Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 129456 | 205443 | 11 | None | 8 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL92421 | 205443 | 11 | None | 8 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 10104167 | 2028 | 1 | None | -1 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 6937 | 2028 | 1 | None | -1 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL3121473 | 2028 | 1 | None | -1 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 42599070 | 15902 | 0 | None | -251 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223804 | 15902 | 0 | None | -251 | 5 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 0 | 3 | 4.1 | CCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 137630848 | 160569 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4061390 | 160569 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117131 | 160569 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 10386 | 160621 | 13 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4092348 | 160621 | 13 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117554 | 160621 | 13 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 2230 | 461 | 55 | None | 3 | 9 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| 296 | 461 | 55 | None | 3 | 9 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL7303 | 461 | 55 | None | 3 | 9 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| DB04365 | 461 | 55 | None | 3 | 9 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/s0960-894x(98)00509-5 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.8b01967 | ||
| 49799920 | 10442 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL1169506 | 10442 | 0 | None | -6 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 11120503 | 4131 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL100163 | 4131 | 0 | None | -16 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 44329977 | 110922 | 0 | None | -10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL327269 | 110922 | 0 | None | -10 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.4 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 44589681 | 184706 | 0 | None | -1 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| CHEMBL485913 | 184706 | 0 | None | -1 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 387 | 5 | 2 | 6 | 1.5 | NC(=O)OCCN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.032 | ||
| 22745278 | 186480 | 1 | None | -5 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| CHEMBL491209 | 186480 | 1 | None | -5 | 5 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 372 | 3 | 1 | 5 | 2.6 | CCOC(=O)N1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2008.09.023 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00050a006 | ||
| 10104047 | 21437 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131777 | 21437 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 122191002 | 123095 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618445 | 123095 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccccc1F | 10.1016/j.bmcl.2015.08.011 | ||
| 170332 | 160429 | 1 | None | -2 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -2 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -2 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 3652 | 4034 | 72 | None | -18 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 57 | 4034 | 72 | None | -18 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 60809 | 4034 | 72 | None | -18 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB15357 | 4034 | 72 | None | -18 | 9 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmcl.2015.08.011 | ||
| 44303017 | 199149 | 0 | None | -19 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL60101 | 199149 | 0 | None | -19 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 42598829 | 15904 | 0 | None | -158 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223806 | 15904 | 0 | None | -158 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 358 | 3 | 0 | 5 | 3.9 | CO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 45786849 | 157263 | 28 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4083241 | 157263 | 28 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44330073 | 206688 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 3.1 | C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL99884 | 206688 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 3.1 | C(#Cc1ccccc1)CSc1nsnc1[C@@H]1CN2CC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 44209166 | 59244 | 0 | None | 7 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 193 | 1 | 0 | 4 | 1.0 | Cc1noc(C2(C)CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL171721 | 59244 | 0 | None | 7 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 193 | 1 | 0 | 4 | 1.0 | Cc1noc(C2(C)CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 44303408 | 200261 | 0 | None | -16 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60777 | 200261 | 0 | None | -16 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 10451242 | 201424 | 0 | None | -218 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL64029 | 201424 | 0 | None | -218 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 122189496 | 122820 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616500 | 122820 | 0 | None | -4 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 499 | 5 | 2 | 3 | 5.4 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 89777356 | 155341 | 0 | None | -72 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4060475 | 155341 | 0 | None | -72 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 353 | 3 | 2 | 6 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 53385782 | 73964 | 0 | None | -56 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| CHEMBL2024331 | 73964 | 0 | None | -56 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 399 | 4 | 1 | 4 | 3.3 | CCOC(=O)N1C2CCC1CC(N1CCC[C@@H](NC(=O)c3ccccc3C)C1)C2 | 10.1016/j.bmcl.2012.03.088 | ||
| 424727 | 160627 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4095774 | 160627 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117601 | 160627 | 2 | None | - | 1 | Human | 4.8 | pEC50 | = | 4.8 | Functional | ChEMBL | 180 | 3 | 0 | 1 | 1.9 | COc1ccccc1C[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 129456 | 205443 | 11 | None | 8 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL92421 | 205443 | 11 | None | 8 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 24967746 | 15879 | 0 | None | -50 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223754 | 15879 | 0 | None | -50 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 403 | 5 | 1 | 4 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)[nH]c4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 9820835 | 116275 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 179 | 2 | 1 | 5 | 0.1 | CCn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL337676 | 116275 | 3 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 179 | 2 | 1 | 5 | 0.1 | CCn1nnc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 9927975 | 4125 | 0 | None | -10 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL100147 | 4125 | 0 | None | -10 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 341 | 3 | 0 | 5 | 3.5 | C(#Cc1ccccc1)CSc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 145973726 | 164078 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| CHEMBL4216213 | 164078 | 0 | None | -36 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 356 | 2 | 1 | 5 | 3.3 | Cc1nnc2sc(C(=O)N3CC(c4cccc(F)c4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.10.053 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 122191003 | 123096 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 509 | 6 | 3 | 3 | 4.9 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618446 | 123096 | 0 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 509 | 6 | 3 | 3 | 4.9 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 137635723 | 155542 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4062934 | 155542 | 0 | None | -2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 411 | 3 | 2 | 9 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(c4nc5cccnc5s4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2012.05.048 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/jm100697g | ||
| 137630667 | 160545 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4100938 | 160545 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116890 | 160545 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 57230548 | 172662 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL4524085 | 172662 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 44330080 | 107234 | 0 | None | -8 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL319109 | 107234 | 0 | None | -8 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 44303018 | 200338 | 0 | None | -218 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60833 | 200338 | 0 | None | -218 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 137631026 | 160603 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4093215 | 160603 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117321 | 160603 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 137628799 | 160446 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4064668 | 160446 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116150 | 160446 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 122189499 | 122821 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616504 | 122821 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 441 | 3 | 2 | 3 | 4.0 | CN1CCCC/C1=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2 | 10.1016/j.bmcl.2015.08.011 | ||
| 10686494 | 100072 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL291351 | 100072 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1016/s0960-894x(98)00509-5 | ||
| 10686494 | 100072 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | ||
| CHEMBL291351 | 100072 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | ||
| 122191007 | 123099 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618449 | 123099 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 449 | 5 | 2 | 3 | 4.5 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(F)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 42598357 | 15929 | 0 | None | -794 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223863 | 15929 | 0 | None | -794 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 383 | 4 | 0 | 6 | 3.8 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598359 | 15930 | 0 | None | -199 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223864 | 15930 | 0 | None | -199 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 436 | 5 | 0 | 7 | 3.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25207745 | 15950 | 0 | None | -251 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223941 | 15950 | 0 | None | -251 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 413 | 6 | 0 | 7 | 3.5 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C#N)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 89777060 | 156579 | 0 | None | -114 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4074908 | 156579 | 0 | None | -114 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 397 | 3 | 2 | 7 | 2.5 | Cc1nnc2sc(C(=O)NC3CN(C(=O)Oc4ccccc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 5487543 | 203933 | 4 | None | -162 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | ||
| CHEMBL81878 | 203933 | 4 | None | -162 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | ||
| 11725107 | 100147 | 0 | None | -134 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL291872 | 100147 | 0 | None | -134 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 137629887 | 160463 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4065555 | 160463 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116259 | 160463 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 10375002 | 23942 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 178 | 2 | 1 | 4 | 0.7 | CCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL133905 | 23942 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 178 | 2 | 1 | 4 | 0.7 | CCn1ncc(C2=CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 44158142 | 188085 | 40 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| CHEMBL503735 | 188085 | 40 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1016/j.bmcl.2009.11.089 | ||
| 5487543 | 203933 | 4 | None | -162 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL81878 | 203933 | 4 | None | -162 | 6 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1016/s0960-894x(98)00509-5 | ||
| 650899 | 54129 | 10 | None | -10 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1535797 | 54129 | 10 | None | -10 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| CHEMBL1609153 | 54129 | 10 | None | -10 | 5 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 319 | 6 | 2 | 4 | 1.6 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1 | nan | ||
| 44158142 | 188085 | 40 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| CHEMBL503735 | 188085 | 40 | None | -1 | 4 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 339 | 2 | 0 | 2 | 4.1 | O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2c(Cl)cccc21 | 10.1021/jm900286j | ||
| 57088082 | 172663 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL4524086 | 172663 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@@H]1CN2CCC[C@@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 53414666 | 158754 | 7 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4099673 | 158754 | 7 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 178030 | 21171 | 27 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 193 | 2 | 0 | 5 | 0.4 | CCn1nnc(C2=CCCN(C)C2)n1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL131428 | 21171 | 27 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 193 | 2 | 0 | 5 | 0.4 | CCn1nnc(C2=CCCN(C)C2)n1 | 10.1016/j.bmcl.2015.08.011 | ||
| 129456 | 205443 | 11 | None | 8 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| CHEMBL92421 | 205443 | 11 | None | 8 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 179 | 1 | 0 | 4 | 0.8 | Cc1noc(C2CN3CCC2C3)n1 | 10.1021/jm00083a016 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 137629935 | 160473 | 0 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | -1 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 122191006 | 123098 | 0 | None | -4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 523 | 6 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618448 | 123098 | 0 | None | -4 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 523 | 6 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)CCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 3652 | 4034 | 72 | None | -18 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 57 | 4034 | 72 | None | -18 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 60809 | 4034 | 72 | None | -18 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| DB15357 | 4034 | 72 | None | -18 | 9 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 42598360 | 15928 | 0 | None | -158 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223862 | 15928 | 0 | None | -158 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 388 | 5 | 0 | 6 | 4.0 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(OC)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 87934 | 97630 | 23 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | ||
| CHEMBL273308 | 97630 | 23 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | ||
| CHEMBL542883 | 97630 | 23 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00050a006 | ||
| 122191004 | 122817 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616497 | 122817 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 521 | 7 | 3 | 4 | 4.7 | COc1ccc(CCN/C(C)=N/c2ccc3c(c2)[C@@H](NC(=O)c2ccc(Br)cc2)[C@H](O)C3)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 122191001 | 123094 | 0 | None | -9 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618444 | 123094 | 0 | None | -9 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1cccc(F)c1 | 10.1016/j.bmcl.2015.08.011 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 647412 | 27112 | 9 | None | -3 | 4 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| CHEMBL1367424 | 27112 | 9 | None | -3 | 4 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 325 | 6 | 2 | 5 | 1.7 | CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1 | nan | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 137639541 | 156162 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4070061 | 156162 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 42598358 | 15926 | 0 | None | -501 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223860 | 15926 | 0 | None | -501 | 5 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44303293 | 199741 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60479 | 199741 | 0 | None | 1 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 53382542 | 85886 | 0 | None | -7 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 85886 | 0 | None | -7 | 6 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 122191005 | 123097 | 0 | None | -3 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618447 | 123097 | 0 | None | -3 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 509 | 5 | 2 | 3 | 5.2 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 10426487 | 2798 | 4 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | ||
| 291 | 2798 | 4 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL99521 | 2798 | 4 | None | -3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 10.1016/s0960-894x(98)00509-5 | ||
| 306 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 3536 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 53930639 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 9577995 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL134641 | 3400 | 18 | None | -1 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmcl.2015.08.011 | ||
| 42598591 | 15901 | 0 | None | -125 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223803 | 15901 | 0 | None | -125 | 5 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 384 | 5 | 0 | 3 | 4.5 | CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42599068 | 15903 | 0 | None | -199 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223805 | 15903 | 0 | None | -199 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 356 | 3 | 0 | 3 | 3.7 | CO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 25230693 | 15949 | 0 | None | -251 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223940 | 15949 | 0 | None | -251 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 402 | 6 | 0 | 6 | 3.9 | COCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 16071018 | 15878 | 15 | None | -112 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL1223753 | 15878 | 15 | None | -112 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 16038385 | 80048 | 0 | None | -10 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL2146598 | 80048 | 0 | None | -10 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 301 | 2 | 1 | 4 | 2.1 | O=c1[nH]c2ccccc2n1C1CCN(C2CCOCC2)CC1 | 10.1021/ml100105x | ||
| 16123945 | 80049 | 8 | None | -125 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| CHEMBL2146599 | 80049 | 8 | None | -125 | 5 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 315 | 2 | 1 | 4 | 2.5 | Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 | 10.1021/ml100105x | ||
| 170332 | 160429 | 1 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 2166 | 3074 | 46 | None | -95 | 8 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| 305 | 3074 | 46 | None | -95 | 8 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| 5910 | 3074 | 46 | None | -95 | 8 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL550 | 3074 | 46 | None | -95 | 8 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| DB01085 | 3074 | 46 | None | -95 | 8 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/s0960-894x(98)00509-5 | ||
| 170332 | 160429 | 1 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -2 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 122189495 | 122819 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616499 | 122819 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 445 | 5 | 2 | 3 | 4.7 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(C)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 122191008 | 123100 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618450 | 123100 | 0 | None | -2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.0 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](O)C2)N(C)Cc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 44303397 | 101818 | 0 | None | -75 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL303360 | 101818 | 0 | None | -75 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 10104047 | 21437 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131777 | 21437 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 10019339 | 102153 | 0 | None | -138 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL304247 | 102153 | 0 | None | -138 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 5441 | 2393 | 5 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 9893054 | 2393 | 5 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3616501 | 2393 | 5 | None | -30 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 507 | 6 | 2 | 3 | 6.1 | O[C@@H]1Cc2c([C@H]1NC(=O)c1ccc(cc1)c1ccccc1)cc(cc2)N=C(N(Cc1ccc(cc1)F)C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 187 | 253 | 34 | None | -2 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 294 | 253 | 34 | None | -2 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 65 | 253 | 34 | None | -2 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 8593 | 253 | 34 | None | -2 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL667 | 253 | 34 | None | -2 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| DB03128 | 253 | 34 | None | -2 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2015.08.011 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00509-5 | ||
| 59654579 | 123090 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618440 | 123090 | 0 | None | -3 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 5 | 3 | 3 | 4.8 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)NCc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 122190994 | 123087 | 0 | None | -14 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL3618436 | 123087 | 0 | None | -14 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 481 | 4 | 3 | 3 | 5.1 | C/C(=N\c1ccc2c(c1)[C@@H](NC(=O)c1ccc(Br)cc1)[C@H](O)C2)Nc1ccc(F)cc1 | 10.1016/j.bmcl.2015.08.011 | ||
| 44303294 | 199471 | 0 | None | -16 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60331 | 199471 | 0 | None | -16 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 170332 | 160429 | 1 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44303286 | 199633 | 0 | None | -48 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| CHEMBL60419 | 199633 | 0 | None | -48 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| 44303286 | 199633 | 0 | None | -48 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL60419 | 199633 | 0 | None | -48 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1016/s0960-894x(98)00509-5 | ||
| 170332 | 160429 | 1 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | -2 | 3 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44253016 | 80047 | 2 | None | -6 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | ||
| CHEMBL2146597 | 80047 | 2 | None | -6 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 299 | 2 | 1 | 3 | 3.3 | O=c1[nH]c2ccccc2n1C1CCN(C2CCCCC2)CC1 | 10.1021/ml100105x | ||
| 44303019 | 100479 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL294082 | 100479 | 0 | None | -79 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 16071018 | 15878 | 15 | None | -112 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223753 | 15878 | 15 | None | -112 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 2 | 1 | 4 | 2.6 | Cc1cc2c(cc1F)[nH]c(=O)n2C1CCN(C2CCOCC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42598828 | 15927 | 0 | None | -630 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223861 | 15927 | 0 | None | -630 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 390 | 4 | 0 | 5 | 4.4 | CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 42599071 | 15948 | 0 | None | -316 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| CHEMBL1223939 | 15948 | 0 | None | -316 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 450 | 6 | 0 | 7 | 3.8 | CCCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 | 10.1016/j.bmcl.2010.07.097 | ||
| 9883040 | 100071 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL291339 | 100071 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL542622 | 100071 | 0 | None | -7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 44303396 | 199551 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL60374 | 199551 | 0 | None | 1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 118500 | 156457 | 57 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4073256 | 156457 | 57 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44303323 | 162691 | 0 | None | -18 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL418491 | 162691 | 0 | None | -18 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 10104047 | 21437 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| CHEMBL131777 | 21437 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 192 | 3 | 1 | 4 | 0.9 | C=CCn1ncc(C2CCCNC2)n1 | 10.1021/jm00050a006 | ||
| 71792 | 77998 | 32 | None | -2 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| CHEMBL2111051 | 77998 | 32 | None | -2 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 165 | 2 | 0 | 2 | 0.7 | C#CCO[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.08.011 | ||
| 44303327 | 162461 | 0 | None | -31 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| CHEMBL417560 | 162461 | 0 | None | -31 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44330081 | 206422 | 0 | None | -17 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| CHEMBL98255 | 206422 | 0 | None | -17 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 325 | 3 | 0 | 5 | 2.8 | C(#Cc1ccccc1)COc1nsnc1[C@H]1CN2CCC[C@H]1C2 | 10.1016/s0960-894x(98)00509-5 | ||
| 44303314 | 100466 | 0 | None | -363 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL293982 | 100466 | 0 | None | -363 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 137629744 | 160628 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4071109 | 160628 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117602 | 160628 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 644390 | 40171 | 6 | None | -3 | 4 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| CHEMBL1482157 | 40171 | 6 | None | -3 | 4 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 353 | 6 | 2 | 4 | 2.3 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1 | nan | ||
| 25010776 | 55664 | 1 | None | -44 | 5 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1559151 | 55664 | 1 | None | -44 | 5 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| CHEMBL1624037 | 55664 | 1 | None | -44 | 5 | Human | 4.0 | pEC50 | = | 4.0 | Functional | ChEMBL | 333 | 6 | 2 | 4 | 1.9 | CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2C)CC1 | nan | ||
| 137646732 | 157250 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| CHEMBL4083081 | 157250 | 0 | None | -12 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 422 | 3 | 2 | 7 | 2.9 | Cc1nnc2sc(C(=O)NC3CN(c4ccc(C(F)(F)F)nc4)C3)c(N)c2c1C | 10.1016/j.bmcl.2017.05.014 | ||
| 75356563 | 156415 | 20 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4072787 | 156415 | 20 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44372610 | 52263 | 0 | None | 181 | 2 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL159208 | 52263 | 0 | None | 181 | 2 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| 44372301 | 49533 | 0 | None | 40 | 2 | Human | 8.7 | pED50 | = | 8.7 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156749 | 49533 | 0 | None | 40 | 2 | Human | 8.7 | pED50 | = | 8.7 | Functional | ChEMBL | 340 | 5 | 0 | 5 | 2.7 | COc1ccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)cc1OC | 10.1016/0960-894X(95)00087-A | ||
| 44372633 | 50037 | 0 | None | -1 | 2 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL157197 | 50037 | 0 | None | -1 | 2 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| 44372232 | 119315 | 0 | None | - | 0 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL348412 | 119315 | 0 | None | - | 0 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 10058744 | 204657 | 0 | None | 1 | 2 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL87622 | 204657 | 0 | None | 1 | 2 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372253 | 49740 | 0 | None | 21 | 2 | Human | 7.9 | pED50 | = | 7.9 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156925 | 49740 | 0 | None | 21 | 2 | Human | 7.9 | pED50 | = | 7.9 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 9795428 | 96041 | 4 | None | -30 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL262455 | 96041 | 4 | None | -30 | 5 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CC[C@@H]2C3)c1 | 10.1021/jm960683m | ||
| 5487543 | 203933 | 4 | None | -162 | 6 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 203933 | 4 | None | -162 | 6 | Human | 5.9 | pED50 | = | 5.9 | Functional | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 10266025 | 119661 | 0 | None | - | 0 | Human | 8.6 | pED50 | = | 8.6 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL351561 | 119661 | 0 | None | - | 0 | Human | 8.6 | pED50 | = | 8.6 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372580 | 119276 | 0 | None | - | 0 | Human | 8.6 | pED50 | = | 8.6 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL348079 | 119276 | 0 | None | - | 0 | Human | 8.6 | pED50 | = | 8.6 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372492 | 155183 | 0 | None | - | 0 | Human | 8.6 | pED50 | = | 8.6 | Functional | ChEMBL | 314 | 3 | 0 | 3 | 3.3 | C/C(C#Cc1ccc(Cl)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL405426 | 155183 | 0 | None | - | 0 | Human | 8.6 | pED50 | = | 8.6 | Functional | ChEMBL | 314 | 3 | 0 | 3 | 3.3 | C/C(C#Cc1ccc(Cl)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/0960-894X(95)00087-A | ||
| 10420458 | 204545 | 0 | None | 7 | 2 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL86903 | 204545 | 0 | None | 7 | 2 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372591 | 54060 | 0 | None | -60 | 2 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL160858 | 54060 | 0 | None | -60 | 2 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 286 | 3 | 0 | 4 | 2.8 | C/C(C#Cc1cccs1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372290 | 54166 | 0 | None | -5 | 2 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL160939 | 54166 | 0 | None | -5 | 2 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 6.6 | pED50 | = | 6.6 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm960683m | ||
| 44372254 | 53682 | 0 | None | - | 1 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL160554 | 53682 | 0 | None | - | 1 | Human | 7.6 | pED50 | = | 7.6 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2/CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 10086044 | 48713 | 0 | None | 6 | 2 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156050 | 48713 | 0 | None | 6 | 2 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C/CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 9903828 | 118988 | 0 | None | 28 | 2 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL345415 | 118988 | 0 | None | 28 | 2 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372506 | 118964 | 0 | None | 19 | 2 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL345205 | 118964 | 0 | None | 19 | 2 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 294 | 3 | 0 | 3 | 3.0 | C/C(C#Cc1ccc(C)cc1)=C/CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372278 | 49145 | 0 | None | 11 | 2 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL156445 | 49145 | 0 | None | 11 | 2 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 44372277 | 167800 | 0 | None | - | 0 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL434469 | 167800 | 0 | None | - | 0 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1cccc(C#C/C(C)=C/CO/N=C2\CN3CCC2C3)c1 | 10.1016/0960-894X(95)00087-A | ||
| 10242016 | 167736 | 0 | None | - | 0 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL434072 | 167736 | 0 | None | - | 0 | Human | 7.4 | pED50 | = | 7.4 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372289 | 118971 | 0 | None | -2 | 2 | Human | 6.3 | pED50 | = | 6.3 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL345250 | 118971 | 0 | None | -2 | 2 | Human | 6.3 | pED50 | = | 6.3 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1/CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44213237 | 101451 | 0 | None | - | 0 | Human | 6.2 | pED50 | = | 6.2 | Functional | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL300998 | 101451 | 0 | None | - | 0 | Human | 6.2 | pED50 | = | 6.2 | Functional | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 44372647 | 119515 | 0 | None | -1 | 2 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL350223 | 119515 | 0 | None | -1 | 2 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 310 | 4 | 0 | 4 | 2.7 | COc1ccc(C#C/C(C)=C\CO/N=C2\CN3CCC2C3)cc1 | 10.1016/0960-894X(95)00087-A | ||
| 44371814 | 51124 | 0 | None | 3 | 2 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL158180 | 51124 | 0 | None | 3 | 2 | Human | 8.0 | pED50 | = | 8.0 | Functional | ChEMBL | 298 | 3 | 0 | 3 | 2.8 | C/C(C#Cc1ccc(F)cc1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 44372452 | 119118 | 0 | None | - | 0 | Human | 6.0 | pED50 | = | 6.0 | Functional | ChEMBL | 348 | 3 | 0 | 3 | 4.0 | C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| CHEMBL346580 | 119118 | 0 | None | - | 0 | Human | 6.0 | pED50 | = | 6.0 | Functional | ChEMBL | 348 | 3 | 0 | 3 | 4.0 | C/C(C#Cc1ccc(Cl)c(Cl)c1)=C\CO/N=C1\CN2CCC1C2 | 10.1016/0960-894X(95)00087-A | ||
| 9913341 | 81746 | 3 | None | 28 | 3 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 81746 | 3 | None | 28 | 3 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 81746 | 3 | None | 28 | 3 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 44590172 | 169750 | 0 | None | 1 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL444688 | 169750 | 0 | None | 1 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL527216 | 169750 | 0 | None | 1 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 591 | 10 | 3 | 6 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590171 | 178171 | 0 | None | 1 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL468609 | 178171 | 0 | None | 1 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL554632 | 178171 | 0 | None | 1 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 587 | 10 | 3 | 6 | 4.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590176 | 188477 | 0 | None | 3 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL509614 | 188477 | 0 | None | 3 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555707 | 188477 | 0 | None | 3 | 3 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 4.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 155566290 | 176006 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 11690968 | 106019 | 0 | None | -5 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085072 | 106019 | 0 | None | -5 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140185 | 106019 | 0 | None | -5 | 3 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 44590179 | 172148 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL450538 | 172148 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553446 | 172148 | 0 | None | 1 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590167 | 178446 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 10 | 4 | 6 | 2.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL471214 | 178446 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 10 | 4 | 6 | 2.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589495 | 185398 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.8 | CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL486982 | 185398 | 0 | None | -10 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.8 | CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590122 | 191961 | 0 | None | -15 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 555 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C#N)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL521244 | 191961 | 0 | None | -15 | 3 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 555 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C#N)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 16125400 | 84240 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 494 | 6 | 1 | 2 | 4.5 | C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222449 | 84240 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 494 | 6 | 1 | 2 | 4.5 | C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 76313456 | 106027 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085066 | 106027 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140216 | 106027 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| 162675053 | 182676 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4796491 | 182676 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 71455968 | 83512 | 0 | None | -2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206599 | 83512 | 0 | None | -2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 10397133 | 106579 | 1 | None | 1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL315676 | 106579 | 1 | None | 1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71716773 | 86139 | 0 | None | 2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315680 | 86139 | 0 | None | 2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 162353372 | 180805 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763422 | 180805 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 71463135 | 83520 | 0 | None | -2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 607 | 12 | 4 | 5 | 5.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206607 | 83520 | 0 | None | -2 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 607 | 12 | 4 | 5 | 5.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71716773 | 86139 | 0 | None | 2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL2315680 | 86139 | 0 | None | 2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 428 | 4 | 1 | 5 | 2.9 | CCOC(=O)N1CCC(N2CCC[C@@H](NC(=O)c3ccc(C(F)(F)F)nc3)C2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 109018479 | 181236 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4778178 | 181236 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| 76327901 | 103020 | 0 | None | 1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085084 | 103020 | 0 | None | 1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 | 10.1016/j.bmcl.2007.09.071 | ||
| 44233675 | 102903 | 0 | None | -11 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 5 | 0 | 1 | 6.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084639 | 102903 | 0 | None | -11 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 5 | 0 | 1 | 6.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 11518068 | 106024 | 0 | None | -5 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085059 | 106024 | 0 | None | -5 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140213 | 106024 | 0 | None | -5 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 44590180 | 172077 | 0 | None | 1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL449640 | 172077 | 0 | None | 1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540398 | 172077 | 0 | None | 1 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 641 | 10 | 3 | 6 | 5.2 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590175 | 188047 | 0 | None | 3 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL503025 | 188047 | 0 | None | 3 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553433 | 188047 | 0 | None | 3 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 598 | 10 | 3 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 52176747 | 158485 | 1 | None | -2 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096727 | 158485 | 1 | None | -2 | 8 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 162353379 | 180380 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758449 | 180380 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 25034111 | 192815 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL526009 | 192815 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 44590123 | 183278 | 0 | None | -15 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 564 | 10 | 4 | 6 | 4.3 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL480877 | 183278 | 0 | None | -15 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 564 | 10 | 4 | 6 | 4.3 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 25034111 | 192815 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL526009 | 192815 | 0 | None | -7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589497 | 174721 | 0 | None | -5 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 574 | 11 | 5 | 7 | 4.0 | CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL457302 | 174721 | 0 | None | -5 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 574 | 11 | 5 | 7 | 4.0 | CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44233417 | 85619 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2307674 | 85619 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10092649 | 192471 | 51 | None | -16 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -16 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 10092649 | 192471 | 51 | None | -16 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -16 | 11 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 290 | 2438 | 4 | None | -21 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 4022 | 2438 | 4 | None | -21 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 5926 | 2438 | 4 | None | -21 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL40554 | 2438 | 4 | None | -21 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL74300 | 2438 | 4 | None | -21 | 5 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80538-7 | ||
| 71450616 | 83519 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 591 | 11 | 4 | 5 | 4.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206606 | 83519 | 0 | None | -2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 591 | 11 | 4 | 5 | 4.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 11503336 | 106032 | 0 | None | -5 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085071 | 106032 | 0 | None | -5 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140242 | 106032 | 0 | None | -5 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 76309756 | 103019 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 375 | 4 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085083 | 103019 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 375 | 4 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 76313457 | 103016 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085080 | 103016 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 380 | 5 | 0 | 4 | 4.5 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 13940563 | 204311 | 5 | None | 5 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 182 | 2 | 0 | 3 | -0.3 | CN(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL8510 | 204311 | 5 | None | 5 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 182 | 2 | 0 | 3 | -0.3 | CN(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| 162353393 | 178859 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4740422 | 178859 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| 16664965 | 84478 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 462 | 6 | 1 | 1 | 4.7 | C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL223668 | 84478 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 462 | 6 | 1 | 1 | 4.7 | C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 76320693 | 103018 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085082 | 103018 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 109035013 | 179893 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752973 | 179893 | 1 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| 76309755 | 103014 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085079 | 103014 | 0 | None | -1 | 3 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 76320692 | 106026 | 0 | None | -5 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085065 | 106026 | 0 | None | -5 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140215 | 106026 | 0 | None | -5 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 390 | 4 | 0 | 3 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71459691 | 83518 | 0 | None | 5 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 723 | 14 | 4 | 5 | 8.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206605 | 83518 | 0 | None | 5 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 723 | 14 | 4 | 5 | 8.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 44590170 | 187787 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL501348 | 187787 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553431 | 187787 | 0 | None | 1 | 3 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 588 | 10 | 4 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 109032820 | 182293 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4791819 | 182293 | 1 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353369 | 180213 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756442 | 180213 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44232953 | 102916 | 0 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 7 | 2 | 2 | 4.6 | CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084663 | 102916 | 0 | None | -1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 405 | 7 | 2 | 2 | 4.6 | CCNC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| 15681301 | 119814 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 178 | 3 | 0 | 3 | 0.7 | C#CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL352832 | 119814 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 178 | 3 | 0 | 3 | 0.7 | C#CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 15945874 | 188179 | 0 | None | -7 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL505452 | 188179 | 0 | None | -7 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 15945874 | 188179 | 0 | None | -7 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL505452 | 188179 | 0 | None | -7 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589984 | 189964 | 0 | None | -7 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL518001 | 189964 | 0 | None | -7 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590035 | 191158 | 0 | None | -3 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL519760 | 191158 | 0 | None | -3 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 25034180 | 187828 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL502000 | 187828 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 44589571 | 172018 | 0 | None | -10 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 580 | 11 | 5 | 6 | 3.5 | N#Cc1ccc(CN2CCC(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)NCC4CC4)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL448904 | 172018 | 0 | None | -10 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 580 | 11 | 5 | 6 | 3.5 | N#Cc1ccc(CN2CCC(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)NCC4CC4)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589570 | 172188 | 0 | None | -15 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 568 | 10 | 5 | 6 | 3.5 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(C#N)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL451040 | 172188 | 0 | None | -15 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 568 | 10 | 5 | 6 | 3.5 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(C#N)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 10465524 | 58687 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C=CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL169011 | 58687 | 0 | None | -1 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C=CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 137630050 | 160493 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137408729 | 190148 | 0 | None | -870 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5182783 | 190148 | 0 | None | -870 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 444 | 6 | 1 | 5 | 4.9 | Fc1ccc(Cl)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 15681299 | 119973 | 0 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 180 | 2 | 0 | 3 | 1.2 | C1CC(O/N=C2\CN3CCC2C3)C1 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL354259 | 119973 | 0 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 180 | 2 | 0 | 3 | 1.2 | C1CC(O/N=C2\CN3CCC2C3)C1 | 10.1016/S0960-894X(00)80538-7 | ||
| 156015978 | 177748 | 0 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 10397356 | 120204 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL354738 | 120204 | 0 | None | 1 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | CC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 137630050 | 160493 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 162353388 | 180397 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758633 | 180397 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| 71459689 | 83502 | 0 | None | 1 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 595 | 13 | 4 | 5 | 5.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206585 | 83502 | 0 | None | 1 | 3 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 595 | 13 | 4 | 5 | 5.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 168276820 | 189513 | 0 | None | -63 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5172967 | 189513 | 0 | None | -63 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5208649 | 189513 | 0 | None | -63 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 71454215 | 83511 | 0 | None | -3 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 714 | 13 | 4 | 6 | 6.5 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206595 | 83511 | 0 | None | -3 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 714 | 13 | 4 | 6 | 6.5 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 109013312 | 179554 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748774 | 179554 | 1 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 162658112 | 180489 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4759774 | 180489 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 11602980 | 103027 | 0 | None | -2 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 362 | 4 | 0 | 5 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085091 | 103027 | 0 | None | -2 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 362 | 4 | 0 | 5 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 76324336 | 103022 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085086 | 103022 | 0 | None | -1 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 162353384 | 180508 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760037 | 180508 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 71452455 | 83505 | 0 | None | -3 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 565 | 9 | 3 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206588 | 83505 | 0 | None | -3 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 565 | 9 | 3 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 44590125 | 183279 | 0 | None | -12 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 530 | 10 | 4 | 6 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL480878 | 183279 | 0 | None | -12 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 530 | 10 | 4 | 6 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590036 | 187793 | 0 | None | -6 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 574 | 10 | 4 | 8 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL501419 | 187793 | 0 | None | -6 | 3 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 574 | 10 | 4 | 8 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 152278786 | 182170 | 0 | None | -117 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182170 | 0 | None | -117 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162646559 | 179060 | 0 | None | -154 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4742997 | 179060 | 0 | None | -154 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 25034112 | 187809 | 0 | None | -1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL501727 | 187809 | 0 | None | -1 | 3 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 44589585 | 188305 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL507375 | 188305 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555474 | 188305 | 0 | None | -1 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 577 | 10 | 4 | 5 | 4.4 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590177 | 188335 | 0 | None | 3 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL507874 | 188335 | 0 | None | 3 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL554918 | 188335 | 0 | None | 3 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 677 | 12 | 3 | 7 | 5.1 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 163938 | 106435 | 13 | None | 316 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL314737 | 106435 | 13 | None | 316 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 180 | 1 | 1 | 5 | 0.1 | Nc1noc(C2CN3CCC2C3)n1 | 10.1016/S0960-894X(00)80538-7 | ||
| 152278786 | 182170 | 0 | None | -117 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4790083 | 182170 | 0 | None | -117 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 5 | 0 | 8 | 2.6 | N#Cc1ccc(N2C3CCC2CN(C(=O)CCS(=O)(=O)c2cccc4ncsc24)C3)nc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 162353375 | 179315 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745885 | 179315 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 10262405 | 57292 | 0 | None | -2 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 1.5 | CCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166782 | 57292 | 0 | None | -2 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 206 | 3 | 0 | 3 | 1.5 | CCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44234194 | 102921 | 0 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084670 | 102921 | 0 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 412 | 7 | 1 | 3 | 3.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10262466 | 97892 | 0 | None | -10 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL275104 | 97892 | 0 | None | -10 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 76324335 | 103017 | 0 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085081 | 103017 | 0 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 428 | 4 | 0 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 10399393 | 204072 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL83074 | 204072 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 162658421 | 180519 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760150 | 180519 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 156015807 | 177724 | 0 | None | 1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 76324334 | 105995 | 0 | None | -15 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085070 | 105995 | 0 | None | -15 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140112 | 105995 | 0 | None | -15 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 369 | 4 | 0 | 3 | 4.5 | Cc1ccoc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 156015978 | 177748 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 138578683 | 184220 | 0 | None | -1318 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4851711 | 184220 | 0 | None | -1318 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccccc1-c1ccc(N[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)nn1 | 10.1021/acsmedchemlett.1c00363 | ||
| 44265375 | 204427 | 0 | None | -3 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL8610 | 204427 | 0 | None | -3 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 162353386 | 180398 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758635 | 180398 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 44233189 | 102926 | 0 | None | 1 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 5 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084678 | 102926 | 0 | None | 1 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 349 | 5 | 1 | 2 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 162667844 | 181951 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787283 | 181951 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44418764 | 81747 | 0 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 81747 | 0 | None | -1 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 44590033 | 183096 | 0 | None | -12 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL480299 | 183096 | 0 | None | -12 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590166 | 188827 | 0 | None | -3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 468 | 9 | 4 | 6 | 2.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL513228 | 188827 | 0 | None | -3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 468 | 9 | 4 | 6 | 2.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 76316970 | 103011 | 0 | None | -3 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 350 | 4 | 0 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085076 | 103011 | 0 | None | -3 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 350 | 4 | 0 | 3 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 10220392 | 204287 | 0 | None | -6 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL84893 | 204287 | 0 | None | -6 | 2 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 11508710 | 103025 | 0 | None | -1 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085089 | 103025 | 0 | None | -1 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 156493644 | 184479 | 0 | None | -1737 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4855467 | 184479 | 0 | None | -1737 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 435 | 6 | 2 | 6 | 3.7 | CC(=O)Nc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 156493614 | 184818 | 0 | None | -338 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4860985 | 184818 | 0 | None | -338 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 168272462 | 189571 | 0 | None | -51 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5173887 | 189571 | 0 | None | -51 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 428 | 6 | 1 | 5 | 4.4 | Fc1ccc(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 137630050 | 160493 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 46830362 | 7812 | 0 | None | -5 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1090097 | 7812 | 0 | None | -5 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 479 | 4 | 1 | 3 | 5.8 | CCN1CCN(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3C(F)(F)F)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 76331543 | 103028 | 0 | None | -2 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 362 | 4 | 0 | 4 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085092 | 103028 | 0 | None | -2 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 362 | 4 | 0 | 4 | 4.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 138578326 | 185646 | 0 | None | -870 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4861863 | 185646 | 0 | None | -870 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873386 | 185646 | 0 | None | -870 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 9990434 | 105858 | 0 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL313918 | 105858 | 0 | None | 1 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44455159 | 97316 | 0 | None | -25 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL271704 | 97316 | 0 | None | -25 | 5 | Rat | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 383 | 5 | 1 | 3 | 4.2 | CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 46682613 | 180574 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760823 | 180574 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353378 | 182329 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4792360 | 182329 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44590174 | 169490 | 0 | None | 3 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL444300 | 169490 | 0 | None | 3 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL466271 | 169490 | 0 | None | 3 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 10 | 3 | 6 | 4.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590178 | 172169 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL450781 | 172169 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540400 | 172169 | 0 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 11583262 | 106015 | 0 | None | -11 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085060 | 106015 | 0 | None | -11 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140181 | 106015 | 0 | None | -11 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 371 | 4 | 0 | 3 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 156493565 | 184403 | 0 | None | -1318 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4854289 | 184403 | 0 | None | -1318 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 396 | 5 | 1 | 5 | 3.8 | Fc1cccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 168276820 | 189513 | 0 | None | -63 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5172967 | 189513 | 0 | None | -63 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5208649 | 189513 | 0 | None | -63 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 446 | 6 | 1 | 5 | 4.5 | Fc1cc(F)c(F)c(-c2ccc(NC[C@@H]3CC34CCN(CC3CCOCC3)CC4)nn2)c1 | 10.1016/j.bmcl.2021.128479 | ||
| 10058347 | 105451 | 0 | None | -2 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL312823 | 105451 | 0 | None | -2 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71450615 | 83517 | 0 | None | -1 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 609 | 14 | 4 | 5 | 5.5 | CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206604 | 83517 | 0 | None | -1 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 609 | 14 | 4 | 5 | 5.5 | CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(C(=O)OC(C)C)cc1)Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 11819427 | 57248 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 168 | 2 | 0 | 3 | 1.1 | CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166423 | 57248 | 0 | None | -1 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 168 | 2 | 0 | 3 | 1.1 | CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 47358375 | 180180 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756164 | 180180 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 11584660 | 92836 | 7 | None | -1 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| CHEMBL244946 | 92836 | 7 | None | -1 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 537 | 7 | 0 | 8 | 5.6 | Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2n1 | 10.1021/jm0705612 | ||
| 44590182 | 182569 | 0 | None | -12 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 532 | 9 | 5 | 7 | 3.0 | COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL479526 | 182569 | 0 | None | -12 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 532 | 9 | 5 | 7 | 3.0 | COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590034 | 189384 | 0 | None | -12 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL517087 | 189384 | 0 | None | -12 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 560 | 11 | 4 | 7 | 3.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 16094791 | 82844 | 0 | None | -3 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 82844 | 0 | None | -3 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 162353374 | 179463 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747590 | 179463 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 138578970 | 185085 | 0 | None | -1862 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4864914 | 185085 | 0 | None | -1862 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 414 | 5 | 1 | 5 | 4.0 | Fc1ccc(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 71452456 | 83522 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 525 | 10 | 4 | 5 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206609 | 83522 | 0 | None | -2 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 525 | 10 | 4 | 5 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 122203596 | 155265 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137637944 | 155274 | 0 | None | -3 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4059829 | 155274 | 0 | None | -3 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 450 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 71450617 | 83523 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 527 | 12 | 4 | 5 | 4.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206610 | 83523 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 527 | 12 | 4 | 5 | 4.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 162353382 | 181152 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777127 | 181152 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| 11626847 | 105994 | 0 | None | -9 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085068 | 105994 | 0 | None | -9 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140111 | 105994 | 0 | None | -9 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(00)80538-7 | ||
| 10092649 | 192471 | 51 | None | -43 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -43 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 44233419 | 102924 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 376 | 6 | 1 | 2 | 4.4 | CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084674 | 102924 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 376 | 6 | 1 | 2 | 4.4 | CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2009.07.006 | ||
| 10092649 | 192471 | 51 | None | -43 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| CHEMBL522460 | 192471 | 51 | None | -43 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1016/j.bmcl.2012.10.132 | ||
| 164606754 | 184119 | 5 | None | -954 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184119 | 5 | None | -954 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184119 | 5 | None | -954 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 138578253 | 185873 | 0 | None | -1230 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4876599 | 185873 | 0 | None | -1230 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 378 | 5 | 1 | 5 | 3.7 | c1ccc(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)cc1 | 10.1021/acsmedchemlett.1c00363 | ||
| 24882532 | 94674 | 0 | None | -7 | 4 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 94674 | 0 | None | -7 | 4 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 137638270 | 156335 | 0 | None | -3 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4071900 | 156335 | 0 | None | -3 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 434 | 4 | 0 | 8 | 2.2 | Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 | 10.1016/j.bmcl.2017.05.042 | ||
| 137647734 | 157304 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4083681 | 157304 | 0 | None | -2 | 5 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 448 | 4 | 0 | 5 | 4.7 | O=C(C1CCN(c2cc(Oc3ccc(Cl)cc3)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 156016041 | 177672 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 122203596 | 155265 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 76327903 | 103029 | 0 | None | -4 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 381 | 4 | 0 | 5 | 4.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085093 | 103029 | 0 | None | -4 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 381 | 4 | 0 | 5 | 4.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccc(C#N)cc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 69444105 | 103012 | 0 | None | -1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085077 | 103012 | 0 | None | -1 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 156015807 | 177724 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 137655063 | 158427 | 0 | None | -3 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096143 | 158427 | 0 | None | -3 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 432 | 4 | 0 | 5 | 4.2 | O=C(C1CCN(c2cc(Oc3ccccc3F)ncn2)CC1)N1CCc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 11552174 | 103026 | 0 | None | -3 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085090 | 103026 | 0 | None | -3 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 44589583 | 171914 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL448294 | 171914 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555471 | 171914 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 561 | 10 | 5 | 6 | 3.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590168 | 172160 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL450652 | 172160 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540399 | 172160 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 589 | 10 | 4 | 7 | 3.6 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589584 | 188193 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL505651 | 188193 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540144 | 188193 | 0 | None | -6 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 563 | 10 | 4 | 5 | 4.0 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 16094788 | 141383 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141383 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 162353381 | 179449 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747438 | 179449 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 44589498 | 172189 | 0 | None | -3 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 572 | 11 | 5 | 7 | 3.8 | O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL451043 | 172189 | 0 | None | -3 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 572 | 11 | 5 | 7 | 3.8 | O=C(Nc1ccc(C(=O)OCC2CC2)cc1)N[C@@H](Cc1ccc(O)cc1)C(=O)NC1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| 10419574 | 57789 | 0 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL167438 | 57789 | 0 | None | 2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 168 | 3 | 0 | 3 | 1.1 | CCCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 76327900 | 106001 | 0 | None | -12 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085061 | 106001 | 0 | None | -12 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140142 | 106001 | 0 | None | -12 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71457771 | 83515 | 0 | None | -5 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 691 | 14 | 4 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206602 | 83515 | 0 | None | -5 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 691 | 14 | 4 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 76320694 | 103021 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085085 | 103021 | 0 | None | -1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 370 | 4 | 0 | 4 | 4.8 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| 71454213 | 83508 | 0 | None | 11 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 723 | 11 | 3 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCc4ccccc4C3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206591 | 83508 | 0 | None | 11 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 723 | 11 | 3 | 5 | 7.0 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCc4ccccc4C3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71450662 | 83592 | 0 | None | 1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 611 | 13 | 4 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2207176 | 83592 | 0 | None | 1 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 611 | 13 | 4 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 162649767 | 179522 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748337 | 179522 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 71452454 | 83504 | 0 | None | -41 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 603 | 9 | 3 | 7 | 3.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4c(c3)OCO4)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206587 | 83504 | 0 | None | -41 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 603 | 9 | 3 | 7 | 3.9 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4c(c3)OCO4)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 54816802 | 180690 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762056 | 180690 | 2 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 10081053 | 57266 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 182 | 1 | 0 | 3 | 1.5 | CC(C)(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166593 | 57266 | 0 | None | -1 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 182 | 1 | 0 | 3 | 1.5 | CC(C)(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44233187 | 85598 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 474 | 8 | 1 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2306159 | 85598 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 474 | 8 | 1 | 3 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 76327902 | 103024 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 354 | 4 | 0 | 4 | 4.4 | Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085088 | 103024 | 0 | None | -1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 354 | 4 | 0 | 4 | 4.4 | Cc1ccoc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 164606754 | 184119 | 5 | None | -954 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4850236 | 184119 | 5 | None | -954 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873617 | 184119 | 5 | None | -954 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 4.1 | Fc1cc(F)c(F)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 109035056 | 180741 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762755 | 180741 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| 11619198 | 106009 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085058 | 106009 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140170 | 106009 | 0 | None | -10 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 365 | 4 | 0 | 2 | 4.6 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 156015153 | 177732 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 162353371 | 181068 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4775999 | 181068 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 16040727 | 168876 | 0 | None | 2 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL442672 | 168876 | 0 | None | 2 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL495102 | 168876 | 0 | None | 2 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 649 | 11 | 3 | 6 | 5.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590169 | 187660 | 0 | None | 7 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL499565 | 187660 | 0 | None | 7 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL539885 | 187660 | 0 | None | 7 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 603 | 11 | 3 | 7 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44590181 | 172992 | 0 | None | 12 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL453248 | 172992 | 0 | None | 12 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL551113 | 172992 | 0 | None | 12 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 633 | 12 | 3 | 8 | 3.9 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 25034110 | 188180 | 0 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL505453 | 188180 | 0 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 546 | 10 | 5 | 7 | 3.4 | CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1021/jm800634k | ||
| 10376012 | 58425 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168561 | 58425 | 0 | None | 1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 216 | 2 | 0 | 3 | 1.1 | CC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 76320690 | 105979 | 0 | None | -2 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085063 | 105979 | 0 | None | -2 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140092 | 105979 | 0 | None | -2 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccc(Br)c1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 137654353 | 158470 | 0 | None | -1 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| CHEMBL4096589 | 158470 | 0 | None | -1 | 6 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 436 | 4 | 0 | 5 | 4.3 | O=C(C1CCN(c2cc(Oc3ccc(F)cc3F)ncn2)CC1)N1Cc2ccccc2C1 | 10.1016/j.bmcl.2017.04.009 | ||
| 2986945 | 94612 | 7 | None | -47 | 5 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255169 | 94612 | 7 | None | -47 | 5 | Rat | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 371 | 6 | 1 | 3 | 4.1 | CCN1CCN(c2ccc(NC(=O)CCc3ccccc3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 2904292 | 182998 | 13 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 306 | 2 | 0 | 3 | 4.3 | CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4800495 | 182998 | 13 | None | - | 1 | Human | 4.3 | pIC50 | = | 4.3 | Functional | ChEMBL | 306 | 2 | 0 | 3 | 4.3 | CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 15681300 | 57259 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | C#CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL166537 | 57259 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 178 | 2 | 0 | 3 | 0.7 | C#CC(C)O/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 11510358 | 106002 | 0 | None | -4 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085069 | 106002 | 0 | None | -4 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140143 | 106002 | 0 | None | -4 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 355 | 4 | 0 | 3 | 4.2 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 58975257 | 102902 | 0 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 377 | 6 | 2 | 2 | 3.9 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084638 | 102902 | 0 | None | -1 | 3 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 377 | 6 | 2 | 2 | 3.9 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 36014865 | 182088 | 2 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4789054 | 182088 | 2 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| 44233928 | 85647 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 5.6 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2308786 | 85647 | 0 | None | 1 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 438 | 7 | 1 | 2 | 5.6 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 71455969 | 83516 | 0 | None | -3 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 581 | 12 | 4 | 5 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206603 | 83516 | 0 | None | -3 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 581 | 12 | 4 | 5 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 11547053 | 105984 | 0 | None | -9 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085074 | 105984 | 0 | None | -9 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140097 | 105984 | 0 | None | -9 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 377 | 4 | 0 | 3 | 5.0 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71454217 | 83514 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 551 | 9 | 3 | 5 | 4.3 | CC[N+]1(C2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2)CCCC1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206601 | 83514 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 551 | 9 | 3 | 5 | 4.3 | CC[N+]1(C2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)CC2)CCCC1 | 10.1016/j.bmcl.2012.09.085 | ||
| 109014373 | 179222 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4744856 | 179222 | 1 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 156016041 | 177672 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 71455966 | 83507 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 675 | 11 | 3 | 5 | 6.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206590 | 83507 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 675 | 11 | 3 | 5 | 6.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC3CCCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 52176747 | 158485 | 1 | None | -13 | 8 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| CHEMBL4096727 | 158485 | 1 | None | -13 | 8 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 435 | 4 | 0 | 6 | 3.0 | C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 | 10.1016/j.bmcl.2017.05.042 | ||
| 15681303 | 58681 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 0.3 | COCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168991 | 58681 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 0.3 | COCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 44590173 | 188502 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL510029 | 188502 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555019 | 188502 | 0 | None | 1 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 607 | 10 | 3 | 6 | 4.5 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4c(c3)OCO4)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 156015153 | 177732 | 0 | None | 1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 11712408 | 106040 | 0 | None | -3 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085067 | 106040 | 0 | None | -3 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140261 | 106040 | 0 | None | -3 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 385 | 4 | 0 | 3 | 5.0 | Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)s1 | 10.1016/j.bmcl.2007.09.071 | ||
| 108993425 | 181176 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777543 | 181176 | 1 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 168289751 | 191214 | 0 | None | -47 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | ||
| CHEMBL5198423 | 191214 | 0 | None | -47 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 446 | 6 | 1 | 7 | 4.0 | Cn1cc2cc(-c3ccc(NC[C@@H]4CC45CCN(CC4CCOCC4)CC5)nn3)ccc2n1 | 10.1016/j.bmcl.2021.128479 | ||
| 2551 | 782 | 23 | None | -2 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 782 | 23 | None | -2 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 782 | 23 | None | -2 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 782 | 23 | None | -2 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 782 | 23 | None | -2 | 12 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 1201549 | 590 | 22 | None | -45 | 20 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 333 | 590 | 22 | None | -45 | 20 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 7601 | 590 | 22 | None | -45 | 20 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL1201203 | 590 | 22 | None | -45 | 20 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL438151 | 590 | 22 | None | -45 | 20 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| DB00245 | 590 | 22 | None | -45 | 20 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/acsmedchemlett.0c00626 | ||
| 44590124 | 169227 | 0 | None | -39 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 10 | 4 | 6 | 4.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL443925 | 169227 | 0 | None | -39 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 10 | 4 | 6 | 4.7 | CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 162657046 | 180261 | 0 | None | -99 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| CHEMBL4757103 | 180261 | 0 | None | -99 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 406 | 5 | 0 | 4 | 4.1 | Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)[C@H](C)C1 | 10.1021/acsmedchemlett.0c00626 | ||
| 76316969 | 106041 | 0 | None | -11 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085075 | 106041 | 0 | None | -11 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140262 | 106041 | 0 | None | -11 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 396 | 4 | 0 | 4 | 4.5 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccc(C#N)c1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 162353391 | 180239 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756873 | 180239 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| 76313454 | 106025 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085064 | 106025 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140214 | 106025 | 0 | None | -1 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 443 | 4 | 0 | 2 | 5.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1Br)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 138578326 | 185646 | 0 | None | -870 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4861863 | 185646 | 0 | None | -870 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| CHEMBL4873386 | 185646 | 0 | None | -870 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.5 | Fc1ccc(Cl)c(-c2ccc(N[C@H]3C[C@@H]4CN(CC5CCOCC5)C[C@@H]4C3)nn2)c1 | 10.1021/acsmedchemlett.1c00363 | ||
| 76309754 | 106039 | 0 | None | -8 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085062 | 106039 | 0 | None | -8 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140260 | 106039 | 0 | None | -8 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 5 | 0 | 3 | 4.6 | COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c2ccccc2)cc1 | 10.1016/j.bmcl.2007.09.071 | ||
| 1421986 | 8181 | 4 | None | -2 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| CHEMBL1092461 | 8181 | 4 | None | -2 | 3 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 357 | 4 | 1 | 3 | 4.0 | CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2Cl)CC1 | 10.1016/j.bmcl.2010.02.041 | ||
| 11442478 | 105996 | 0 | None | -7 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085073 | 105996 | 0 | None | -7 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3140113 | 105996 | 0 | None | -7 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 377 | 4 | 0 | 4 | 4.7 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 10109893 | 81753 | 0 | None | 89 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 81753 | 0 | None | 89 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 81753 | 0 | None | 89 | 3 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 162353376 | 179846 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752380 | 179846 | 0 | None | - | 1 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 11820032 | 97772 | 0 | None | 1 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL274329 | 97772 | 0 | None | 1 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| 162353377 | 180583 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760904 | 180583 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353390 | 180367 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758316 | 180367 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 162670602 | 182355 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 248 | 2 | 0 | 2 | 1.8 | O=C(CN1CCc2ccc(F)cc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4792675 | 182355 | 0 | None | - | 1 | Human | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 248 | 2 | 0 | 2 | 1.8 | O=C(CN1CCc2ccc(F)cc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 133640439 | 180791 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763304 | 180791 | 1 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 10240891 | 204378 | 0 | None | 1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL85678 | 204378 | 0 | None | 1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 16094783 | 136044 | 0 | None | 12 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136044 | 0 | None | 12 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 44589496 | 185399 | 0 | None | -15 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 560 | 10 | 5 | 7 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL486983 | 185399 | 0 | None | -15 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 560 | 10 | 5 | 7 | 3.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 174174 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 174174 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | ||
| 260 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | ||
| 320 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | ||
| DB00572 | 519 | 46 | None | -7 | 7 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.8b01967 | ||
| 76309757 | 103023 | 0 | None | -1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 0 | 4 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085087 | 103023 | 0 | None | -1 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 340 | 4 | 0 | 4 | 4.0 | CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccoc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 71463136 | 83521 | 0 | None | -2 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 621 | 12 | 4 | 5 | 5.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206608 | 83521 | 0 | None | -2 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 621 | 12 | 4 | 5 | 5.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 71459724 | 83593 | 0 | None | -63 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2207177 | 83593 | 0 | None | -63 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]([N+](C)(C)Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 302 | 2929 | 23 | None | -7 | 8 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 4630 | 2929 | 23 | None | -7 | 8 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL7634 | 2929 | 23 | None | -7 | 8 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 122203596 | 155265 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 71454214 | 83509 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 573 | 10 | 3 | 5 | 4.2 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206592 | 83509 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 573 | 10 | 3 | 5 | 4.2 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 10375322 | 58422 | 0 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168545 | 58422 | 0 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 192 | 2 | 0 | 3 | 1.1 | CCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71454212 | 83503 | 0 | None | 5 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 623 | 13 | 4 | 5 | 5.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206586 | 83503 | 0 | None | 5 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 623 | 13 | 4 | 5 | 5.8 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 16125704 | 84241 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 482 | 6 | 1 | 3 | 4.4 | C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222450 | 84241 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 482 | 6 | 1 | 3 | 4.4 | C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL4755618 | 212282 | 35 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | None | None | None | Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cnnc12 | 10.1021/acs.jmedchem.1c02148 | ||||
| 11617374 | 103013 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| CHEMBL3085078 | 103013 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 356 | 4 | 0 | 4 | 4.5 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 | 10.1016/j.bmcl.2007.09.071 | ||
| 155522355 | 175835 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 49665121 | 169895 | 11 | None | 3 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| CHEMBL4448840 | 169895 | 11 | None | 3 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 4 | 0 | 8 | 3.4 | Fc1cc(F)cc(-c2nnc(Cc3nc(-c4ccc5c(c4)OCO5)no3)o2)c1 | 10.1016/j.bmcl.2016.07.071 | ||
| 162353387 | 180649 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4761549 | 180649 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 71457770 | 83513 | 0 | None | -1 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 647 | 10 | 3 | 5 | 6.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC([N+]3(Cc4ccc(Cl)cc4)CCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206600 | 83513 | 0 | None | -1 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 647 | 10 | 3 | 5 | 6.1 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC([N+]3(Cc4ccc(Cl)cc4)CCCC3)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 10376182 | 58448 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 0 | 3 | 1.9 | CCCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| CHEMBL168639 | 58448 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 220 | 4 | 0 | 3 | 1.9 | CCCCC#CCO/N=C1\CN2CCC1C2 | 10.1016/S0960-894X(00)80538-7 | ||
| 71455965 | 83506 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(C(C)C)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206589 | 83506 | 0 | None | -3 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 621 | 10 | 3 | 5 | 5.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(C(C)C)CC2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 162353383 | 181995 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787944 | 181995 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| 162657652 | 180403 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758742 | 180403 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| 71463134 | 83510 | 0 | None | -2 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 618 | 11 | 3 | 6 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| CHEMBL2206594 | 83510 | 0 | None | -2 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 618 | 11 | 3 | 6 | 4.7 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2Cc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2012.09.085 | ||
| 11519069 | 3876 | 2 | None | - | 0 | Human | 10.5 | pKd | = | 10.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 11519070 | 3876 | 2 | None | - | 0 | Human | 10.5 | pKd | = | 10.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 4816 | 3876 | 2 | None | - | 0 | Human | 10.5 | pKd | = | 10.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 7354 | 3876 | 2 | None | - | 0 | Human | 10.5 | pKd | = | 10.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| CHEMBL1187833 | 3876 | 2 | None | - | 0 | Human | 10.5 | pKd | = | 10.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| DB09076 | 3876 | 2 | None | - | 0 | Human | 10.5 | pKd | = | 10.5 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 25195533 | 77983 | 1 | None | - | 0 | Human | 10.3 | pKd | = | 10.3 | Functional | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2103803 | 77983 | 1 | None | - | 0 | Human | 10.3 | pKd | = | 10.3 | Functional | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2110584 | 77983 | 1 | None | - | 0 | Human | 10.3 | pKd | = | 10.3 | Functional | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 44589580 | 172577 | 0 | None | - | 0 | Human | 10.3 | pKd | = | 10.3 | Functional | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL452142 | 172577 | 0 | None | - | 0 | Human | 10.3 | pKd | = | 10.3 | Functional | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL553448 | 172577 | 0 | None | - | 0 | Human | 10.3 | pKd | = | 10.3 | Functional | ChEMBL | 635 | 10 | 5 | 7 | 5.3 | C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| 132947 | 3803 | 8 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| 361 | 3803 | 8 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| CHEMBL265256 | 3803 | 8 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| 132947 | 3803 | 8 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| 361 | 3803 | 8 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| CHEMBL265256 | 3803 | 8 | None | - | 0 | Human | 9.8 | pKd | = | 9.8 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| 25034186 | 199753 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL540396 | 199753 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL604842 | 199753 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 722 | 11 | 4 | 8 | 7.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC4CCCCC4)s3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| 44589579 | 188467 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL509515 | 188467 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540148 | 188467 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 595 | 10 | 5 | 7 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 | 10.1016/j.bmcl.2008.09.020 | ||
| 11766733 | 155213 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202003 | 155213 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL405739 | 155213 | 0 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 132947 | 3803 | 8 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| 361 | 3803 | 8 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| CHEMBL265256 | 3803 | 8 | None | - | 0 | Human | 9.7 | pKd | = | 9.7 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| 10770914 | 24857 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL134692 | 24857 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 44232952 | 102908 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084650 | 102908 | 0 | None | - | 0 | Human | 9.5 | pKd | = | 9.5 | Functional | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10580398 | 21411 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 677 | 24 | 3 | 7 | 6.0 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL131748 | 21411 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 677 | 24 | 3 | 7 | 6.0 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 316 | 2793 | 14 | None | - | 8 | Guinea pig | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 317 | 2793 | 14 | None | - | 8 | Guinea pig | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 71183 | 2793 | 14 | None | - | 8 | Guinea pig | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL3140030 | 2793 | 14 | None | - | 8 | Guinea pig | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL376897 | 2793 | 14 | None | - | 8 | Guinea pig | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| DB00462 | 2793 | 14 | None | - | 8 | Guinea pig | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 316 | 2793 | 14 | None | -295 | 8 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 317 | 2793 | 14 | None | -295 | 8 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 71183 | 2793 | 14 | None | -295 | 8 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL3140030 | 2793 | 14 | None | -295 | 8 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL376897 | 2793 | 14 | None | -295 | 8 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| DB00462 | 2793 | 14 | None | -295 | 8 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 10109130 | 132494 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL370232 | 132494 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 10291366 | 140168 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL381623 | 140168 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 69058946 | 105993 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084658 | 105993 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140110 | 105993 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10629559 | 23547 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 901 | 25 | 4 | 10 | 7.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL133561 | 23547 | 0 | None | - | 0 | Human | 9.3 | pKd | = | 9.3 | Functional | ChEMBL | 901 | 25 | 4 | 10 | 7.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 10628017 | 21516 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131865 | 21516 | 0 | None | - | 0 | Human | 9.2 | pKd | = | 9.2 | Functional | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 14939891 | 168798 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL442014 | 168798 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 14939891 | 168798 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00075a032 | ||
| CHEMBL442014 | 168798 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00075a032 | ||
| 9946298 | 72482 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200171 | 72482 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406481 | 72530 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200319 | 72530 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406573 | 72628 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200693 | 72628 | 0 | None | - | 0 | Human | 9.1 | pKd | = | 9.1 | Functional | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 10532418 | 24401 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 664 | 27 | 3 | 7 | 7.4 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL134294 | 24401 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9.0 | Functional | ChEMBL | 664 | 27 | 3 | 7 | 7.4 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 25034182 | 172015 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL448870 | 172015 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL540359 | 172015 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| 25034182 | 172015 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL448870 | 172015 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540359 | 172015 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 16116085 | 11741 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182201 | 11741 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219786 | 11741 | 0 | None | - | 0 | Human | 9.0 | pKd | = | 9 | Functional | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 12872437 | 11953 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183585 | 11953 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL306182 | 11953 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| 11691950 | 12653 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL1187853 | 12653 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL524097 | 12653 | 0 | None | - | 0 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| 174174 | 519 | 46 | None | -7 | 7 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | ||
| 260 | 519 | 46 | None | -7 | 7 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | ||
| 320 | 519 | 46 | None | -7 | 7 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 7 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | ||
| DB00572 | 519 | 46 | None | -7 | 7 | Human | 8.9 | pKd | = | 8.9 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00121a017 | ||
| 10771937 | 21493 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202004 | 21493 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL131846 | 21493 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 25034184 | 187813 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL501803 | 187813 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| CHEMBL539887 | 187813 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 676 | 11 | 4 | 7 | 6.1 | Cc1cn2cc(CNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)Nc3ccc(C(=O)OC(C)C)cc3)[n+](Cc3ccc4ccccc4c3)c2s1 | 10.1021/jm800634k | ||
| 44589581 | 188202 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL505751 | 188202 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540145 | 188202 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 615 | 12 | 5 | 6 | 4.9 | C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1 | 10.1016/j.bmcl.2008.09.020 | ||
| 14939896 | 81675 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201996 | 81675 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL216566 | 81675 | 0 | None | - | 0 | Human | 8.8 | pKd | = | 8.8 | Functional | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44406686 | 140380 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL382213 | 140380 | 0 | None | - | 0 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 174174 | 519 | 46 | None | -7 | 7 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| 260 | 519 | 46 | None | -7 | 7 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| 320 | 519 | 46 | None | -7 | 7 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 7 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| DB00572 | 519 | 46 | None | -7 | 7 | Human | 8.7 | pKd | = | 8.7 | Functional | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| 44341782 | 9898 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL114885 | 9898 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 44318928 | 204049 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 400 | 6 | 0 | 3 | 5.0 | COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL82859 | 204049 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 400 | 6 | 0 | 3 | 5.0 | COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44319043 | 204339 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 410 | 5 | 0 | 3 | 5.7 | O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85391 | 204339 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 410 | 5 | 0 | 3 | 5.7 | O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 11753447 | 186768 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 459 | 7 | 2 | 4 | 4.4 | CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| CHEMBL493265 | 186768 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7 | Functional | ChEMBL | 459 | 7 | 2 | 4 | 4.4 | CC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| 2166 | 3074 | 46 | None | -1258 | 8 | Rat | 5.0 | pKd | = | 5 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 305 | 3074 | 46 | None | -1258 | 8 | Rat | 5.0 | pKd | = | 5 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 5910 | 3074 | 46 | None | -1258 | 8 | Rat | 5.0 | pKd | = | 5 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL550 | 3074 | 46 | None | -1258 | 8 | Rat | 5.0 | pKd | = | 5 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| DB01085 | 3074 | 46 | None | -1258 | 8 | Rat | 5.0 | pKd | = | 5 | Functional | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 128222 | 101618 | 6 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL302179 | 101618 | 6 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCCNCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 44341878 | 109851 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 674 | 13 | 2 | 8 | 5.8 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL324026 | 109851 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6.0 | Functional | ChEMBL | 674 | 13 | 2 | 8 | 5.8 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 14939893 | 9443 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL112244 | 9443 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 154734599 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 327 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 4108 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL27673 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 154734599 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 327 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 4108 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| CHEMBL27673 | 2467 | 8 | None | 47 | 5 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 44319071 | 204300 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL84993 | 204300 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 11556983 | 186782 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL493331 | 186782 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL538864 | 186782 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL555476 | 186782 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CC[N+](C)(C)CC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 44341782 | 9898 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| CHEMBL114885 | 9898 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 44341782 | 9898 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| CHEMBL114885 | 9898 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 10789183 | 103888 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 438 | 5 | 0 | 2 | 6.3 | O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL310132 | 103888 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 438 | 5 | 0 | 2 | 6.3 | O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44318782 | 204413 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 482 | 5 | 0 | 2 | 6.4 | O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85996 | 204413 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 482 | 5 | 0 | 2 | 6.4 | O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44380974 | 57261 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 558 | 27 | 4 | 4 | 7.5 | Fc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(F)cc2)cc1 | 10.1021/jm00121a017 | ||
| CHEMBL166544 | 57261 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 558 | 27 | 4 | 4 | 7.5 | Fc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(F)cc2)cc1 | 10.1021/jm00121a017 | ||
| 101720828 | 96673 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 16147087 | 96673 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202002 | 96673 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL267643 | 96673 | 0 | None | - | 0 | Human | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 44381057 | 57805 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 651 | 34 | 4 | 5 | 9.9 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | ||
| CHEMBL167587 | 57805 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 651 | 34 | 4 | 5 | 9.9 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | ||
| 44380592 | 58998 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(OC)cc2)cc1 | 10.1021/jm00121a017 | ||
| CHEMBL170554 | 58998 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(OC)cc2)cc1 | 10.1021/jm00121a017 | ||
| 154734599 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 327 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 4108 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| CHEMBL27673 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 154734599 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 327 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 4108 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| CHEMBL27673 | 2467 | 8 | None | 47 | 5 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 101676031 | 96879 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 16175987 | 96879 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201998 | 96879 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL269272 | 96879 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 319 | 1297 | 39 | None | - | 6 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 321 | 1297 | 39 | None | - | 6 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 444031 | 1297 | 39 | None | - | 6 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 784 | 1297 | 39 | None | - | 6 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL1346 | 1297 | 39 | None | - | 6 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| DB00496 | 1297 | 39 | None | - | 6 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 2705 | 3781 | 59 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| 360 | 3781 | 59 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| 443879 | 3781 | 59 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL1382 | 3781 | 59 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| DB01036 | 3781 | 59 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| 44380973 | 120219 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(OC)c2)c1 | 10.1021/jm00121a017 | ||
| CHEMBL354855 | 120219 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(OC)c2)c1 | 10.1021/jm00121a017 | ||
| 44319342 | 204005 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 454 | 5 | 0 | 3 | 5.8 | O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL82512 | 204005 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 454 | 5 | 0 | 3 | 5.8 | O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44319339 | 204191 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 386 | 5 | 1 | 3 | 4.7 | O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL83982 | 204191 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 386 | 5 | 1 | 3 | 4.7 | O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44341864 | 108724 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 575 | 7 | 2 | 7 | 4.7 | CCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL321687 | 108724 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 575 | 7 | 2 | 7 | 4.7 | CCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44380309 | 58468 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCNCCCCCCCCNCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL168736 | 58468 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 554 | 27 | 4 | 6 | 6.4 | COc1ccccc1CNCCCCCNCCCCCCCCNCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 44298537 | 100573 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 639 | 29 | 0 | 6 | 8.6 | COc1ccccc1CN(C)CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL294613 | 100573 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 639 | 29 | 0 | 6 | 8.6 | COc1ccccc1CN(C)CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | ||
| 44380837 | 58132 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)cc2)cc1 | 10.1021/jm00121a017 | ||
| CHEMBL168304 | 58132 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)cc2)cc1 | 10.1021/jm00121a017 | ||
| 44381064 | 57953 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CN(C)CCCCCCNCCCCCCCCNCCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL168235 | 57953 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 611 | 29 | 2 | 6 | 7.9 | COc1ccccc1CN(C)CCCCCCNCCCCCCCCNCCCCCCN(C)Cc1ccccc1OC | 10.1021/jm00121a017 | ||
| 10316726 | 11923 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11923 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11923 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 16144765 | 96431 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1403 | 29 | 4 | 16 | 11.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL265592 | 96431 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1403 | 29 | 4 | 16 | 11.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 44380612 | 58880 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1 | 10.1021/jm00121a017 | ||
| CHEMBL170113 | 58880 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(Cl)cc2)cc1 | 10.1021/jm00121a017 | ||
| 44341975 | 9437 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 543 | 14 | 1 | 6 | 5.7 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC | 10.1021/jm00046a021 | ||
| CHEMBL112208 | 9437 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 543 | 14 | 1 | 6 | 5.7 | CCN(CC)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC | 10.1021/jm00046a021 | ||
| 44380613 | 58187 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(Cl)c2)c1 | 10.1021/jm00121a017 | ||
| CHEMBL168322 | 58187 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1cccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccc(Cl)c2)c1 | 10.1021/jm00121a017 | ||
| 154734599 | 2467 | 8 | None | 47 | 5 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 327 | 2467 | 8 | None | 47 | 5 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 4108 | 2467 | 8 | None | 47 | 5 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL27673 | 2467 | 8 | None | 47 | 5 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 10049361 | 204401 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85892 | 204401 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 9913892 | 204122 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 499 | 6 | 0 | 5 | 5.7 | O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL83459 | 204122 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 499 | 6 | 0 | 5 | 5.7 | O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 14537191 | 147456 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 357 | 8 | 2 | 5 | 3.3 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL39342 | 147456 | 0 | None | - | 0 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 357 | 8 | 2 | 5 | 3.3 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| 10486393 | 141170 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202000 | 141170 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL385625 | 141170 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 10794142 | 22734 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 635 | 25 | 3 | 7 | 6.6 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL132926 | 22734 | 0 | None | - | 0 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 635 | 25 | 3 | 7 | 6.6 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 1734 | 116 | 8 | None | -97 | 6 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| 307 | 116 | 8 | None | -97 | 6 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL168067 | 116 | 8 | None | -97 | 6 | Human | 8.6 | pKd | = | 8.6 | Functional | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| 16086059 | 80363 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215180 | 80363 | 0 | None | - | 0 | Rat | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 10722780 | 22099 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 638 | 27 | 2 | 6 | 7.0 | COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL132377 | 22099 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 638 | 27 | 2 | 6 | 7.0 | COc1ccccc1CNCCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 44355098 | 24499 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 540 | 26 | 4 | 6 | 6.1 | COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL134382 | 24499 | 0 | None | - | 0 | Human | 6.7 | pKd | = | 6.7 | Functional | ChEMBL | 540 | 26 | 4 | 6 | 6.1 | COc1ccccc1CNCCCCCCNCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 44355099 | 164699 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 568 | 28 | 4 | 6 | 6.8 | COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL422977 | 164699 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 568 | 28 | 4 | 6 | 6.8 | COc1ccccc1CNCCCCCCNCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 11365314 | 186769 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 4.8 | CCC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| CHEMBL493266 | 186769 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 473 | 8 | 2 | 4 | 4.8 | CCC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN[C@@H](C)C4)c3)c2)c1 | 10.1021/jm800935u | ||
| 44341764 | 9860 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 423 | 11 | 2 | 5 | 3.8 | CCN(CC)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL114681 | 9860 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 423 | 11 | 2 | 5 | 3.8 | CCN(CC)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10402105 | 110002 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 292 | 12 | 1 | 3 | 3.7 | CCN(CC)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| CHEMBL324855 | 110002 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 292 | 12 | 1 | 3 | 3.7 | CCN(CC)CCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 14211056 | 106679 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL316309 | 106679 | 0 | None | - | 1 | Rat | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44380611 | 58516 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 614 | 29 | 4 | 6 | 8.7 | CSc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1SC | 10.1021/jm00121a017 | ||
| CHEMBL168841 | 58516 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 614 | 29 | 4 | 6 | 8.7 | CSc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1SC | 10.1021/jm00121a017 | ||
| 44380972 | 119744 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 611 | 31 | 4 | 6 | 8.0 | COc1ccccc1CNCCCCCCCNCCCCCCCCNCCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL352334 | 119744 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 611 | 31 | 4 | 6 | 8.0 | COc1ccccc1CNCCCCCCCNCCCCCCCCNCCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 14939888 | 10067 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 370 | 21 | 2 | 4 | 4.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN | 10.1021/jm00046a021 | ||
| CHEMBL115878 | 10067 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 370 | 21 | 2 | 4 | 4.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN | 10.1021/jm00046a021 | ||
| 44381066 | 58715 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1cncc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccnc2)c1 | 10.1021/jm00121a017 | ||
| CHEMBL169290 | 58715 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1cncc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2cccnc2)c1 | 10.1021/jm00121a017 | ||
| 14939894 | 10199 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL116172 | 10199 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44406598 | 72679 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 325 | 3 | 1 | 3 | 2.8 | COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200957 | 72679 | 0 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 325 | 3 | 1 | 3 | 2.8 | COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 129989 | 447 | 41 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 8584 | 447 | 41 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| CHEMBL43383 | 447 | 41 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 71128 | 96362 | 18 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00127a020 | ||
| CHEMBL26505 | 96362 | 18 | None | - | 0 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00127a020 | ||
| 66875589 | 102915 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084662 | 102915 | 0 | None | - | 1 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 44589576 | 188469 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL509520 | 188469 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL555706 | 188469 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 588 | 10 | 6 | 5 | 3.9 | CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44406480 | 72499 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200210 | 72499 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44319009 | 106453 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 426 | 5 | 0 | 2 | 5.2 | O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL314831 | 106453 | 0 | None | - | 0 | Human | 7.5 | pKd | = | 7.5 | Functional | ChEMBL | 426 | 5 | 0 | 2 | 5.2 | O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 11249888 | 186794 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL493465 | 186794 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 442 | 6 | 2 | 4 | 4.1 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C#N)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 14537192 | 99760 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 428 | 9 | 1 | 6 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL288482 | 99760 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 428 | 9 | 1 | 6 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| 189509 | 105520 | 10 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL313227 | 105520 | 10 | None | - | 1 | Rat | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44365882 | 57816 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 625 | 32 | 4 | 6 | 8.4 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL167690 | 57816 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 625 | 32 | 4 | 6 | 8.4 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 2028 | 2931 | 77 | None | -13 | 8 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| 359 | 2931 | 77 | None | -13 | 8 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| 4634 | 2931 | 77 | None | -13 | 8 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL1231 | 2931 | 77 | None | -13 | 8 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| DB01062 | 2931 | 77 | None | -13 | 8 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| 44406520 | 134735 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL372566 | 134735 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 15114860 | 106672 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 210 | 3 | 1 | 4 | 1.0 | CC[C@@H]1C(O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL316282 | 106672 | 0 | None | - | 0 | Rat | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 210 | 3 | 1 | 4 | 1.0 | CC[C@@H]1C(O)OC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 14211057 | 110937 | 0 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL327363 | 110937 | 0 | None | - | 1 | Rat | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 226 | 3 | 1 | 4 | 1.7 | CC[C@@H]1C(O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 10316726 | 11923 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11923 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11923 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 16115945 | 12191 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184886 | 12191 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376057 | 12191 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 10606253 | 156731 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL407678 | 156731 | 0 | None | - | 0 | Human | 8.4 | pKd | = | 8.4 | Functional | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 14939895 | 81707 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201997 | 81707 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL216629 | 81707 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10055202 | 11428 | 1 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL11805 | 11428 | 1 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm9810452 | ||
| 14939897 | 96101 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201994 | 96101 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL262913 | 96101 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44233192 | 106000 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084643 | 106000 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140141 | 106000 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 11504490 | 192003 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL521523 | 192003 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 11504490 | 192003 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1016/j.bmcl.2009.01.098 | ||
| CHEMBL521523 | 192003 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 514 | 8 | 3 | 4 | 4.8 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CC5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1016/j.bmcl.2009.01.098 | ||
| 44589582 | 171075 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL446587 | 171075 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL550885 | 171075 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 577 | 12 | 4 | 5 | 4.6 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 16042745 | 184719 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL485932 | 184719 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL538360 | 184719 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 551 | 8 | 4 | 5 | 4.4 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(CCCCCC3)C2)cc1 | 10.1016/j.bmcl.2008.09.020 | ||
| 10557581 | 21574 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202001 | 21574 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131913 | 21574 | 0 | None | - | 0 | Human | 8.3 | pKd | = | 8.3 | Functional | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 10418181 | 9495 | 1 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL112500 | 9495 | 1 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201995 | 9495 | 1 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 9843814 | 126727 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 398 | 9 | 1 | 5 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL36583 | 126727 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 398 | 9 | 1 | 5 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 | 10.1021/jm00127a020 | ||
| 14449843 | 24618 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 610 | 27 | 4 | 6 | 6.3 | COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| CHEMBL134488 | 24618 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 610 | 27 | 4 | 6 | 6.3 | COc1ccccc1CNCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCNCc1ccccc1OC | 10.1021/jm9810452 | ||
| 14211049 | 106505 | 0 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL315191 | 106505 | 0 | None | - | 1 | Rat | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 224 | 3 | 0 | 4 | 1.9 | CC[C@H]1C(=O)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 2200 | 3082 | 38 | None | -128 | 10 | Human | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| 328 | 3082 | 38 | None | -128 | 10 | Human | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| 4848 | 3082 | 38 | None | -128 | 10 | Human | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| CHEMBL9967 | 3082 | 38 | None | -128 | 10 | Human | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| DB00670 | 3082 | 38 | None | -128 | 10 | Human | 4.3 | pKd | = | 4.3 | Functional | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| 44381142 | 58754 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccn2)nc1 | 10.1021/jm00121a017 | ||
| CHEMBL169523 | 58754 | 0 | None | - | 0 | Human | 7.3 | pKd | = | 7.3 | Functional | ChEMBL | 524 | 27 | 4 | 6 | 6.0 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccn2)nc1 | 10.1021/jm00121a017 | ||
| 10653319 | 24039 | 0 | None | - | 0 | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 901 | 24 | 3 | 10 | 7.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL133993 | 24039 | 0 | None | - | 0 | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 901 | 24 | 3 | 10 | 7.3 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 44380591 | 58443 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | ||
| CHEMBL168616 | 58443 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 550 | 27 | 4 | 4 | 7.8 | Cc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1C | 10.1021/jm00121a017 | ||
| 44406521 | 73558 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL201933 | 73558 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44233190 | 102927 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084679 | 102927 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 44589578 | 172599 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL452193 | 172599 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540401 | 172599 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1nc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)no1 | 10.1016/j.bmcl.2008.09.020 | ||
| 44589577 | 188381 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL508343 | 188381 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | ||
| CHEMBL540146 | 188381 | 0 | None | - | 0 | Human | 8.2 | pKd | = | 8.2 | Functional | ChEMBL | 585 | 9 | 5 | 7 | 4.1 | Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1 | 10.1016/j.bmcl.2008.09.020 | ||
| 25132856 | 186633 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 515 | 8 | 3 | 5 | 3.6 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| CHEMBL492437 | 186633 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 515 | 8 | 3 | 5 | 3.6 | C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(CN5CCNCC5)c4)ccc3F)c2)CCN1 | 10.1021/jm800935u | ||
| 14537188 | 136023 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL37372 | 136023 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| 14211052 | 204810 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 240 | 3 | 0 | 4 | 2.7 | CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| CHEMBL88578 | 204810 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 240 | 3 | 0 | 4 | 2.7 | CC[C@H]1C(=S)SC[C@@H]1Cc1cncn1C | 10.1021/jm00079a002 | ||
| 44380614 | 57165 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1Cl | 10.1021/jm00121a017 | ||
| CHEMBL165700 | 57165 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 590 | 27 | 4 | 4 | 8.5 | Clc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1Cl | 10.1021/jm00121a017 | ||
| 59993948 | 72795 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 556 | 8 | 1 | 6 | 5.3 | O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)n1 | 10.1016/j.bmc.2011.11.071 | ||
| CHEMBL2011501 | 72795 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 556 | 8 | 1 | 6 | 5.3 | O=C(N[C@H]1CCCC[C@@H]1OCc1ccccc1)c1coc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)n1 | 10.1016/j.bmc.2011.11.071 | ||
| 14537189 | 162093 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 412 | 9 | 0 | 5 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL416974 | 162093 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 412 | 9 | 0 | 5 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| 14939893 | 9443 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL112244 | 9443 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10369736 | 59052 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 530 | 27 | 4 | 6 | 7.0 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)o2)o1 | 10.1021/jm00121a017 | ||
| CHEMBL170793 | 59052 | 0 | None | - | 0 | Human | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 530 | 27 | 4 | 6 | 7.0 | Cc1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc(C)o2)o1 | 10.1021/jm00121a017 | ||
| 44381205 | 57223 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 522 | 27 | 4 | 4 | 7.2 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2)cc1 | 10.1021/jm00121a017 | ||
| CHEMBL166232 | 57223 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 522 | 27 | 4 | 4 | 7.2 | c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccccc2)cc1 | 10.1021/jm00121a017 | ||
| 10508599 | 114730 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 663 | 23 | 3 | 7 | 5.6 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL334690 | 114730 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 663 | 23 | 3 | 7 | 5.6 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 44381378 | 57222 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 502 | 27 | 4 | 6 | 6.4 | c1coc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccco2)c1 | 10.1021/jm00121a017 | ||
| CHEMBL166229 | 57222 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 502 | 27 | 4 | 6 | 6.4 | c1coc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccco2)c1 | 10.1021/jm00121a017 | ||
| 129989 | 447 | 41 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| 8584 | 447 | 41 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| CHEMBL43383 | 447 | 41 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| 10651844 | 114990 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL335115 | 114990 | 0 | None | - | 0 | Human | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 14914761 | 9870 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 462 | 25 | 4 | 5 | 5.4 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCN | 10.1021/jm00046a021 | ||
| CHEMBL114738 | 9870 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 462 | 25 | 4 | 5 | 5.4 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCN | 10.1021/jm00046a021 | ||
| 44380975 | 57302 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 612 | 29 | 4 | 8 | 7.0 | O=[N+]([O-])c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm00121a017 | ||
| CHEMBL166803 | 57302 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 612 | 29 | 4 | 8 | 7.0 | O=[N+]([O-])c1ccc(CNCCCCCCNCCCCCCCCNCCCCCCNCc2ccc([N+](=O)[O-])cc2)cc1 | 10.1021/jm00121a017 | ||
| 44365718 | 58478 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 653 | 34 | 4 | 6 | 9.2 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| CHEMBL168786 | 58478 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 653 | 34 | 4 | 6 | 9.2 | COc1ccccc1CNCCCCCCNCCCCCCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00121a017 | ||
| 9916852 | 203211 | 0 | None | - | 0 | Human | 11.0 | pKi | = | 11 | Functional | ChEMBL | 606 | 8 | 0 | 9 | 3.4 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL76164 | 203211 | 0 | None | - | 0 | Human | 11.0 | pKi | = | 11 | Functional | ChEMBL | 606 | 8 | 0 | 9 | 3.4 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | ||
| 44314347 | 102390 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 640 | 7 | 0 | 7 | 5.9 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL305693 | 102390 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 640 | 7 | 0 | 7 | 5.9 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 10230930 | 80222 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 548 | 13 | 1 | 5 | 5.7 | CCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1 | 10.1021/jm100064d | ||
| CHEMBL2151158 | 80222 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 548 | 13 | 1 | 5 | 5.7 | CCN(CC)CCOc1ccc(CN2CCC(C3CCN(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)cc1 | 10.1021/jm100064d | ||
| 44314697 | 103703 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL309720 | 103703 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 44314564 | 203100 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL75108 | 203100 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)cc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 164610746 | 187883 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854886 | 187883 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028038 | 187883 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44314328 | 103236 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL308787 | 103236 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 676 | 7 | 0 | 7 | 6.2 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(F)ccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 10417432 | 104395 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 718 | 7 | 0 | 7 | 6.7 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL311099 | 104395 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 718 | 7 | 0 | 7 | 6.7 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7c(Br)cccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 10009554 | 203005 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL74141 | 203005 | 0 | None | - | 0 | Human | 9.3 | pKi | = | 9.3 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 44314698 | 203441 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(F)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL78131 | 203441 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(F)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 164610746 | 187883 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854886 | 187883 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028038 | 187883 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44314329 | 202850 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL72932 | 202850 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cccc(F)c67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 44314699 | 102704 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL308166 | 102704 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7ccc(F)cc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 44314713 | 104391 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 674 | 7 | 0 | 7 | 6.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(Cl)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL311054 | 104391 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 674 | 7 | 0 | 7 | 6.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc7cc(Cl)ccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(01)00435-8 | ||
| 164615651 | 187927 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852079 | 187927 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028329 | 187927 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164614830 | 187916 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858774 | 187916 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028275 | 187916 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44314554 | 105203 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 592 | 9 | 0 | 8 | 3.6 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | ||
| CHEMBL312571 | 105203 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 592 | 9 | 0 | 8 | 3.6 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(01)00435-8 | ||
| 3009356 | 105144 | 1 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL312344 | 105144 | 1 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 543 | 6 | 0 | 5 | 5.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 483747 | 104930 | 2 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| CHEMBL311795 | 104930 | 2 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0304515 | ||
| 3009352 | 96191 | 1 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL263555 | 96191 | 1 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 517 | 5 | 0 | 5 | 5.3 | CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| 3009353 | 167462 | 1 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| CHEMBL432170 | 167462 | 1 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 531 | 6 | 0 | 5 | 5.7 | CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C | 10.1021/jm0304515 | ||
| 1935 | 3677 | 92 | None | - | 8 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 2551 | 3677 | 92 | None | - | 8 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 6687 | 3677 | 92 | None | - | 8 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| CHEMBL95 | 3677 | 92 | None | - | 8 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| DB00382 | 3677 | 92 | None | - | 8 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 164615651 | 187927 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852079 | 187927 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028329 | 187927 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 313 | 2652 | 0 | None | - | 1 | Human | 6.3 | pA2 | < | 6.3 | Functional | Guide to Pharmacology | None | None | None | None | 9862767 | ||||
| 2520 | 202310 | 65 | None | -3 | 12 | Pig | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL1280 | 202310 | 65 | None | -3 | 12 | Pig | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| CHEMBL6966 | 202310 | 65 | None | -3 | 12 | Pig | 8.4 | pEC50 | = | 8.4 | Functional | Drug Central | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | None | ||
| 1935 | 3677 | 92 | None | -1 | 8 | Pig | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 2551 | 3677 | 92 | None | -1 | 8 | Pig | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 6687 | 3677 | 92 | None | -1 | 8 | Pig | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| CHEMBL95 | 3677 | 92 | None | -1 | 8 | Pig | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| DB00382 | 3677 | 92 | None | -1 | 8 | Pig | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 1979 | 76973 | 66 | None | -1 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | None | -1 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 123603 | 870 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2684 | 870 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 584 | 870 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 9658 | 870 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| CHEMBL168815 | 870 | 25 | None | -1 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | None | ||
| 2370 | 616 | 30 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 297 | 616 | 30 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 358 | 616 | 30 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| CHEMBL1482 | 616 | 30 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| DB01019 | 616 | 30 | None | - | 1 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 1273 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 3450 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 356 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 6172 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 67425 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| CHEMBL360055 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| DB00483 | 1724 | 14 | None | 25 | 4 | Pig | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 2166 | 3074 | 46 | None | -95 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | None | -95 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | None | -95 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | None | -95 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | None | -95 | 8 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5831 | 214185 | 0 | None | -1 | 5 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 21158560 | 112296 | 4 | None | - | 1 | Pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| CHEMBL3305985 | 112296 | 4 | None | - | 1 | Pig | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| 10101670 | 1481 | 0 | None | 52 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 16157694 | ||
| 7635 | 1481 | 0 | None | 52 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 16157694 | ||
| CHEMBL32985 | 1481 | 0 | None | 52 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 16157694 | ||
| 10104167 | 2028 | 1 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 23062057 | ||
| 10104167 | 2028 | 1 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 24863257 | ||
| 6937 | 2028 | 1 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 23062057 | ||
| 6937 | 2028 | 1 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 24863257 | ||
| CHEMBL3121473 | 2028 | 1 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 23062057 | ||
| CHEMBL3121473 | 2028 | 1 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | Guide to Pharmacology | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 24863257 | ||
| 288 | 249 | 0 | None | 3 | 5 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 17392404 | ||
| 288 | 249 | 0 | None | 3 | 5 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6979053 | 249 | 0 | None | 3 | 5 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 17392404 | ||
| 6979053 | 249 | 0 | None | 3 | 5 | Human | 5.7 | pEC50 | None | 5.7 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 286 | 250 | 0 | None | 3 | 5 | Human | 6.3 | pEC50 | None | 6.3 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 17392404 | ||
| 286 | 250 | 0 | None | 3 | 5 | Human | 6.3 | pEC50 | None | 6.3 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 6954180 | 250 | 0 | None | 3 | 5 | Human | 6.3 | pEC50 | None | 6.3 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 17392404 | ||
| 6954180 | 250 | 0 | None | 3 | 5 | Human | 6.3 | pEC50 | None | 6.3 | Functional | Guide to Pharmacology | 170 | 1 | 1 | 2 | -0.8 | CC(=O)O[C@@H]1C[NH+]2CCC1CC2 | 8968358 | ||
| 18381 | 215975 | 0 | None | -1 | 4 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 469 | 4 | 2 | 6 | 3.2 | CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl | None | ||
| 11434515 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 11434515 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 11519741 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 11519741 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 4484 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 4484 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 7449 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| 7449 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| CHEMBL1194325 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| CHEMBL1194325 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| DB08897 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 19653626 | ||
| DB08897 | 259 | 3 | None | -1 | 5 | Human | 10.1 | pIC50 | = | 10.1 | Functional | Guide to Pharmacology | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 21036042 | ||
| 1935 | 3677 | 92 | None | -19 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| 2551 | 3677 | 92 | None | -19 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| 6687 | 3677 | 92 | None | -19 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| CHEMBL95 | 3677 | 92 | None | -19 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| DB00382 | 3677 | 92 | None | -19 | 8 | Mouse | 5.7 | pIC50 | = | 5.7 | Functional | Guide to Pharmacology | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 1552502 | ||
| 154059 | 3580 | 49 | None | -4 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| 2457 | 3580 | 49 | None | -4 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| 7483 | 3580 | 49 | None | -4 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| CHEMBL1734 | 3580 | 49 | None | -4 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| DB01591 | 3580 | 49 | None | -4 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 21524581 | ||
| 11693 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 11693 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 3494 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 3494 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 4302 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 4302 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| 7459 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| 7459 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| CHEMBL1201335 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| CHEMBL1201335 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| DB00986 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 21036043 | ||
| DB00986 | 1797 | 12 | None | -3 | 5 | Human | 9.1 | pIC50 | = | 9.1 | Functional | Guide to Pharmacology | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 22854200 | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 10104167 | 2028 | 1 | None | - | 4 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1016/j.ejmech.2014.01.032 | ||
| 6937 | 2028 | 1 | None | - | 4 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121473 | 2028 | 1 | None | - | 4 | Guinea pig | 10.1 | pEC50 | = | 10.1 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1016/j.ejmech.2014.01.032 | ||
| 10104167 | 2028 | 1 | None | - | 4 | Guinea pig | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1016/j.ejmech.2014.01.032 | ||
| 6937 | 2028 | 1 | None | - | 4 | Guinea pig | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121473 | 2028 | 1 | None | - | 4 | Guinea pig | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1016/j.ejmech.2014.01.032 | ||
| 405242 | 11862 | 1 | None | - | 0 | Pig | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL1182967 | 11862 | 1 | None | - | 0 | Pig | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL274413 | 11862 | 1 | None | - | 0 | Pig | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| 23657685 | 13707 | 0 | None | - | 0 | Pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 719 | 23 | 3 | 6 | 7.1 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL1195729 | 13707 | 0 | None | - | 0 | Pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 719 | 23 | 3 | 6 | 7.1 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL1203986 | 13707 | 0 | None | - | 0 | Pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 719 | 23 | 3 | 6 | 7.1 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| 23657685 | 13707 | 0 | None | - | 0 | Pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 719 | 23 | 3 | 6 | 7.1 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL1195729 | 13707 | 0 | None | - | 0 | Pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 719 | 23 | 3 | 6 | 7.1 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL1203986 | 13707 | 0 | None | - | 0 | Pig | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 719 | 23 | 3 | 6 | 7.1 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| 44435840 | 13708 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 897 | 30 | 3 | 7 | 9.0 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL1195736 | 13708 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 897 | 30 | 3 | 7 | 9.0 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL555247 | 13708 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 897 | 30 | 3 | 7 | 9.0 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| 44435840 | 13708 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 897 | 30 | 3 | 7 | 9.0 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL1195736 | 13708 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 897 | 30 | 3 | 7 | 9.0 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL555247 | 13708 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 897 | 30 | 3 | 7 | 9.0 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| 11600184 | 12197 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 574 | 14 | 0 | 5 | 5.2 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 | 10.1021/jm050769s | ||
| CHEMBL1184960 | 12197 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 574 | 14 | 0 | 5 | 5.2 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 | 10.1021/jm050769s | ||
| CHEMBL380572 | 12197 | 0 | None | - | 0 | Pig | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 574 | 14 | 0 | 5 | 5.2 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOc1ccon1 | 10.1021/jm050769s | ||
| 23657683 | 13636 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 574 | 16 | 3 | 5 | 5.8 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL1195234 | 13636 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 574 | 16 | 3 | 5 | 5.8 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL1203985 | 13636 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 574 | 16 | 3 | 5 | 5.8 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| 23657683 | 13636 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 574 | 16 | 3 | 5 | 5.8 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL1195234 | 13636 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 574 | 16 | 3 | 5 | 5.8 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL1203985 | 13636 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 574 | 16 | 3 | 5 | 5.8 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| 44435838 | 12956 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 863 | 30 | 3 | 7 | 8.3 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL1190118 | 12956 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 863 | 30 | 3 | 7 | 8.3 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL1203984 | 12956 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 863 | 30 | 3 | 7 | 8.3 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| 44435838 | 12956 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 863 | 30 | 3 | 7 | 8.3 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL1190118 | 12956 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 863 | 30 | 3 | 7 | 8.3 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL1203984 | 12956 | 0 | None | - | 0 | Pig | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 863 | 30 | 3 | 7 | 8.3 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC | 10.1021/jm070859s | ||
| 23657687 | 12955 | 0 | None | - | 0 | Pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 752 | 23 | 3 | 6 | 7.7 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL1190117 | 12955 | 0 | None | - | 0 | Pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 752 | 23 | 3 | 6 | 7.7 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL540132 | 12955 | 0 | None | - | 0 | Pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 752 | 23 | 3 | 6 | 7.7 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| 23657687 | 12955 | 0 | None | - | 0 | Pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 752 | 23 | 3 | 6 | 7.7 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL1190117 | 12955 | 0 | None | - | 0 | Pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 752 | 23 | 3 | 6 | 7.7 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| CHEMBL540132 | 12955 | 0 | None | - | 0 | Pig | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 752 | 23 | 3 | 6 | 7.7 | CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 | 10.1021/jm070859s | ||
| 10653182 | 98682 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 700 | 19 | 0 | 2 | 8.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1Cc1ccccc1)CCCN1C(=O)c2ccccc2C1Cc1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL265482 | 98682 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 700 | 19 | 0 | 2 | 8.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1Cc1ccccc1)CCCN1C(=O)c2ccccc2C1Cc1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL281080 | 98682 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 700 | 19 | 0 | 2 | 8.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1Cc1ccccc1)CCCN1C(=O)c2ccccc2C1Cc1ccccc1 | 10.1021/jm021077w | ||
| 2370 | 616 | 30 | None | - | 5 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| 297 | 616 | 30 | None | - | 5 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| 358 | 616 | 30 | None | - | 5 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL1482 | 616 | 30 | None | - | 5 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| DB01019 | 616 | 30 | None | - | 5 | Guinea pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm020871e | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm020871e | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm020871e | ||
| 10653182 | 98682 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 700 | 19 | 0 | 2 | 8.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1Cc1ccccc1)CCCN1C(=O)c2ccccc2C1Cc1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL265482 | 98682 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 700 | 19 | 0 | 2 | 8.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1Cc1ccccc1)CCCN1C(=O)c2ccccc2C1Cc1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL281080 | 98682 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 700 | 19 | 0 | 2 | 8.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1Cc1ccccc1)CCCN1C(=O)c2ccccc2C1Cc1ccccc1 | 10.1021/jm991136e | ||
| 10437519 | 106438 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 389 | 12 | 0 | 2 | 3.4 | CC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31475 | 106438 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 389 | 12 | 0 | 2 | 3.4 | CC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 76328902 | 106036 | 0 | None | - | 0 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 512 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121475 | 106036 | 0 | None | - | 0 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 512 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140248 | 106036 | 0 | None | - | 0 | Guinea pig | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 512 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 44408941 | 11710 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 8 | 0 | 2 | 5.5 | C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL1182020 | 11710 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 8 | 0 | 2 | 5.5 | C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL206666 | 11710 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 454 | 8 | 0 | 2 | 5.5 | C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 118714969 | 120330 | 0 | None | - | 0 | Pig | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 652 | 4 | 0 | 4 | 5.6 | C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1021/np500259j | ||
| CHEMBL3337859 | 120330 | 0 | None | - | 0 | Pig | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 652 | 4 | 0 | 4 | 5.6 | C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1021/np500259j | ||
| CHEMBL3558417 | 120330 | 0 | None | - | 0 | Pig | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 652 | 4 | 0 | 4 | 5.6 | C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1021/np500259j | ||
| 46878254 | 14123 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 666 | 4 | 0 | 4 | 5.7 | C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL1199299 | 14123 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 666 | 4 | 0 | 4 | 5.7 | C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL607178 | 14123 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 666 | 4 | 0 | 4 | 5.7 | C=CC[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 60138187 | 105967 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138192 | 105967 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121479 | 105967 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139879 | 105967 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 135544402 | 112609 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 444 | 9 | 1 | 4 | 4.0 | O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 135597270 | 112609 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 444 | 9 | 1 | 4 | 4.0 | O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL1202147 | 112609 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 444 | 9 | 1 | 4 | 4.0 | O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL33142 | 112609 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 444 | 9 | 1 | 4 | 4.0 | O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 11613432 | 12202 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 4.4 | C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL1184988 | 12202 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 4.4 | C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL382243 | 12202 | 0 | None | - | 0 | Human | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 4.4 | C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 44265572 | 98219 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL262448 | 98219 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL27743 | 98219 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 44265572 | 98219 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL262448 | 98219 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL27743 | 98219 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 10077281 | 103630 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL30939 | 103630 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL8653 | 103630 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 44318743 | 105469 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 584 | 0 | 0 | 6 | 4.3 | C1=C2CN3CCC45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N1c2ccccc2C23CCN4CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@H]43 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL312920 | 105469 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 584 | 0 | 0 | 6 | 4.3 | C1=C2CN3CCC45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N1c2ccccc2C23CCN4CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@H]43 | 10.1016/s0960-894x(00)00509-6 | ||
| 118714976 | 120332 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 654 | 7 | 1 | 3 | 6.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337863 | 120332 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 654 | 7 | 1 | 3 | 6.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558421 | 120332 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 654 | 7 | 1 | 3 | 6.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 76328902 | 106036 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 512 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121475 | 106036 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 512 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140248 | 106036 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 512 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 118714976 | 120332 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 654 | 7 | 1 | 3 | 6.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337863 | 120332 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 654 | 7 | 1 | 3 | 6.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558421 | 120332 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 654 | 7 | 1 | 3 | 6.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 11828809 | 11853 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 618 | 15 | 0 | 4 | 5.7 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1182934 | 11853 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 618 | 15 | 0 | 4 | 5.7 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL273255 | 11853 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 618 | 15 | 0 | 4 | 5.7 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| 134207697 | 173707 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 428 | 3 | 2 | 7 | 3.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ccc(F)c(F)c5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4549515 | 173707 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 428 | 3 | 2 | 7 | 3.0 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ccc(F)c(F)c5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 10438106 | 99196 | 0 | None | - | 0 | Pig | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 415 | 8 | 0 | 2 | 4.5 | Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL1202149 | 99196 | 0 | None | - | 0 | Pig | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 415 | 8 | 0 | 2 | 4.5 | Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL284370 | 99196 | 0 | None | - | 0 | Pig | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 415 | 8 | 0 | 2 | 4.5 | Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 44279262 | 105594 | 0 | None | - | 0 | Pig | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 522 | 16 | 0 | 4 | 3.2 | C[C@@H]1C(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)[C@H](C)[C@@H](C)C2=O)C(=O)[C@H]1C | 10.1021/jm021077w | ||
| CHEMBL31336 | 105594 | 0 | None | - | 0 | Pig | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 522 | 16 | 0 | 4 | 3.2 | C[C@@H]1C(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)[C@H](C)[C@@H](C)C2=O)C(=O)[C@H]1C | 10.1021/jm021077w | ||
| 10795567 | 99374 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 668 | 19 | 0 | 4 | 8.1 | CC(C)SC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1SC(C)C | 10.1021/jm021077w | ||
| CHEMBL285598 | 99374 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 668 | 19 | 0 | 4 | 8.1 | CC(C)SC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1SC(C)C | 10.1021/jm021077w | ||
| CHEMBL303052 | 99374 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 668 | 19 | 0 | 4 | 8.1 | CC(C)SC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1SC(C)C | 10.1021/jm021077w | ||
| 10795567 | 99374 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 668 | 19 | 0 | 4 | 8.1 | CC(C)SC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1SC(C)C | 10.1021/jm991136e | ||
| CHEMBL285598 | 99374 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 668 | 19 | 0 | 4 | 8.1 | CC(C)SC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1SC(C)C | 10.1021/jm991136e | ||
| CHEMBL303052 | 99374 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 668 | 19 | 0 | 4 | 8.1 | CC(C)SC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1SC(C)C | 10.1021/jm991136e | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 167962 | 4006 | 3 | None | - | 1 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm050769s | ||
| 362 | 4006 | 3 | None | - | 1 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm050769s | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm050769s | ||
| 405252 | 11829 | 1 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL1182747 | 11829 | 1 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL263972 | 11829 | 1 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| 1273 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 3450 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 356 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 6172 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 67425 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL360055 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| DB00483 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 1273 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 3450 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 356 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 6172 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 67425 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| CHEMBL360055 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| DB00483 | 1724 | 14 | None | - | 3 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/jm070859s | ||
| 168294767 | 192417 | 0 | None | -1 | 20 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192417 | 0 | None | -1 | 20 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192417 | 0 | None | -1 | 20 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 10865495 | 17886 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm020871e | ||
| CHEMBL126655 | 17886 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm020871e | ||
| CHEMBL8898 | 17886 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm020871e | ||
| 10865495 | 17886 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL126655 | 17886 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL8898 | 17886 | 0 | None | - | 0 | Pig | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 167962 | 4006 | 3 | None | - | 1 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021017q | ||
| 362 | 4006 | 3 | None | - | 1 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021017q | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021017q | ||
| 10699850 | 99566 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 534 | 14 | 0 | 4 | 3.7 | C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL168760 | 99566 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 534 | 14 | 0 | 4 | 3.7 | C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL286892 | 99566 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 534 | 14 | 0 | 4 | 3.7 | C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 10699850 | 99566 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 534 | 14 | 0 | 4 | 3.7 | C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL168760 | 99566 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 534 | 14 | 0 | 4 | 3.7 | C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL286892 | 99566 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 534 | 14 | 0 | 4 | 3.7 | C[N+](C)(CCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| 60138189 | 106038 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138190 | 106038 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121476 | 106038 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140252 | 106038 | 0 | None | - | 0 | Guinea pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 11007357 | 10981 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 668 | 15 | 0 | 4 | 6.8 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1177962 | 10981 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 668 | 15 | 0 | 4 | 6.8 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8721 | 10981 | 0 | None | - | 0 | Pig | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 668 | 15 | 0 | 4 | 6.8 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| 10795468 | 11632 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 646 | 15 | 0 | 8 | 3.7 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181455 | 11632 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 646 | 15 | 0 | 8 | 3.7 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL171664 | 11632 | 0 | None | - | 0 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 646 | 15 | 0 | 8 | 3.7 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 2370 | 616 | 30 | None | - | 5 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| 297 | 616 | 30 | None | - | 5 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| 358 | 616 | 30 | None | - | 5 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL1482 | 616 | 30 | None | - | 5 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| DB01019 | 616 | 30 | None | - | 5 | Guinea pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 10.1016/j.ejmech.2014.01.032 | ||
| 167962 | 4006 | 3 | None | - | 1 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm991136e | ||
| 362 | 4006 | 3 | None | - | 1 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm991136e | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Pig | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm991136e | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pEC50 | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 167962 | 4006 | 3 | None | - | 1 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021077w | ||
| 362 | 4006 | 3 | None | - | 1 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021077w | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021077w | ||
| 405254 | 105701 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL269205 | 105701 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL31380 | 105701 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 167962 | 4006 | 3 | None | - | 1 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm981023f | ||
| 362 | 4006 | 3 | None | - | 1 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm981023f | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm981023f | ||
| 405254 | 105701 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL269205 | 105701 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31380 | 105701 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 44319261 | 12239 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 866 | 4 | 0 | 4 | 10.0 | C1=C2C[N+]3(Cc4ccc5ccccc5c4)CCC45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2C23CC[N+]4(Cc5ccc7ccccc7c5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185324 | 12239 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 866 | 4 | 0 | 4 | 10.0 | C1=C2C[N+]3(Cc4ccc5ccccc5c4)CCC45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2C23CC[N+]4(Cc5ccc7ccccc7c5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL407440 | 12239 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 866 | 4 | 0 | 4 | 10.0 | C1=C2C[N+]3(Cc4ccc5ccccc5c4)CCC45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2C23CC[N+]4(Cc5ccc7ccccc7c5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34 | 10.1016/s0960-894x(00)00509-6 | ||
| 10629136 | 101881 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 636 | 19 | 0 | 4 | 6.6 | CC(C)OC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC(C)C | 10.1021/jm021077w | ||
| CHEMBL30376 | 101881 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 636 | 19 | 0 | 4 | 6.6 | CC(C)OC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC(C)C | 10.1021/jm021077w | ||
| CHEMBL68151 | 101881 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 636 | 19 | 0 | 4 | 6.6 | CC(C)OC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC(C)C | 10.1021/jm021077w | ||
| 10629136 | 101881 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 636 | 19 | 0 | 4 | 6.6 | CC(C)OC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC(C)C | 10.1021/jm991136e | ||
| CHEMBL30376 | 101881 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 636 | 19 | 0 | 4 | 6.6 | CC(C)OC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC(C)C | 10.1021/jm991136e | ||
| CHEMBL68151 | 101881 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 636 | 19 | 0 | 4 | 6.6 | CC(C)OC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC(C)C | 10.1021/jm991136e | ||
| 10985389 | 11869 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 550 | 15 | 0 | 6 | 2.9 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1183013 | 11869 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 550 | 15 | 0 | 6 | 2.9 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL275988 | 11869 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 550 | 15 | 0 | 6 | 2.9 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 44408892 | 74802 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 372 | 4 | 0 | 4 | 4.1 | CN(C)Cc1c2n(c3ccccc13)Cc1c(CN(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL203627 | 74802 | 0 | None | - | 0 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 372 | 4 | 0 | 4 | 4.1 | CN(C)Cc1c2n(c3ccccc13)Cc1c(CN(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 44265578 | 17779 | 1 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL126103 | 17779 | 1 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL268194 | 17779 | 1 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| 44265578 | 17779 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL126103 | 17779 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL268194 | 17779 | 1 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 576 | 15 | 0 | 4 | 4.7 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10257778 | 116283 | 0 | None | - | 0 | Pig | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 426 | 8 | 0 | 3 | 4.1 | N#Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL1202150 | 116283 | 0 | None | - | 0 | Pig | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 426 | 8 | 0 | 3 | 4.1 | N#Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL33774 | 116283 | 0 | None | - | 0 | Pig | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 426 | 8 | 0 | 3 | 4.1 | N#Cc1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 4.8 | pEC50 | = | 4.8 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 44318815 | 12245 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 902 | 4 | 0 | 4 | 9.7 | FC(F)(F)c1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(C(F)(F)F)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185416 | 12245 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 902 | 4 | 0 | 4 | 9.7 | FC(F)(F)c1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(C(F)(F)F)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL412670 | 12245 | 0 | None | - | 0 | Pig | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 902 | 4 | 0 | 4 | 9.7 | FC(F)(F)c1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(C(F)(F)F)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| 10974720 | 17802 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O | 10.1021/jm020871e | ||
| CHEMBL126199 | 17802 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O | 10.1021/jm020871e | ||
| CHEMBL9071 | 17802 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O | 10.1021/jm020871e | ||
| 10974720 | 17802 | 0 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL126199 | 17802 | 0 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL9071 | 17802 | 0 | None | - | 0 | Pig | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 76325356 | 106030 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 562 | 14 | 0 | 5 | 4.7 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3120178 | 106030 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 562 | 14 | 0 | 5 | 4.7 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140233 | 106030 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 562 | 14 | 0 | 5 | 4.7 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 405246 | 11864 | 1 | None | - | 0 | Pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 654 | 15 | 0 | 4 | 6.5 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL1182976 | 11864 | 1 | None | - | 0 | Pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 654 | 15 | 0 | 4 | 6.5 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL274564 | 11864 | 1 | None | - | 0 | Pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 654 | 15 | 0 | 4 | 6.5 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00012a019 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 10676698 | 11631 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 618 | 13 | 0 | 8 | 3.0 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181450 | 11631 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 618 | 13 | 0 | 8 | 3.0 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL171388 | 11631 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 618 | 13 | 0 | 8 | 3.0 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 10604576 | 104849 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 520 | 15 | 0 | 2 | 4.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL303002 | 104849 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 520 | 15 | 0 | 2 | 4.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31162 | 104849 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 520 | 15 | 0 | 2 | 4.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O | 10.1021/jm021077w | ||
| 10604576 | 104849 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 520 | 15 | 0 | 2 | 4.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O | 10.1021/jm991136e | ||
| CHEMBL303002 | 104849 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 520 | 15 | 0 | 2 | 4.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O | 10.1021/jm991136e | ||
| CHEMBL31162 | 104849 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 520 | 15 | 0 | 2 | 4.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1Cc2ccccc2C1=O)CCCN1Cc2ccccc2C1=O | 10.1021/jm991136e | ||
| 21158560 | 112296 | 4 | None | - | 4 | Pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3305985 | 112296 | 4 | None | - | 4 | Pig | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 11527805 | 12201 | 0 | None | - | 0 | Pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 576 | 13 | 0 | 4 | 4.3 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1OCCC1=O | 10.1021/jm050769s | ||
| CHEMBL1184985 | 12201 | 0 | None | - | 0 | Pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 576 | 13 | 0 | 4 | 4.3 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1OCCC1=O | 10.1021/jm050769s | ||
| CHEMBL381913 | 12201 | 0 | None | - | 0 | Pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 576 | 13 | 0 | 4 | 4.3 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1OCCC1=O | 10.1021/jm050769s | ||
| 11535022 | 11702 | 0 | None | - | 0 | Pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 574 | 13 | 0 | 3 | 4.8 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O | 10.1021/jm050769s | ||
| CHEMBL1181943 | 11702 | 0 | None | - | 0 | Pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 574 | 13 | 0 | 3 | 4.8 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O | 10.1021/jm050769s | ||
| CHEMBL199636 | 11702 | 0 | None | - | 0 | Pig | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 574 | 13 | 0 | 3 | 4.8 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCN1CCCC1=O | 10.1021/jm050769s | ||
| 60138188 | 105969 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138191 | 105969 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121478 | 105969 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139897 | 105969 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 44265574 | 10983 | 0 | None | - | 0 | Pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 676 | 15 | 0 | 4 | 5.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1177964 | 10983 | 0 | None | - | 0 | Pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 676 | 15 | 0 | 4 | 5.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL8764 | 10983 | 0 | None | - | 0 | Pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 676 | 15 | 0 | 4 | 5.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 405250 | 11734 | 1 | None | - | 0 | Pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2cc3ccccc3cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1182178 | 11734 | 1 | None | - | 0 | Pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2cc3ccccc3cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL216974 | 11734 | 1 | None | - | 0 | Pig | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 648 | 15 | 0 | 4 | 6.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc3ccccc3cc2C1=O)CCCN1C(=O)c2cc3ccccc3cc2C1=O | 10.1021/jm021017q | ||
| 76328904 | 105970 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 560 | 10 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121480 | 105970 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 560 | 10 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139898 | 105970 | 0 | None | - | 0 | Guinea pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 560 | 10 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| 11585610 | 12203 | 0 | None | - | 0 | Pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 522 | 13 | 0 | 3 | 3.5 | C[N+](C)(CCCCCC[N+]1(CC#CCN2CCCC2=O)CCCC1)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL1184995 | 12203 | 0 | None | - | 0 | Pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 522 | 13 | 0 | 3 | 3.5 | C[N+](C)(CCCCCC[N+]1(CC#CCN2CCCC2=O)CCCC1)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL382659 | 12203 | 0 | None | - | 0 | Pig | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 522 | 13 | 0 | 3 | 3.5 | C[N+](C)(CCCCCC[N+]1(CC#CCN2CCCC2=O)CCCC1)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| 11757557 | 99651 | 0 | None | - | 0 | Pig | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 401 | 8 | 0 | 2 | 4.2 | Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccccc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL1202151 | 99651 | 0 | None | - | 0 | Pig | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 401 | 8 | 0 | 2 | 4.2 | Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccccc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL287536 | 99651 | 0 | None | - | 0 | Pig | 4.7 | pEC50 | = | 4.7 | Binding | ChEMBL | 401 | 8 | 0 | 2 | 4.2 | Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCC[n+]2ccccc2)cc1 | 10.1021/jm00036a008 | ||
| 44279470 | 101855 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 570 | 16 | 0 | 4 | 3.8 | C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O | 10.1021/jm021077w | ||
| CHEMBL30361 | 101855 | 0 | None | - | 0 | Pig | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 570 | 16 | 0 | 4 | 3.8 | C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)CCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O | 10.1021/jm021077w | ||
| 11094083 | 10984 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 684 | 15 | 0 | 4 | 6.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1177968 | 10984 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 684 | 15 | 0 | 4 | 6.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL8855 | 10984 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 684 | 15 | 0 | 4 | 6.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)CCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O | 10.1021/jm021017q | ||
| 11613432 | 12202 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 4.4 | C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL1184988 | 12202 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 4.4 | C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL382243 | 12202 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 402 | 4 | 0 | 2 | 4.4 | C[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 10747747 | 98620 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 608 | 19 | 0 | 4 | 5.9 | CCOC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OCC | 10.1021/jm021077w | ||
| CHEMBL280535 | 98620 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 608 | 19 | 0 | 4 | 5.9 | CCOC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OCC | 10.1021/jm021077w | ||
| CHEMBL304129 | 98620 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 608 | 19 | 0 | 4 | 5.9 | CCOC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OCC | 10.1021/jm021077w | ||
| 10747747 | 98620 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 608 | 19 | 0 | 4 | 5.9 | CCOC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OCC | 10.1021/jm991136e | ||
| CHEMBL280535 | 98620 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 608 | 19 | 0 | 4 | 5.9 | CCOC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OCC | 10.1021/jm991136e | ||
| CHEMBL304129 | 98620 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 608 | 19 | 0 | 4 | 5.9 | CCOC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OCC | 10.1021/jm991136e | ||
| 44408941 | 11710 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 8 | 0 | 2 | 5.5 | C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL1182020 | 11710 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 8 | 0 | 2 | 5.5 | C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL206666 | 11710 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 454 | 8 | 0 | 2 | 5.5 | C=CC[N+](C)(C)Cc1c2n(c3ccccc13)Cc1c(C[N+](C)(C)CC=C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 10483419 | 110858 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 423 | 11 | 0 | 2 | 5.1 | CC[N+](CC)(CC)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL32689 | 110858 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 423 | 11 | 0 | 2 | 5.1 | CC[N+](CC)(CC)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL539621 | 110858 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 423 | 11 | 0 | 2 | 5.1 | CC[N+](CC)(CC)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| 10771150 | 11633 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 560 | 11 | 0 | 4 | 3.4 | O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181457 | 11633 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 560 | 11 | 0 | 4 | 3.4 | O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL171776 | 11633 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 560 | 11 | 0 | 4 | 3.4 | O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 44278967 | 99309 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 549 | 15 | 0 | 5 | 3.5 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL285136 | 99309 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 549 | 15 | 0 | 5 | 3.5 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccnc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 44279153 | 106528 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 333 | 10 | 1 | 3 | 2.3 | C[N+](C)(CCCCCCO)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31533 | 106528 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 333 | 10 | 1 | 3 | 2.3 | C[N+](C)(CCCCCCO)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00012a019 | ||
| 9987754 | 10977 | 0 | None | - | 0 | Pig | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 612 | 15 | 0 | 4 | 5.5 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1177947 | 10977 | 0 | None | - | 0 | Pig | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 612 | 15 | 0 | 4 | 5.5 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8449 | 10977 | 0 | None | - | 0 | Pig | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 612 | 15 | 0 | 4 | 5.5 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| 10007510 | 109207 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 381 | 8 | 0 | 2 | 3.9 | C[N+](C)(C)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL1202152 | 109207 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 381 | 8 | 0 | 2 | 3.9 | C[N+](C)(C)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL32278 | 109207 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 381 | 8 | 0 | 2 | 3.9 | C[N+](C)(C)CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| 118714979 | 120333 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 586 | 2 | 0 | 2 | 6.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337866 | 120333 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 586 | 2 | 0 | 2 | 6.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558422 | 120333 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 586 | 2 | 0 | 2 | 6.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 10319023 | 110855 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 323 | 6 | 0 | 2 | 4.2 | CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL32688 | 110855 | 0 | None | - | 0 | Pig | 4.6 | pEC50 | = | 4.6 | Binding | ChEMBL | 323 | 6 | 0 | 2 | 4.2 | CCC[n+]1ccc(/C=N/OCc2c(Cl)cccc2Cl)cc1 | 10.1021/jm00036a008 | ||
| 118714979 | 120333 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 586 | 2 | 0 | 2 | 6.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337866 | 120333 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 586 | 2 | 0 | 2 | 6.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558422 | 120333 | 0 | None | - | 0 | Pig | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 586 | 2 | 0 | 2 | 6.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 10770828 | 107105 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 520 | 13 | 0 | 4 | 3.3 | C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL165814 | 107105 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 520 | 13 | 0 | 4 | 3.3 | C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL31895 | 107105 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 520 | 13 | 0 | 4 | 3.3 | C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| 10770828 | 107105 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 520 | 13 | 0 | 4 | 3.3 | C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL165814 | 107105 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 520 | 13 | 0 | 4 | 3.3 | C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31895 | 107105 | 0 | None | - | 0 | Pig | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 520 | 13 | 0 | 4 | 3.3 | C[N+](C)(CCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 154734599 | 2467 | 8 | None | - | 11 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm021077w | ||
| 327 | 2467 | 8 | None | - | 11 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm021077w | ||
| 4108 | 2467 | 8 | None | - | 11 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm021077w | ||
| CHEMBL27673 | 2467 | 8 | None | - | 11 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm021077w | ||
| 44319052 | 11965 | 0 | None | - | 0 | Pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 666 | 4 | 0 | 4 | 5.7 | C=CC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1183674 | 11965 | 0 | None | - | 0 | Pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 666 | 4 | 0 | 4 | 5.7 | C=CC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL311649 | 11965 | 0 | None | - | 0 | Pig | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 666 | 4 | 0 | 4 | 5.7 | C=CC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CC=C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| 44319054 | 11969 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 670 | 4 | 0 | 4 | 6.1 | CCC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CCC)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1183713 | 11969 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 670 | 4 | 0 | 4 | 6.1 | CCC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CCC)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL314491 | 11969 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 670 | 4 | 0 | 4 | 6.1 | CCC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CCC)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| 11115491 | 11820 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 660 | 15 | 0 | 4 | 6.7 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C(C)(C)C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1182715 | 11820 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 660 | 15 | 0 | 4 | 6.7 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C(C)(C)C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL262449 | 11820 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 660 | 15 | 0 | 4 | 6.7 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccc(C(C)(C)C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| 44265538 | 10985 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.4 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1177969 | 10985 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.4 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8900 | 10985 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.4 | CC(C)(C)c1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| 2520 | 202310 | 65 | None | - | 11 | Pig | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1021/jm021077w | ||
| CHEMBL1280 | 202310 | 65 | None | - | 11 | Pig | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1021/jm021077w | ||
| CHEMBL6966 | 202310 | 65 | None | - | 11 | Pig | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 454 | 13 | 0 | 6 | 5.1 | COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC | 10.1021/jm021077w | ||
| 118720626 | 120339 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 844 | 9 | 1 | 7 | 8.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3355097 | 120339 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 844 | 9 | 1 | 7 | 8.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558555 | 120339 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 844 | 9 | 1 | 7 | 8.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 44318760 | 12235 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 856 | 6 | 0 | 8 | 7.5 | O=[N+]([O-])c1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc([N+](=O)[O-])cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185295 | 12235 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 856 | 6 | 0 | 8 | 7.5 | O=[N+]([O-])c1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc([N+](=O)[O-])cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL405691 | 12235 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 856 | 6 | 0 | 8 | 7.5 | O=[N+]([O-])c1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc([N+](=O)[O-])cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| 44279242 | 105103 | 0 | None | - | 0 | Pig | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 494 | 16 | 0 | 4 | 2.7 | CC1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)CC(C)C2=O)C1=O | 10.1021/jm021077w | ||
| CHEMBL31221 | 105103 | 0 | None | - | 0 | Pig | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 494 | 16 | 0 | 4 | 2.7 | CC1CC(=O)N(CCC[N+](C)(C)CCCCCCC[N+](C)(C)CCCN2C(=O)CC(C)C2=O)C1=O | 10.1021/jm021077w | ||
| 118720626 | 120339 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 844 | 9 | 1 | 7 | 8.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3355097 | 120339 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 844 | 9 | 1 | 7 | 8.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558555 | 120339 | 0 | None | - | 0 | Pig | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 844 | 9 | 1 | 7 | 8.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 118714974 | 120331 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 602 | 3 | 1 | 3 | 5.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337862 | 120331 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 602 | 3 | 1 | 3 | 5.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558420 | 120331 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 602 | 3 | 1 | 3 | 5.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 44265563 | 99398 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021077w | ||
| CHEMBL285811 | 99398 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021077w | ||
| CHEMBL8491 | 99398 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021077w | ||
| 44265563 | 99398 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL285811 | 99398 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL8491 | 99398 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| 118714974 | 120331 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 602 | 3 | 1 | 3 | 5.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337862 | 120331 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 602 | 3 | 1 | 3 | 5.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558420 | 120331 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 602 | 3 | 1 | 3 | 5.6 | CC[C@@H]1C[N+]2(C)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C[C@H]7CCO)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 44265563 | 99398 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL285811 | 99398 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8491 | 99398 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 562 | 15 | 0 | 4 | 4.4 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| 118714971 | 120326 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 842 | 6 | 0 | 8 | 7.5 | O=[N+]([O-])c1ccc(C[N+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4[C@@]45CC[N+]7(Cc8ccc([N+](=O)[O-])cc8)CC8=CO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1021/np500259j | ||
| CHEMBL3337860 | 120326 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 842 | 6 | 0 | 8 | 7.5 | O=[N+]([O-])c1ccc(C[N+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4[C@@]45CC[N+]7(Cc8ccc([N+](=O)[O-])cc8)CC8=CO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1021/np500259j | ||
| CHEMBL3558367 | 120326 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 842 | 6 | 0 | 8 | 7.5 | O=[N+]([O-])c1ccc(C[N+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4[C@@]45CC[N+]7(Cc8ccc([N+](=O)[O-])cc8)CC8=CO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1021/np500259j | ||
| 44319263 | 12248 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 886 | 8 | 0 | 8 | 7.7 | COc1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(OC)c(OC)c8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1OC | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185419 | 12248 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 886 | 8 | 0 | 8 | 7.7 | COc1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(OC)c(OC)c8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1OC | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL412718 | 12248 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 886 | 8 | 0 | 8 | 7.7 | COc1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(OC)c(OC)c8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1OC | 10.1016/s0960-894x(00)00509-6 | ||
| 10556700 | 12133 | 0 | None | - | 0 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 546 | 10 | 0 | 4 | 3.0 | O=C1c2ccccc2C(=O)N1CC[n+]1ccc(CCCc2cc[n+](CCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1184494 | 12133 | 0 | None | - | 0 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 546 | 10 | 0 | 4 | 3.0 | O=C1c2ccccc2C(=O)N1CC[n+]1ccc(CCCc2cc[n+](CCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL352356 | 12133 | 0 | None | - | 0 | Pig | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 546 | 10 | 0 | 4 | 3.0 | O=C1c2ccccc2C(=O)N1CC[n+]1ccc(CCCc2cc[n+](CCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 10843180 | 11628 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 674 | 17 | 0 | 8 | 3.8 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181400 | 11628 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 674 | 17 | 0 | 8 | 3.8 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL169638 | 11628 | 0 | None | - | 0 | Pig | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 674 | 17 | 0 | 8 | 3.8 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 118714981 | 120334 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 638 | 6 | 0 | 2 | 7.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337867 | 120334 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 638 | 6 | 0 | 2 | 7.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558423 | 120334 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 638 | 6 | 0 | 2 | 7.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 11828771 | 16559 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL124330 | 16559 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL8729 | 16559 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| 118714981 | 120334 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 638 | 6 | 0 | 2 | 7.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337867 | 120334 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 638 | 6 | 0 | 2 | 7.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558423 | 120334 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 638 | 6 | 0 | 2 | 7.7 | C=CC[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(CC=C)C[C@H]7CC)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)[C@H](CC)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 11115442 | 12236 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 640 | 15 | 0 | 4 | 6.2 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1185309 | 12236 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 640 | 15 | 0 | 4 | 6.2 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL406431 | 12236 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 640 | 15 | 0 | 4 | 6.2 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| 11828771 | 16559 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL124330 | 16559 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8729 | 16559 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 604 | 15 | 0 | 4 | 5.3 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| 168057 | 1187 | 9 | None | - | 1 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm981023f | ||
| 7634 | 1187 | 9 | None | - | 1 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm981023f | ||
| CHEMBL28407 | 1187 | 9 | None | - | 1 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm981023f | ||
| 44318758 | 12211 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 960 | 8 | 0 | 8 | 6.7 | O=C1c2ccccc2C(=O)N1CCC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CCCN7C(=O)c8ccccc8C7=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185047 | 12211 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 960 | 8 | 0 | 8 | 6.7 | O=C1c2ccccc2C(=O)N1CCC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CCCN7C(=O)c8ccccc8C7=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL385915 | 12211 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 960 | 8 | 0 | 8 | 6.7 | O=C1c2ccccc2C(=O)N1CCC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CCCN7C(=O)c8ccccc8C7=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| 76321739 | 105968 | 0 | None | - | 0 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 3.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121477 | 105968 | 0 | None | - | 0 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 3.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139896 | 105968 | 0 | None | - | 0 | Guinea pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 3.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| 10699593 | 98954 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 506 | 12 | 0 | 4 | 2.9 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL282782 | 98954 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 506 | 12 | 0 | 4 | 2.9 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL353262 | 98954 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 506 | 12 | 0 | 4 | 2.9 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| 10699593 | 98954 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 506 | 12 | 0 | 4 | 2.9 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL282782 | 98954 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 506 | 12 | 0 | 4 | 2.9 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL353262 | 98954 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 506 | 12 | 0 | 4 | 2.9 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 168057 | 1187 | 9 | None | - | 1 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021077w | ||
| 7634 | 1187 | 9 | None | - | 1 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021077w | ||
| CHEMBL28407 | 1187 | 9 | None | - | 1 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/jm021077w | ||
| 44279691 | 99280 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 664 | 15 | 0 | 4 | 5.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)CC2c3ccccc3C(C1=O)c1ccccc12)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL284962 | 99280 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 664 | 15 | 0 | 4 | 5.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)CC2c3ccccc3C(C1=O)c1ccccc12)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 10909212 | 12265 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 804 | 15 | 0 | 4 | 7.3 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O | 10.1021/jm021017q | ||
| CHEMBL1185516 | 12265 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 804 | 15 | 0 | 4 | 7.3 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O | 10.1021/jm021017q | ||
| CHEMBL418702 | 12265 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 804 | 15 | 0 | 4 | 7.3 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O)CCCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O | 10.1021/jm021017q | ||
| 44319178 | 12301 | 0 | None | - | 0 | Pig | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 662 | 2 | 0 | 4 | 4.6 | C#CC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CC#C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185797 | 12301 | 0 | None | - | 0 | Pig | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 662 | 2 | 0 | 4 | 4.6 | C#CC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CC#C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL433343 | 12301 | 0 | None | - | 0 | Pig | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 662 | 2 | 0 | 4 | 4.6 | C#CC[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(CC#C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| 405242 | 11862 | 1 | None | - | 0 | Pig | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1182967 | 11862 | 1 | None | - | 0 | Pig | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL274413 | 11862 | 1 | None | - | 0 | Pig | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 23657556 | 12954 | 0 | None | - | 0 | Pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 608 | 16 | 3 | 5 | 6.5 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL1190116 | 12954 | 0 | None | - | 0 | Pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 608 | 16 | 3 | 5 | 6.5 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL540131 | 12954 | 0 | None | - | 0 | Pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 608 | 16 | 3 | 5 | 6.5 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| 118714972 | 114091 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 572 | 3 | 1 | 5 | 5.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CCO | 10.1021/np500259j | ||
| CHEMBL3337861 | 114091 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 572 | 3 | 1 | 5 | 5.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CCO | 10.1021/np500259j | ||
| 10442337 | 202250 | 2 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69305 | 202250 | 2 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 182 | 2 | 1 | 4 | 1.1 | CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 118714972 | 114091 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 572 | 3 | 1 | 5 | 5.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CCO | 10.1021/np500259j | ||
| CHEMBL3337861 | 114091 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 572 | 3 | 1 | 5 | 5.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CCO | 10.1021/np500259j | ||
| 10461289 | 112207 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 444 | 9 | 0 | 3 | 4.3 | CN(C)c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL1202148 | 112207 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 444 | 9 | 0 | 3 | 4.3 | CN(C)c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL33044 | 112207 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 444 | 9 | 0 | 3 | 4.3 | CN(C)c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 10442081 | 102135 | 9 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL304142 | 102135 | 9 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 168 | 1 | 1 | 4 | 0.7 | COc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 168927 | 139639 | 6 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 584 | 0 | 0 | 6 | 4.3 | C1=C2CN3CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@H]43 | 10.1021/np500259j | ||
| CHEMBL380352 | 139639 | 6 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 584 | 0 | 0 | 6 | 4.3 | C1=C2CN3CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@H]43 | 10.1021/np500259j | ||
| 168927 | 139639 | 6 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 584 | 0 | 0 | 6 | 4.3 | C1=C2CN3CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@H]43 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL380352 | 139639 | 6 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 584 | 0 | 0 | 6 | 4.3 | C1=C2CN3CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@H]35)[C@@H](OC1)N1c2ccccc2[C@@]23CCN4CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@H]43 | 10.1016/j.bmcl.2005.12.030 | ||
| 10009514 | 200483 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 654 | 17 | 0 | 6 | 7.2 | O=C1c2ccccc2C(=O)N1CCCN(CCCCCCN(CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1)C1CCCCC1 | 10.1021/jm021077w | ||
| CHEMBL609382 | 200483 | 0 | None | - | 0 | Pig | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 654 | 17 | 0 | 6 | 7.2 | O=C1c2ccccc2C(=O)N1CCCN(CCCCCCN(CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1)C1CCCCC1 | 10.1021/jm021077w | ||
| 10974913 | 10987 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 684 | 15 | 0 | 4 | 6.1 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1177971 | 10987 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 684 | 15 | 0 | 4 | 6.1 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL9017 | 10987 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 684 | 15 | 0 | 4 | 6.1 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O | 10.1021/jm021017q | ||
| 44408892 | 74802 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 4 | 4.1 | CN(C)Cc1c2n(c3ccccc13)Cc1c(CN(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL203627 | 74802 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 372 | 4 | 0 | 4 | 4.1 | CN(C)Cc1c2n(c3ccccc13)Cc1c(CN(C)C)c3ccccc3n1C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 44279471 | 99531 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 574 | 16 | 0 | 4 | 4.2 | C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O | 10.1021/jm021077w | ||
| CHEMBL286686 | 99531 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 574 | 16 | 0 | 4 | 4.2 | C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O)CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O | 10.1021/jm021077w | ||
| 10032676 | 11627 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 702 | 19 | 0 | 8 | 4.6 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181399 | 11627 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 702 | 19 | 0 | 8 | 4.6 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL169633 | 11627 | 0 | None | - | 0 | Pig | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 702 | 19 | 0 | 8 | 4.6 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 10077592 | 116082 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 458 | 10 | 0 | 4 | 4.2 | CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL33656 | 116082 | 0 | None | - | 0 | Pig | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 458 | 10 | 0 | 4 | 4.2 | CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 44265498 | 110835 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 584 | 15 | 0 | 4 | 4.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL32676 | 110835 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 584 | 15 | 0 | 4 | 4.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL8669 | 110835 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 584 | 15 | 0 | 4 | 4.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 44265498 | 110835 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 584 | 15 | 0 | 4 | 4.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL32676 | 110835 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 584 | 15 | 0 | 4 | 4.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL8669 | 110835 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 584 | 15 | 0 | 4 | 4.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 76328904 | 105970 | 0 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 560 | 10 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121480 | 105970 | 0 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 560 | 10 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139898 | 105970 | 0 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 560 | 10 | 0 | 5 | 4.4 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| 10009225 | 96066 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 632 | 15 | 0 | 4 | 6.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL262632 | 96066 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 632 | 15 | 0 | 4 | 6.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL8531 | 96066 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 632 | 15 | 0 | 4 | 6.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm020871e | ||
| 10009225 | 96066 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 632 | 15 | 0 | 4 | 6.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL262632 | 96066 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 632 | 15 | 0 | 4 | 6.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8531 | 96066 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 632 | 15 | 0 | 4 | 6.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccc(C)cc3C1=O)C2=O | 10.1021/jm021017q | ||
| 10747449 | 12140 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 560 | 11 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(-c2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1184538 | 12140 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 560 | 11 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(-c2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL354750 | 12140 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 560 | 11 | 0 | 4 | 4.1 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(-c2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 10461019 | 12134 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 588 | 13 | 0 | 4 | 4.2 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1184498 | 12134 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 588 | 13 | 0 | 4 | 4.2 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL352486 | 12134 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 588 | 13 | 0 | 4 | 4.2 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 10101670 | 1481 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 10.1021/jm00036a008 | ||
| 7635 | 1481 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 10.1021/jm00036a008 | ||
| CHEMBL32985 | 1481 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 602 | 12 | 0 | 4 | 7.1 | Clc1cccc(c1CO/N=C/c1cc[n+](cc1)CCC[n+]1ccc(cc1)/C=N/OCc1c(Cl)cccc1Cl)Cl | 10.1021/jm00036a008 | ||
| 118720628 | 120340 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 828 | 8 | 0 | 6 | 9.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3355098 | 120340 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 828 | 8 | 0 | 6 | 9.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558556 | 120340 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 828 | 8 | 0 | 6 | 9.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 10509176 | 12139 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 574 | 12 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1184534 | 12139 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 574 | 12 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL354673 | 12139 | 0 | None | - | 0 | Pig | 5.3 | pEC50 | = | 5.3 | Binding | ChEMBL | 574 | 12 | 0 | 4 | 3.8 | O=C1c2ccccc2C(=O)N1CCC[n+]1ccc(CCCc2cc[n+](CCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 118720628 | 120340 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 828 | 8 | 0 | 6 | 9.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3355098 | 120340 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 828 | 8 | 0 | 6 | 9.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558556 | 120340 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 828 | 8 | 0 | 6 | 9.5 | CC[C@@H]1C[N+]2(Cc3ccc([N+](=O)[O-])cc3)CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(Cc8ccc([N+](=O)[O-])cc8)C[C@H]7CC)c7ccccc7N(/C=C(/[C@H]1C[C@@H]32)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 23657556 | 12954 | 0 | None | - | 0 | Pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 608 | 16 | 3 | 5 | 6.5 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL1190116 | 12954 | 0 | None | - | 0 | Pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 608 | 16 | 3 | 5 | 6.5 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| CHEMBL540131 | 12954 | 0 | None | - | 0 | Pig | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 608 | 16 | 3 | 5 | 6.5 | CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 | 10.1021/jm070859s | ||
| 76325356 | 106030 | 0 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 562 | 14 | 0 | 5 | 4.7 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3120178 | 106030 | 0 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 562 | 14 | 0 | 5 | 4.7 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140233 | 106030 | 0 | None | - | 0 | Guinea pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 562 | 14 | 0 | 5 | 4.7 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 11505653 | 12204 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 496 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOc1ccon1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL1185000 | 12204 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 496 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOc1ccon1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL382846 | 12204 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 496 | 14 | 0 | 5 | 3.5 | C[N+](C)(CC#CCOc1ccon1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| 118714977 | 114092 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 556 | 2 | 0 | 4 | 6.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CC | 10.1021/np500259j | ||
| CHEMBL3337865 | 114092 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 556 | 2 | 0 | 4 | 6.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CC | 10.1021/np500259j | ||
| 118714977 | 114092 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 556 | 2 | 0 | 4 | 6.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CC | 10.1021/np500259j | ||
| CHEMBL3337865 | 114092 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 556 | 2 | 0 | 4 | 6.3 | CC[C@@H]1CN2CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@@H]8N(CC[C@@]89c8ccccc8N(/C=C(/[C@H]1C[C@H]23)[C@H]54)[C@@H]69)C[C@H]7CC | 10.1021/np500259j | ||
| 10963807 | 10976 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.1 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1177938 | 10976 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.1 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| CHEMBL7902 | 10976 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 616 | 15 | 0 | 4 | 5.1 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccc(C(F)(F)F)cc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021017q | ||
| 44319265 | 12238 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 922 | 4 | 0 | 4 | 9.2 | Brc1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(Br)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1185319 | 12238 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 922 | 4 | 0 | 4 | 9.2 | Brc1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(Br)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL407071 | 12238 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 922 | 4 | 0 | 4 | 9.2 | Brc1ccc(C[N+]23CCC45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4C45CC[N+]7(Cc8ccc(Br)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1 | 10.1016/s0960-894x(00)00509-6 | ||
| 10794637 | 11623 | 0 | None | - | 0 | Pig | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 518 | 8 | 0 | 4 | 2.9 | O=C1c2ccccc2C(=O)N1C[n+]1ccc(CCCc2cc[n+](CN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181384 | 11623 | 0 | None | - | 0 | Pig | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 518 | 8 | 0 | 4 | 2.9 | O=C1c2ccccc2C(=O)N1C[n+]1ccc(CCCc2cc[n+](CN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL169133 | 11623 | 0 | None | - | 0 | Pig | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 518 | 8 | 0 | 4 | 2.9 | O=C1c2ccccc2C(=O)N1C[n+]1ccc(CCCc2cc[n+](CN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 44381306 | 11624 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 12 | 0 | 8 | 2.6 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181388 | 11624 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 12 | 0 | 8 | 2.6 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL169342 | 11624 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 12 | 0 | 8 | 2.6 | O=C1c2ccccc2C(=O)N1CO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 10843237 | 12138 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 688 | 18 | 0 | 8 | 4.2 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1184525 | 12138 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 688 | 18 | 0 | 8 | 4.2 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL354103 | 12138 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 688 | 18 | 0 | 8 | 4.2 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 11104735 | 10978 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL1177953 | 10978 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL8518 | 10978 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 626 | 15 | 0 | 4 | 5.9 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| 10676884 | 11626 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 660 | 16 | 0 | 8 | 3.4 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181392 | 11626 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 660 | 16 | 0 | 8 | 3.4 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL169475 | 11626 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 660 | 16 | 0 | 8 | 3.4 | O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 10509365 | 106398 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 19 | 0 | 4 | 5.6 | C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31452 | 106398 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 19 | 0 | 4 | 5.6 | C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL352323 | 106398 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 19 | 0 | 4 | 5.6 | C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 10509365 | 106398 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 19 | 0 | 4 | 5.6 | C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL31452 | 106398 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 19 | 0 | 4 | 5.6 | C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL352323 | 106398 | 0 | None | - | 0 | Pig | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 604 | 19 | 0 | 4 | 5.6 | C[N+](C)(CCCCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| 10069369 | 99243 | 0 | None | - | 0 | Pig | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 317 | 9 | 0 | 2 | 3.3 | CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL284672 | 99243 | 0 | None | - | 0 | Pig | 4.3 | pEC50 | = | 4.3 | Binding | ChEMBL | 317 | 9 | 0 | 2 | 3.3 | CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 10348407 | 16120 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL122499 | 16120 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL267482 | 16120 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| 10348407 | 16120 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL122499 | 16120 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL267482 | 16120 | 0 | None | - | 0 | Pig | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CC(C)(C)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| 10818763 | 106504 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 576 | 17 | 0 | 4 | 4.9 | C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL169001 | 106504 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 576 | 17 | 0 | 4 | 4.9 | C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL31518 | 106504 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 576 | 17 | 0 | 4 | 4.9 | C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| 10818763 | 106504 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 576 | 17 | 0 | 4 | 4.9 | C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL169001 | 106504 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 576 | 17 | 0 | 4 | 4.9 | C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31518 | 106504 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 576 | 17 | 0 | 4 | 4.9 | C[N+](C)(CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 11422540 | 200448 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 682 | 17 | 0 | 6 | 7.8 | Cc1ccc2c(c1)C(=O)N(CCCN(CCCCCCN(CCCN1C(=O)c3ccc(C)cc3C1=O)C1CCCCC1)C1CCCCC1)C2=O | 10.1021/jm021077w | ||
| CHEMBL609120 | 200448 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 682 | 17 | 0 | 6 | 7.8 | Cc1ccc2c(c1)C(=O)N(CCCN(CCCCCCN(CCCN1C(=O)c3ccc(C)cc3C1=O)C1CCCCC1)C1CCCCC1)C2=O | 10.1021/jm021077w | ||
| 10261985 | 202251 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| CHEMBL69306 | 202251 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 192 | 2 | 1 | 4 | 0.7 | C#CCOc1noc2c1CNCCC2 | 10.1021/jm00012a019 | ||
| 11671915 | 11698 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 496 | 13 | 0 | 3 | 3.0 | C[N+](C)(CC#CCN1CCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL1181935 | 11698 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 496 | 13 | 0 | 3 | 3.0 | C[N+](C)(CC#CCN1CCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL197604 | 11698 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 496 | 13 | 0 | 3 | 3.0 | C[N+](C)(CC#CCN1CCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| 134207690 | 174073 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 434 | 4 | 2 | 9 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(C6CC6)nc5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4558206 | 174073 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 434 | 4 | 2 | 9 | 2.4 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(C6CC6)nc5)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 11756054 | 110375 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 429 | 9 | 0 | 3 | 5.5 | COc1ccc(CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL32609 | 110375 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 429 | 9 | 0 | 3 | 5.5 | COc1ccc(CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1 | 10.1021/jm00036a008 | ||
| 10747380 | 104388 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 2 | 4 | 3.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1O)CCCN1C(=O)c2ccccc2C1O | 10.1021/jm021077w | ||
| CHEMBL31103 | 104388 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 2 | 4 | 3.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1O)CCCN1C(=O)c2ccccc2C1O | 10.1021/jm021077w | ||
| CHEMBL68393 | 104388 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 2 | 4 | 3.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1O)CCCN1C(=O)c2ccccc2C1O | 10.1021/jm021077w | ||
| 10747380 | 104388 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 2 | 4 | 3.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1O)CCCN1C(=O)c2ccccc2C1O | 10.1021/jm991136e | ||
| CHEMBL31103 | 104388 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 2 | 4 | 3.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1O)CCCN1C(=O)c2ccccc2C1O | 10.1021/jm991136e | ||
| CHEMBL68393 | 104388 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 2 | 4 | 3.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1O)CCCN1C(=O)c2ccccc2C1O | 10.1021/jm991136e | ||
| 10077281 | 103630 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL30939 | 103630 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL8653 | 103630 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 598 | 15 | 0 | 4 | 5.2 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 10509354 | 11622 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 602 | 14 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL1181373 | 11622 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 602 | 14 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| CHEMBL168613 | 11622 | 0 | None | - | 0 | Pig | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 602 | 14 | 0 | 4 | 4.6 | O=C1c2ccccc2C(=O)N1CCCC[n+]1ccc(CCCc2cc[n+](CCCCN3C(=O)c4ccccc4C3=O)cc2)cc1 | 10.1021/jm981023f | ||
| 1935 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| 2551 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| 6687 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| DB00382 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| 11083080 | 10982 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 0 | 8 | 1.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2nccnc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1177963 | 10982 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 0 | 8 | 1.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2nccnc2C1=O | 10.1021/jm021017q | ||
| CHEMBL8763 | 10982 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 552 | 15 | 0 | 8 | 1.7 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2nccnc2C1=O)CCCN1C(=O)c2nccnc2C1=O | 10.1021/jm021017q | ||
| 1935 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| 2551 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| 6687 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| DB00382 | 3677 | 92 | None | - | 6 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm070859s | ||
| 53382542 | 85886 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| CHEMBL2313377 | 85886 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 295 | 2 | 2 | 4 | 3.0 | Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl | 10.1016/j.bmcl.2012.10.073 | ||
| 134207682 | 173072 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 461 | 3 | 2 | 8 | 3.5 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cc(Cl)ncc5Cl)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| CHEMBL4534301 | 173072 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 461 | 3 | 2 | 8 | 3.5 | Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cc(Cl)ncc5Cl)C4)sc3n2n1 | 10.1016/j.bmcl.2019.06.032 | ||
| 10055492 | 105696 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL31376 | 105696 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL3350263 | 105696 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm021077w | ||
| 11504244 | 106037 | 0 | None | - | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138185 | 106037 | 0 | None | - | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121474 | 106037 | 0 | None | - | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140249 | 106037 | 0 | None | - | 2 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 10055492 | 105696 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL31376 | 105696 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL3350263 | 105696 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm991136e | ||
| 10818794 | 101697 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 580 | 17 | 0 | 4 | 5.1 | COC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC | 10.1021/jm021077w | ||
| CHEMBL30264 | 101697 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 580 | 17 | 0 | 4 | 5.1 | COC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC | 10.1021/jm021077w | ||
| CHEMBL73114 | 101697 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 580 | 17 | 0 | 4 | 5.1 | COC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC | 10.1021/jm021077w | ||
| 10818794 | 101697 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 580 | 17 | 0 | 4 | 5.1 | COC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC | 10.1021/jm991136e | ||
| CHEMBL30264 | 101697 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 580 | 17 | 0 | 4 | 5.1 | COC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC | 10.1021/jm991136e | ||
| CHEMBL73114 | 101697 | 0 | None | - | 0 | Pig | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 580 | 17 | 0 | 4 | 5.1 | COC1c2ccccc2C(=O)N1CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1OC | 10.1021/jm991136e | ||
| 71717892 | 88649 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 766 | 4 | 0 | 4 | 7.7 | C1=C2C[N@+]3(Cc4ccccc4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(Cc5ccccc5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL2311018 | 88649 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 766 | 4 | 0 | 4 | 7.7 | C1=C2C[N@+]3(Cc4ccccc4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(Cc5ccccc5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL2365146 | 88649 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 766 | 4 | 0 | 4 | 7.7 | C1=C2C[N@+]3(Cc4ccccc4)CC[C@]45c6ccccc6N6[C@H]4[C@@H]([C@H]2C[C@@H]53)[C@@H](OC1)N1c2ccccc2[C@@]23CC[N@@+]4(Cc5ccccc5)CC5=CCO[C@@H]6[C@@H]([C@H]12)[C@H]5C[C@@H]34 | 10.1016/s0960-894x(00)00509-6 | ||
| 76321739 | 105968 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 3.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121477 | 105968 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 3.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139896 | 105968 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 510 | 10 | 0 | 5 | 3.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+]1(C)CCC(N2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.ejmech.2014.01.032 | ||
| 60138189 | 106038 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138190 | 106038 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121476 | 106038 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140252 | 106038 | 0 | None | - | 0 | Guinea pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 526 | 15 | 0 | 5 | 3.9 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138187 | 105967 | 0 | None | - | 0 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138192 | 105967 | 0 | None | - | 0 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121479 | 105967 | 0 | None | - | 0 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139879 | 105967 | 0 | None | - | 0 | Guinea pig | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 576 | 15 | 0 | 5 | 5.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 405244 | 12237 | 1 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 640 | 15 | 0 | 4 | 6.2 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL1185313 | 12237 | 1 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 640 | 15 | 0 | 4 | 6.2 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL406691 | 12237 | 1 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 640 | 15 | 0 | 4 | 6.2 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3cccc4cccc(c34)C1=O)C2=O | 10.1021/jm021017q | ||
| 60138188 | 105969 | 0 | None | - | 0 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138191 | 105969 | 0 | None | - | 0 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121478 | 105969 | 0 | None | - | 0 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3139897 | 105969 | 0 | None | - | 0 | Guinea pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 548 | 13 | 0 | 5 | 4.3 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 11768033 | 11846 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 676 | 15 | 0 | 4 | 7.0 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL1182845 | 11846 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 676 | 15 | 0 | 4 | 7.0 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL269592 | 11846 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 676 | 15 | 0 | 4 | 7.0 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| 10843266 | 110074 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL32530 | 110074 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL68936 | 110074 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 | 10.1021/jm021077w | ||
| 10985526 | 18633 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL127933 | 18633 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| CHEMBL8983 | 18633 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm020871e | ||
| 10985526 | 18633 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL127933 | 18633 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| CHEMBL8983 | 18633 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 590 | 15 | 0 | 4 | 5.0 | Cc1ccc2c(c1)C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c3ccccc3C1=O)C2=O | 10.1021/jm021017q | ||
| 10843266 | 110074 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL32530 | 110074 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL68936 | 110074 | 0 | None | - | 0 | Pig | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C\c1ccccc1 | 10.1021/jm991136e | ||
| 11353863 | 200449 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 596 | 19 | 0 | 8 | 4.4 | N#CCCN(CCCCCCN(CCC#N)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL609124 | 200449 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 596 | 19 | 0 | 8 | 4.4 | N#CCCN(CCCCCCN(CCC#N)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00012a019 | ||
| 132986 | 99152 | 1 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 702 | 17 | 2 | 4 | 7.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)NC1c1ccccc1)CCCN1c2ccccc2C(=O)NC1c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL284055 | 99152 | 1 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 702 | 17 | 2 | 4 | 7.4 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1c2ccccc2C(=O)NC1c1ccccc1)CCCN1c2ccccc2C(=O)NC1c1ccccc1 | 10.1021/jm021077w | ||
| 405248 | 11840 | 1 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 620 | 15 | 0 | 4 | 4.6 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2cc(F)c(F)cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL1182821 | 11840 | 1 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 620 | 15 | 0 | 4 | 4.6 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2cc(F)c(F)cc2C1=O | 10.1021/jm021017q | ||
| CHEMBL268195 | 11840 | 1 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 620 | 15 | 0 | 4 | 4.6 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cc(F)c(F)cc2C1=O)CCCN1C(=O)c2cc(F)c(F)cc2C1=O | 10.1021/jm021017q | ||
| 10509706 | 95993 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 672 | 17 | 0 | 2 | 8.0 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1c1ccccc1)CCCN1C(=O)c2ccccc2C1c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL262124 | 95993 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 672 | 17 | 0 | 2 | 8.0 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1c1ccccc1)CCCN1C(=O)c2ccccc2C1c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL303624 | 95993 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 672 | 17 | 0 | 2 | 8.0 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1c1ccccc1)CCCN1C(=O)c2ccccc2C1c1ccccc1 | 10.1021/jm021077w | ||
| 10509706 | 95993 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 672 | 17 | 0 | 2 | 8.0 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1c1ccccc1)CCCN1C(=O)c2ccccc2C1c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL262124 | 95993 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 672 | 17 | 0 | 2 | 8.0 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1c1ccccc1)CCCN1C(=O)c2ccccc2C1c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL303624 | 95993 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 672 | 17 | 0 | 2 | 8.0 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1c1ccccc1)CCCN1C(=O)c2ccccc2C1c1ccccc1 | 10.1021/jm991136e | ||
| 10348116 | 104339 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 574 | 16 | 0 | 4 | 4.2 | C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O | 10.1021/jm021077w | ||
| CHEMBL31097 | 104339 | 0 | None | - | 0 | Pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 574 | 16 | 0 | 4 | 4.2 | C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)CCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O | 10.1021/jm021077w | ||
| 44319180 | 11972 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 614 | 0 | 0 | 4 | 4.6 | C[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL1183728 | 11972 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 614 | 0 | 0 | 4 | 4.6 | C[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| CHEMBL315340 | 11972 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 614 | 0 | 0 | 4 | 4.6 | C[N+]12CCC34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3C34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/s0960-894x(00)00509-6 | ||
| 118714967 | 120329 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 600 | 0 | 0 | 4 | 4.5 | C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1021/np500259j | ||
| CHEMBL3337858 | 120329 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 600 | 0 | 0 | 4 | 4.5 | C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1021/np500259j | ||
| CHEMBL3558416 | 120329 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 600 | 0 | 0 | 4 | 4.5 | C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1021/np500259j | ||
| 46878256 | 14049 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 614 | 0 | 0 | 4 | 4.6 | C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL1198561 | 14049 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 614 | 0 | 0 | 4 | 4.6 | C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/j.bmcl.2005.12.030 | ||
| CHEMBL607179 | 14049 | 0 | None | - | 0 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 614 | 0 | 0 | 4 | 4.6 | C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(C)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 | 10.1016/j.bmcl.2005.12.030 | ||
| 11115574 | 10980 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 704 | 15 | 0 | 4 | 7.7 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL1177955 | 10980 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 704 | 15 | 0 | 4 | 7.7 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| CHEMBL8532 | 10980 | 0 | None | - | 0 | Pig | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 704 | 15 | 0 | 4 | 7.7 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)(C)CN1C(=O)c2cccc3cccc(c23)C1=O | 10.1021/jm021017q | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00050a006 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00050a006 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00050a006 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00050a006 | ||
| 11636025 | 11704 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 4 | 2.6 | C[N+](C)(CC#CCN1OCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL1181949 | 11704 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 4 | 2.6 | C[N+](C)(CC#CCN1OCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| CHEMBL201016 | 11704 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 4 | 2.6 | C[N+](C)(CC#CCN1OCCC1=O)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm050769s | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 10748143 | 99201 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL2111531 | 99201 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL284393 | 99201 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm021077w | ||
| 10748143 | 99201 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL2111531 | 99201 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm991136e | ||
| CHEMBL284393 | 99201 | 0 | None | - | 0 | Pig | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 696 | 17 | 0 | 2 | 8.8 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1)CCCN1C(=O)c2ccccc2/C1=C/c1ccccc1 | 10.1021/jm991136e | ||
| 11504244 | 106037 | 0 | None | - | 2 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 60138185 | 106037 | 0 | None | - | 2 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3121474 | 106037 | 0 | None | - | 2 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| CHEMBL3140249 | 106037 | 0 | None | - | 2 | Guinea pig | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1016/j.ejmech.2014.01.032 | ||
| 10767691 | 107273 | 0 | None | - | 0 | Pig | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 2.4 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL171215 | 107273 | 0 | None | - | 0 | Pig | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 2.4 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| CHEMBL31915 | 107273 | 0 | None | - | 0 | Pig | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 2.4 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm021077w | ||
| 10767691 | 107273 | 0 | None | - | 0 | Pig | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 2.4 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL171215 | 107273 | 0 | None | - | 0 | Pig | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 2.4 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| CHEMBL31915 | 107273 | 0 | None | - | 0 | Pig | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 420 | 8 | 0 | 4 | 2.4 | C[N+](C)(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm981023f | ||
| 10050814 | 109305 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 399 | 8 | 0 | 2 | 5.5 | Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCCc2ccccc2)cc1 | 10.1021/jm00036a008 | ||
| CHEMBL32329 | 109305 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 399 | 8 | 0 | 2 | 5.5 | Clc1cccc(Cl)c1CO/N=C/c1cc[n+](CCCc2ccccc2)cc1 | 10.1021/jm00036a008 | ||
| 102070733 | 120328 | 0 | None | - | 0 | Pig | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 614 | 2 | 2 | 4 | 4.4 | C[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3337857 | 120328 | 0 | None | - | 0 | Pig | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 614 | 2 | 2 | 4 | 4.4 | C[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| CHEMBL3558415 | 120328 | 0 | None | - | 0 | Pig | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 614 | 2 | 2 | 4 | 4.4 | C[N+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N+]8(C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | 10.1021/np500259j | ||
| 44340802 | 61802 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 500 | 15 | 0 | 4 | 2.9 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)CCC1=O | 10.1021/jm021077w | ||
| CHEMBL177732 | 61802 | 0 | None | - | 0 | Pig | 5.0 | pEC50 | = | 5.0 | Binding | ChEMBL | 500 | 15 | 0 | 4 | 2.9 | C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)CCC1=O | 10.1021/jm021077w | ||
| 11331580 | 200450 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 726 | 23 | 0 | 6 | 7.8 | O=C1c2ccccc2C(=O)N1CCCN(CCCCCCN(CCCc1ccccc1)CCCN1C(=O)c2ccccc2C1=O)CCCc1ccccc1 | 10.1021/jm021077w | ||
| CHEMBL609125 | 200450 | 0 | None | - | 0 | Pig | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 726 | 23 | 0 | 6 | 7.8 | O=C1c2ccccc2C(=O)N1CCCN(CCCCCCN(CCCc1ccccc1)CCCN1C(=O)c2ccccc2C1=O)CCCc1ccccc1 | 10.1021/jm021077w | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2010.10.016 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pIC50 | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2011.10.002 | ||
| 11434515 | 259 | 3 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 11519741 | 259 | 3 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 4484 | 259 | 3 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 7449 | 259 | 3 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1194325 | 259 | 3 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| DB08897 | 259 | 3 | None | -6 | 5 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmcl.2010.10.016 | ||
| 10143956 | 13798 | 0 | None | 1 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL1196359 | 13798 | 0 | None | 1 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL556635 | 13798 | 0 | None | 1 | 3 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 11693 | 1797 | 12 | None | -2 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2011.10.002 | ||
| 3494 | 1797 | 12 | None | -2 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2011.10.002 | ||
| 4302 | 1797 | 12 | None | -2 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2011.10.002 | ||
| 7459 | 1797 | 12 | None | -2 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2011.10.002 | ||
| CHEMBL1201335 | 1797 | 12 | None | -2 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2011.10.002 | ||
| DB00986 | 1797 | 12 | None | -2 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2011.10.002 | ||
| 11434515 | 259 | 3 | None | -6 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11519741 | 259 | 3 | None | -6 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 4484 | 259 | 3 | None | -6 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 7449 | 259 | 3 | None | -6 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| CHEMBL1194325 | 259 | 3 | None | -6 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| DB08897 | 259 | 3 | None | -6 | 5 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 44233403 | 13788 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1196247 | 13788 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL556222 | 13788 | 0 | None | - | 0 | Human | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 44233401 | 13513 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 | 10.1021/jm900132z | ||
| CHEMBL1194321 | 13513 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 | 10.1021/jm900132z | ||
| CHEMBL551327 | 13513 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccsc1)c1ccsc1 | 10.1021/jm900132z | ||
| 11852298 | 13912 | 0 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197251 | 13912 | 0 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564057 | 13912 | 0 | None | -1 | 3 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 155566290 | 176006 | 0 | None | 25 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | 25 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | 25 | 5 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2015.02.065 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 44232930 | 195018 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564747 | 195018 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 44232931 | 194707 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL562642 | 194707 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 44232927 | 193667 | 7 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 349 | 4 | 1 | 6 | 2.7 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL551729 | 193667 | 7 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 349 | 4 | 1 | 6 | 2.7 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 44236098 | 193975 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL556426 | 193975 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 343 | 4 | 1 | 5 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 44233177 | 13787 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.7 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1196246 | 13787 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.7 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL556221 | 13787 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 484 | 7 | 0 | 4 | 5.7 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44232685 | 13915 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197273 | 13915 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564765 | 13915 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 478 | 9 | 1 | 5 | 4.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1ccccc1)c1cccs1 | 10.1021/jm900132z | ||
| 20735153 | 13512 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 468 | 9 | 0 | 5 | 5.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1194314 | 13512 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 468 | 9 | 0 | 5 | 5.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL551063 | 13512 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 468 | 9 | 0 | 5 | 5.6 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 11489419 | 13507 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 448 | 10 | 1 | 5 | 5.2 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL1194274 | 13507 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 448 | 10 | 1 | 5 | 5.2 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL549784 | 13507 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 448 | 10 | 1 | 5 | 5.2 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| 44233173 | 13906 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197216 | 13906 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL562890 | 13906 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 486 | 7 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44236340 | 13680 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 5.2 | O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1195513 | 13680 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 5.2 | O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL554725 | 13680 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 482 | 9 | 1 | 5 | 5.2 | O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 688566 | 194210 | 21 | None | - | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| CHEMBL558910 | 194210 | 21 | None | - | 3 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| 49800047 | 14334 | 1 | None | -1 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201024 | 14334 | 1 | None | -1 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201268 | 14334 | 1 | None | -1 | 5 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| 44232683 | 13515 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| CHEMBL1194336 | 13515 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| CHEMBL551731 | 13515 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm900132z | ||
| 44236336 | 13899 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 2.8 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL1197131 | 13899 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 2.8 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| CHEMBL560327 | 13899 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 364 | 4 | 1 | 5 | 2.8 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2 | 10.1021/jm900132z | ||
| 11693 | 1797 | 12 | None | -2 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 3494 | 1797 | 12 | None | -2 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 4302 | 1797 | 12 | None | -2 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 7459 | 1797 | 12 | None | -2 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1201335 | 1797 | 12 | None | -2 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| DB00986 | 1797 | 12 | None | -2 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmcl.2010.10.016 | ||
| 9913341 | 81746 | 3 | None | -3 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 81746 | 3 | None | -3 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 81746 | 3 | None | -3 | 5 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 44236101 | 13914 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 456 | 5 | 1 | 4 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197261 | 13914 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 456 | 5 | 1 | 4 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL564515 | 13914 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 456 | 5 | 1 | 4 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44236099 | 193882 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL554699 | 193882 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 335 | 4 | 1 | 5 | 2.8 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 10007638 | 120363 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 467 | 8 | 2 | 4 | 4.4 | O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401648 | 120363 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 467 | 8 | 2 | 4 | 4.4 | O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559195 | 120363 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 467 | 8 | 2 | 4 | 4.4 | O=C(N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 67548926 | 120365 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 473 | 8 | 2 | 5 | 4.5 | O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401649 | 120365 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 473 | 8 | 2 | 5 | 4.5 | O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559201 | 120365 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 473 | 8 | 2 | 5 | 4.5 | O=C(N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 9809330 | 115499 | 0 | None | 8 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| CHEMBL335542 | 115499 | 0 | None | 8 | 5 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| 44232681 | 13901 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 482 | 9 | 0 | 5 | 5.7 | CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197156 | 13901 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 482 | 9 | 0 | 5 | 5.7 | CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL561187 | 13901 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 482 | 9 | 0 | 5 | 5.7 | CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 10325942 | 120366 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 469 | 8 | 2 | 5 | 3.9 | O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401650 | 120366 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 469 | 8 | 2 | 5 | 3.9 | O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559202 | 120366 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 469 | 8 | 2 | 5 | 3.9 | O=C(N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 10143954 | 13508 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL1194286 | 13508 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL549986 | 13508 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 44236332 | 13903 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 470 | 7 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197183 | 13903 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 470 | 7 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL561870 | 13903 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 470 | 7 | 1 | 4 | 4.5 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 10143718 | 62804 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779131 | 62804 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789435 | 62804 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 44235871 | 194897 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.5 | O=C(O[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL563887 | 194897 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.5 | O=C(O[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 50925542 | 18983 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 0 | 5 | 3.6 | Cc1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289653 | 18983 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 0 | 5 | 3.6 | Cc1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 10165877 | 62800 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779133 | 62800 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789396 | 62800 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 463 | 8 | 0 | 4 | 5.6 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 11725334 | 117273 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 348 | 4 | 2 | 5 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401641 | 117273 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 348 | 4 | 2 | 5 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 155566290 | 176006 | 0 | None | 25 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | 25 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | 25 | 5 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9928017 | 62010 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779033 | 62010 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 11569908 | 13888 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 5 | 0 | 3 | 5.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197028 | 13888 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 5 | 0 | 3 | 5.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL559106 | 13888 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 5 | 0 | 3 | 5.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 1201549 | 590 | 22 | None | -5 | 20 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -5 | 20 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -5 | 20 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -5 | 20 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -5 | 20 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -5 | 20 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 52942402 | 19023 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 433 | 4 | 0 | 5 | 4.4 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289983 | 19023 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 433 | 4 | 0 | 5 | 4.4 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cccc(Cl)c4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 44303019 | 100479 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL294082 | 100479 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 10229167 | 62795 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 427 | 9 | 0 | 3 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779136 | 62795 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 427 | 9 | 0 | 3 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789385 | 62795 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 427 | 9 | 0 | 3 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 14590398 | 101396 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL300660 | 101396 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14590401 | 187395 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL49721 | 187395 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14054136 | 60040 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 2.7 | CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17460 | 60040 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 324 | 4 | 1 | 4 | 2.7 | CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 13810575 | 98130 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL276771 | 98130 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/jm00401a016 | ||
| 14590398 | 101396 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL300660 | 101396 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCCCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 14590401 | 187395 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL49721 | 187395 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Cl)cc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 44333541 | 4684 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 419 | 4 | 2 | 5 | 3.2 | O=C1Nc2cccnc2N(C(=O)CNCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL103785 | 4684 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 419 | 4 | 2 | 5 | 3.2 | O=C1Nc2cccnc2N(C(=O)CNCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 60691 | 101081 | 19 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm9506433 | ||
| CHEMBL29835 | 101081 | 19 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm9506433 | ||
| 24739387 | 187574 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 454 | 4 | 0 | 2 | 5.2 | CC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| CHEMBL498556 | 187574 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 454 | 4 | 0 | 2 | 5.2 | CC(=O)N1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| 44275628 | 11889 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 186 | 0 | 0 | 3 | 0.3 | Cn1oc2c(c1=O)C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183229 | 11889 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 186 | 0 | 0 | 3 | 0.3 | Cn1oc2c(c1=O)C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL285803 | 11889 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 186 | 0 | 0 | 3 | 0.3 | Cn1oc2c(c1=O)C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 10354348 | 98425 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 241 | 2 | 0 | 5 | 2.4 | CSc1nsnc1C1=C(C)CCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL279105 | 98425 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 241 | 2 | 0 | 5 | 2.4 | CSc1nsnc1C1=C(C)CCN(C)C1 | 10.1021/jm9705216 | ||
| 67549179 | 117277 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 334 | 2 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401645 | 117277 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 334 | 2 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| 10784004 | 13276 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192621 | 13276 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543890 | 13276 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 1224 | 1404 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1404 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1404 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1404 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1404 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1404 | 79 | None | -6 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 100 | 3745 | 52 | None | -19 | 55 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3745 | 52 | None | -19 | 55 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3745 | 52 | None | -19 | 55 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3745 | 52 | None | -19 | 55 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3745 | 52 | None | -19 | 55 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 124087 | 1362 | 106 | None | -6 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1362 | 106 | None | -6 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1362 | 106 | None | -6 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1362 | 106 | None | -6 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1362 | 106 | None | -6 | 15 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 135 | 2496 | 38 | None | -25 | 57 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2496 | 38 | None | -25 | 57 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2496 | 38 | None | -25 | 57 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2496 | 38 | None | -25 | 57 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2496 | 38 | None | -25 | 57 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 10782321 | 12018 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL1184098 | 12018 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| CHEMBL332405 | 12018 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.3 | CCCCCc1noc(C2CN(CC)CC=C2c2ccccc2)n1 | 10.1021/jm980067l | ||
| 10080742 | 204643 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 166 | 3 | 0 | 3 | 0.9 | C=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL87485 | 204643 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 166 | 3 | 0 | 3 | 0.9 | C=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 2284 | 3133 | 27 | None | -21 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3133 | 27 | None | -21 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3133 | 27 | None | -21 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3133 | 27 | None | -21 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3133 | 27 | None | -21 | 28 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 10594386 | 11313 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180249 | 11313 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL118553 | 11313 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 4.9 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 2230 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| 296 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| CHEMBL7303 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| DB04365 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| 9946632 | 62020 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779043 | 62020 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 354 | 4 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 44302901 | 100587 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL294726 | 100587 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 320 | 1 | 1 | 3 | 3.9 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)cc34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| 6726 | 1254 | 46 | None | -9 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1254 | 46 | None | -9 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1254 | 46 | None | -9 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1254 | 46 | None | -9 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1254 | 46 | None | -9 | 13 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 2683 | 102415 | 24 | None | -5 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102415 | 24 | None | -5 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102415 | 24 | None | -5 | 16 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 10547222 | 114288 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333940 | 114288 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.7 | CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44236338 | 13797 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1196358 | 13797 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL556634 | 13797 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 52948443 | 18999 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 3.9 | CCc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289758 | 18999 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 419 | 4 | 0 | 5 | 3.9 | CCc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 14590397 | 187114 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.1 | CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL49525 | 187114 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.1 | CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14054141 | 161934 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| CHEMBL416723 | 161934 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| 9815331 | 201417 | 1 | None | 1 | 8 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | 1 | 8 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 14590397 | 187114 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.1 | CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL49525 | 187114 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.1 | CCN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 9815331 | 201417 | 1 | None | -1 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -1 | 8 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 11793999 | 12009 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184074 | 12009 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL331516 | 12009 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 18456768 | 62805 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 8 | 0 | 2 | 5.3 | CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779134 | 62805 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 8 | 0 | 2 | 5.3 | CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789445 | 62805 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 8 | 0 | 2 | 5.3 | CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00401a016 | ||
| 13271739 | 98074 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 1 | 2 | 4 | 2.6 | CN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL276282 | 98074 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 351 | 1 | 2 | 4 | 2.6 | CN1CCC(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 14054138 | 98370 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 365 | 3 | 1 | 5 | 2.0 | CN1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL278701 | 98370 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 365 | 3 | 1 | 5 | 2.0 | CN1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 53853235 | 78271 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 401 | 2 | 0 | 5 | 3.6 | O=C1c2ccccc2-n2c(nc3cccnc32)CN1C[C@@H]1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL2112432 | 78271 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 401 | 2 | 0 | 5 | 3.6 | O=C1c2ccccc2-n2c(nc3cccnc32)CN1C[C@@H]1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| 10829928 | 12296 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| CHEMBL1185758 | 12296 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| CHEMBL431688 | 12296 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 325 | 7 | 0 | 4 | 4.4 | CCCCCc1noc(C2=C(c3ccccc3)CCN(CC)C2)n1 | 10.1021/jm980067l | ||
| 15730 | 70774 | 73 | None | -2 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 10827157 | 11332 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL1180317 | 11332 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL121552 | 11332 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 52947552 | 18915 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 2.9 | O=C(c1ccc(CO)o1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289201 | 18915 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 2.9 | O=C(c1ccc(CO)o1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52943921 | 18932 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 386 | 3 | 0 | 5 | 2.6 | O=C(c1ncccn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289315 | 18932 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 386 | 3 | 0 | 5 | 2.6 | O=C(c1ncccn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52942610 | 19131 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 384 | 3 | 0 | 3 | 3.8 | O=C(c1ccccc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290635 | 19131 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 384 | 3 | 0 | 3 | 3.8 | O=C(c1ccccc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 46891076 | 6630 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083618 | 6630 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 344 | 4 | 2 | 2 | 3.8 | O=C(NCC1=CCNCC1)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 441383 | 20133 | 54 | None | -7 | 17 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20133 | 54 | None | -7 | 17 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 9944783 | 62014 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 316 | 6 | 0 | 3 | 3.9 | CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779037 | 62014 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 316 | 6 | 0 | 3 | 3.9 | CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44302788 | 198938 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59939 | 198938 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 378 | 2 | 1 | 5 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10760249 | 11318 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180285 | 11318 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL120119 | 11318 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm301774u | ||
| 10760249 | 11318 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180285 | 11318 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL120119 | 11318 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 67547950 | 120364 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 6 | 0 | 3 | 4.9 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401655 | 120364 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 6 | 0 | 3 | 4.9 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559199 | 120364 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 456 | 6 | 0 | 3 | 4.9 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCn3cccc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| 54586723 | 62015 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 3.1 | CC(C)N(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779038 | 62015 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 288 | 3 | 0 | 3 | 3.1 | CC(C)N(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10686494 | 100072 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | ||
| CHEMBL291351 | 100072 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 311 | 3 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2OCC#Cc2ccccc2)C1 | 10.1021/jm9910019 | ||
| 10393952 | 62799 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779140 | 62799 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789389 | 62799 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 529 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9798900 | 62806 | 0 | None | - | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779047 | 62806 | 0 | None | - | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789446 | 62806 | 0 | None | - | 3 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| 13578548 | 100892 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 4 | 1 | 5 | 2.7 | CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL296988 | 100892 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 4 | 1 | 5 | 2.7 | CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| 13578548 | 100892 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 4 | 1 | 5 | 2.7 | CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL296988 | 100892 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 393 | 4 | 1 | 5 | 2.7 | CN(C)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 67548544 | 120369 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 8 | 0 | 3 | 7.1 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401656 | 120369 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 8 | 0 | 3 | 7.1 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559205 | 120369 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 559 | 8 | 0 | 3 | 7.1 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1C[N+]2(CCCOc3ccc(-c4ccccc4)cc3)CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| 3088389 | 22912 | 2 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 11 | 0 | 6 | 4.2 | CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL13308 | 22912 | 2 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 11 | 0 | 6 | 4.2 | CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9702903 | ||
| 2247 | 502 | 77 | None | -32 | 41 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -32 | 41 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -32 | 41 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -32 | 41 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -32 | 41 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 44303294 | 199471 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60331 | 199471 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 377 | 3 | 0 | 5 | 3.3 | Fc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 4735 | 193445 | 92 | None | -9 | 10 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 193445 | 92 | None | -9 | 10 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 193445 | 92 | None | -9 | 10 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 11057 | 175575 | 19 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175575 | 19 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175575 | 19 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175575 | 19 | None | -1 | 20 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 2812 | 4711 | 96 | None | -33 | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -33 | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 10518821 | 12021 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184108 | 12021 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL332645 | 12021 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.6 | CCN1CC=C(c2ccccc2)C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44302793 | 198047 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59347 | 198047 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.9 | COc1cc2c(cc1OC)C1Oc3ccc4[nH]c(C)cc4c3CN1CC2 | 10.1016/s0960-894x(98)00351-5 | ||
| 10664532 | 12006 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184064 | 12006 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL330892 | 12006 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 52945272 | 19013 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289866 | 19013 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 399 | 4 | 0 | 5 | 3.8 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52943721 | 19093 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 354 | 3 | 0 | 3 | 4.3 | O=C(c1ccsc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290410 | 19093 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 354 | 3 | 0 | 3 | 4.3 | O=C(c1ccsc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 379653 | 101213 | 2 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 499 | 6 | 1 | 5 | 4.3 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL299344 | 101213 | 2 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 499 | 6 | 1 | 5 | 4.3 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 13578572 | 186316 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 6 | 1 | 5 | 3.1 | CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL48980 | 186316 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 6 | 1 | 5 | 3.1 | CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14054140 | 98483 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 2 | 1 | 4 | 3.4 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL279528 | 98483 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 2 | 1 | 4 | 3.4 | CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 5487543 | 203933 | 4 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | ||
| CHEMBL81878 | 203933 | 4 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm9910019 | ||
| 24750278 | 88994 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/acs.jmedchem.6b00475 | ||
| CHEMBL237067 | 88994 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 6 | 1 | 9 | 1.7 | CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CC(=O)c1ccccc1)c(=O)n2C | 10.1021/acs.jmedchem.6b00475 | ||
| 379653 | 101213 | 2 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 499 | 6 | 1 | 5 | 4.3 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL299344 | 101213 | 2 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 499 | 6 | 1 | 5 | 4.3 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(Br)cc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 13578572 | 186316 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 6 | 1 | 5 | 3.1 | CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL48980 | 186316 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 6 | 1 | 5 | 3.1 | CCN(CC)CC1CCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 14590400 | 176888 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL46390 | 176888 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 3071772 | 97968 | 2 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 382 | 12 | 0 | 6 | 4.6 | CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL275537 | 97968 | 2 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 382 | 12 | 0 | 6 | 4.6 | CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 14590400 | 176888 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL46390 | 176888 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCCN(CCC)CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 10638050 | 11310 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL116601 | 11310 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180202 | 11310 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.8 | CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10848032 | 204373 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1ccsc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85645 | 204373 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1ccsc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 44342270 | 9837 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.5 | Cc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Cl)c1 | 10.1021/jm010878g | ||
| CHEMBL114484 | 9837 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 355 | 3 | 1 | 4 | 4.5 | Cc1ccc(CN2CCC(n3c(O)nc4ccccc43)CC2)c(Cl)c1 | 10.1021/jm010878g | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm9910019 | ||
| 44303286 | 199633 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| CHEMBL60419 | 199633 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 309 | 3 | 0 | 5 | 1.8 | C(#Cc1ccccc1)COc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| 3071780 | 18603 | 2 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 520 | 13 | 0 | 6 | 7.5 | CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12781 | 18603 | 2 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 520 | 13 | 0 | 6 | 7.5 | CN(C)Cc1ccc(CSCc2ccc(-c3ccc(CSCc4ccc(CN(C)C)o4)cc3)cc2)o1 | 10.1021/jm00084a015 | ||
| 44275648 | 11879 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183077 | 11879 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL278618 | 11879 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 13621567 | 97708 | 7 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL27384 | 97708 | 7 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL440085 | 97708 | 7 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| 10757736 | 14339 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120135 | 14339 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44302834 | 201022 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61700 | 201022 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.9 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Oc4ccccc4)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 4098 | 32289 | 24 | None | -15 | 11 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32289 | 24 | None | -15 | 11 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32289 | 24 | None | -15 | 11 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 10516408 | 11336 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180330 | 11336 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL122353 | 11336 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.0 | CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10240891 | 204378 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85678 | 204378 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 140 | 1 | 0 | 3 | 0.3 | CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 44303424 | 198803 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 376 | 3 | 0 | 4 | 4.6 | Clc1cc(Cl)cc(C#CCOc2nsnc2C23CC4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL59862 | 198803 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 376 | 3 | 0 | 4 | 4.6 | Clc1cc(Cl)cc(C#CCOc2nsnc2C23CC4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 9815331 | 201417 | 1 | None | 1 | 8 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | 1 | 8 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -1 | 8 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -1 | 8 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(98)00351-5 | ||
| 10300661 | 62807 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 421 | 9 | 0 | 2 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779135 | 62807 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 421 | 9 | 0 | 2 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789451 | 62807 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 421 | 9 | 0 | 2 | 5.7 | CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 13578571 | 100655 | 1 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00128a008 | ||
| CHEMBL295214 | 100655 | 1 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00128a008 | ||
| 13578571 | 100655 | 1 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00048a014 | ||
| CHEMBL295214 | 100655 | 1 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00048a014 | ||
| 10610375 | 11317 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180284 | 11317 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL120109 | 11317 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 10610375 | 11317 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL1180284 | 11317 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| CHEMBL120109 | 11317 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.3 | CCN1CCC(c2ccccc2)=C(C(=O)OC)C1 | 10.1021/jm301774u | ||
| 11820032 | 97772 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL274329 | 97772 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 197 | 2 | 0 | 2 | -0.1 | C[N+](C)(C)CC#CCN1OCCC1=O | 10.1016/S0960-894X(97)00150-9 | ||
| 3013846 | 187656 | 2 | None | -4 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL499519 | 187656 | 2 | None | -4 | 5 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| 2745 | 3800 | 39 | None | -46 | 9 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 5572 | 3800 | 39 | None | -46 | 9 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 66007 | 3800 | 39 | None | -46 | 9 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 7315 | 3800 | 39 | None | -46 | 9 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL1490 | 3800 | 39 | None | -46 | 9 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00376 | 3800 | 39 | None | -46 | 9 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | 10.1016/s0960-894x(98)00351-5 | ||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1021/jm9702903 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9702903 | ||
| 44275626 | 11061 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178434 | 11061 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL28033 | 11061 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 163388532 | 189764 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 681 | 8 | 2 | 9 | 6.2 | Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12 | 10.1021/acs.jmedchem.2c00893 | ||
| CHEMBL5177023 | 189764 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 681 | 8 | 2 | 9 | 6.2 | Cc1c(C#Cc2ccc(CN3CCC(CO)CC3)cc2)cc(C(F)F)c2cn(C(C(=O)Nc3nccs3)c3ncn4c3CCC43CC3)nc12 | 10.1021/acs.jmedchem.2c00893 | ||
| 44356367 | 117988 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 2.2 | C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1 | 10.1021/jm9702903 | ||
| CHEMBL341447 | 117988 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 2.2 | C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1 | 10.1021/jm9702903 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10684720 | 11988 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1183926 | 11988 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL324712 | 11988 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.5 | CCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/S0960-894X(01)80787-3 | ||
| 19816 | 57281 | 1 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 153 | 3 | 0 | 2 | 0.9 | CC(=O)CCC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL166736 | 57281 | 1 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 153 | 3 | 0 | 2 | 0.9 | CC(=O)CCC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| 52946249 | 18897 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.9 | O=C(c1cccs1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289082 | 18897 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 3 | 0 | 4 | 3.9 | O=C(c1cccs1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 10420458 | 204545 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL86903 | 204545 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 71454411 | 78040 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL2111621 | 78040 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 44302741 | 200968 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61412 | 200968 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 4011 | 81996 | 43 | None | -35 | 23 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81996 | 43 | None | -35 | 23 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 10521205 | 11324 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180298 | 11324 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120599 | 11324 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.5 | CCN1CC=C(c2ccccc2)C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 9903030 | 62019 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 350 | 4 | 0 | 3 | 4.2 | Cc1ccc(N(Cc2ccccc2)C(=O)O[C@H]2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779042 | 62019 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 350 | 4 | 0 | 3 | 4.2 | Cc1ccc(N(Cc2ccccc2)C(=O)O[C@H]2CN3CCC2CC3)cc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 46871844 | 6734 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1083925 | 6734 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 360 | 4 | 2 | 2 | 4.1 | C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 46871665 | 6517 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083108 | 6517 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 2 | 2 | 3.9 | O=C(NCC1CCNCC1)c1ccccc1-c1cc(Cl)ccc1F | 10.1016/j.bmcl.2010.04.128 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2015.02.065 | ||
| 44236334 | 13898 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 7 | 0 | 3 | 5.6 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197117 | 13898 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 7 | 0 | 3 | 5.6 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL559931 | 13898 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 7 | 0 | 3 | 5.6 | CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 44233175 | 13905 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL1197209 | 13905 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL562655 | 13905 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.3 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1(O)c2ccccc2-c2ccccc21 | 10.1021/jm900132z | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 52947320 | 19052 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 4.5 | Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)CC3)c1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290184 | 19052 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 4.5 | Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)CC3)c1 | 10.1016/j.bmcl.2010.10.016 | ||
| 939077 | 193398 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL549577 | 193398 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm900132z | ||
| 44303323 | 162691 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL418491 | 162691 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 10785471 | 113217 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL332320 | 113217 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 371 | 12 | 0 | 3 | 5.9 | CCCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 14590403 | 187811 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 7 | 1 | 5 | 4.1 | CCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC | 10.1021/jm00128a008 | ||
| CHEMBL50176 | 187811 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 7 | 1 | 5 | 4.1 | CCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC | 10.1021/jm00128a008 | ||
| 13810574 | 59382 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 310 | 3 | 1 | 4 | 2.3 | CN(C)CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17228 | 59382 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 310 | 3 | 1 | 4 | 2.3 | CN(C)CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 14590403 | 187811 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 7 | 1 | 5 | 4.1 | CCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC | 10.1021/jm00048a014 | ||
| CHEMBL50176 | 187811 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 449 | 7 | 1 | 5 | 4.1 | CCc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCCCC1CN(CC)CC | 10.1021/jm00048a014 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 24739886 | 187286 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 6 | 1 | 3 | 4.2 | NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| CHEMBL496376 | 187286 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 469 | 6 | 1 | 3 | 4.2 | NC(=O)CN1CCCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1 | 10.1016/j.bmcl.2008.07.115 | ||
| 14590396 | 171975 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL44838 | 171975 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14590396 | 171975 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL44838 | 171975 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 19716 | 9177 | 5 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.6 | CC(=O)N(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL11081 | 9177 | 5 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.6 | CC(=O)N(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 10356006 | 203936 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81895 | 203936 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 10515352 | 105694 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL313749 | 105694 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10019339 | 102153 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL304247 | 102153 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 327 | 3 | 0 | 5 | 1.9 | Fc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 1935 | 3677 | 92 | None | - | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 2551 | 3677 | 92 | None | - | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 6687 | 3677 | 92 | None | - | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| DB00382 | 3677 | 92 | None | - | 6 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 1935 | 3677 | 92 | None | -6 | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| 2551 | 3677 | 92 | None | -6 | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| 6687 | 3677 | 92 | None | -6 | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| CHEMBL95 | 3677 | 92 | None | -6 | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| DB00382 | 3677 | 92 | None | -6 | 6 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00084a015 | ||
| 2750 | 202363 | 69 | None | -4 | 12 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| CHEMBL7002 | 202363 | 69 | None | -4 | 12 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| 5282593 | 54972 | 25 | None | -5 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1319362 | 54972 | 25 | None | -5 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1618018 | 54972 | 25 | None | -5 | 5 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 10808719 | 12026 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184120 | 12026 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL333125 | 12026 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10399393 | 204072 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL83074 | 204072 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.1 | C#CCC#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 4212 | 197002 | 75 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 197002 | 75 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 197002 | 75 | None | 1 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.11.014 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.11.014 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.11.014 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.11.014 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.03.006 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.03.006 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.03.006 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2016.03.006 | ||
| 10546275 | 15033 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL121059 | 15033 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.5 | CCCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 10133281 | 62017 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 362 | 5 | 0 | 5 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779040 | 62017 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 362 | 5 | 0 | 5 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| 9857572 | 62013 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 302 | 5 | 0 | 3 | 3.5 | CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779036 | 62013 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 302 | 5 | 0 | 3 | 3.5 | CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 13578549 | 100804 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL296317 | 100804 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 10678449 | 22452 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.6 | CO/N=C/[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL132698 | 22452 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.6 | CO/N=C/[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 13578549 | 100804 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL296317 | 100804 | 1 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CC1CCCCN1CCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 10846833 | 49536 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| CHEMBL15675 | 49536 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 225 | 0 | 0 | 5 | 1.7 | CN1CCC2=C(C1)c1nsnc1SC2 | 10.1021/jm9705216 | ||
| 3071773 | 19210 | 2 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 13 | 0 | 6 | 4.9 | CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12937 | 19210 | 2 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 396 | 13 | 0 | 6 | 4.9 | CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 44275683 | 98825 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL281944 | 98825 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL541666 | 98825 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| 10593954 | 12965 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1190178 | 12965 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL540316 | 12965 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 7 | 0 | 3 | 4.2 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10358345 | 11337 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180331 | 11337 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL122354 | 11337 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.3 | CCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 9996901 | 117274 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 3.2 | O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401642 | 117274 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 3.2 | O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 3236 | 67267 | 40 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | nan | ||
| CHEMBL1902981 | 67267 | 40 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | nan | ||
| 10641009 | 11321 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180292 | 11321 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL120472 | 11321 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 341 | 6 | 0 | 3 | 4.7 | CCN1CCC(c2ccccc2)=C(C(=O)OCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10726038 | 118927 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.6 | CO/N=C(\C#N)C12CCN(CC1)C2 | 10.1021/jm9702903 | ||
| CHEMBL344892 | 118927 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.6 | CO/N=C(\C#N)C12CCN(CC1)C2 | 10.1021/jm9702903 | ||
| 44333603 | 109159 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 390 | 5 | 1 | 3 | 4.8 | Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL322378 | 109159 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 390 | 5 | 1 | 3 | 4.8 | Cc1cc(C(=O)c2ccccc2)ccc1NC(=O)CC1CCCN2CCCC[C@H]12 | 10.1016/s0960-894x(99)00528-4 | ||
| 3072503 | 4797 | 6 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 353 | 9 | 1 | 6 | 3.7 | CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL104355 | 4797 | 6 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 353 | 9 | 1 | 6 | 3.7 | CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 3072518 | 5175 | 4 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL106344 | 5175 | 4 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 2801 | 161325 | 56 | None | -2 | 28 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161325 | 56 | None | -2 | 28 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161325 | 56 | None | -2 | 28 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 10663572 | 13048 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1190784 | 13048 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL541584 | 13048 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 44303396 | 199551 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL60374 | 199551 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1ccc(C#CCSc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 9974222 | 11816 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182709 | 11816 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL262198 | 11816 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 335 | 6 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10778750 | 163406 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL420781 | 163406 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 52942628 | 18896 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 3.4 | O=C(c1ccco1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289081 | 18896 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 3.4 | O=C(c1ccco1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52942401 | 19022 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 4 | 0 | 5 | 4.4 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4Cl)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289982 | 19022 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 433 | 4 | 0 | 5 | 4.4 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4Cl)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 44275767 | 97168 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL27096 | 97168 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL540136 | 97168 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| 52945255 | 19111 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | O=C(c1ncccn1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290520 | 19111 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 350 | 3 | 0 | 4 | 3.0 | O=C(c1ncccn1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 46891179 | 6340 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| CHEMBL1082365 | 6340 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 378 | 4 | 2 | 2 | 4.2 | C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.127 | ||
| 118728611 | 117276 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401644 | 117276 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 10267601 | 12023 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184116 | 12023 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL332980 | 12023 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44302775 | 201108 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL62247 | 201108 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OCC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10573693 | 11325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180305 | 11325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL120963 | 11325 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.5 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 3158 | 55974 | 21 | None | -630 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55974 | 21 | None | -630 | 20 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 10220392 | 204287 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL84893 | 204287 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 240 | 2 | 0 | 3 | 1.7 | C(#Cc1ccccc1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 4841 | 67089 | 3 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67089 | 3 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67089 | 3 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 44303314 | 100466 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL293982 | 100466 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.6 | Fc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 54585743 | 62021 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 372 | 4 | 0 | 3 | 4.2 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779044 | 62021 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 372 | 4 | 0 | 3 | 4.2 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccc(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 44275682 | 11886 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183197 | 11886 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL284208 | 11886 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 191 | 399 | 92 | None | -56 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -56 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -56 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -56 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -56 | 28 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 3823 | 49951 | 38 | None | -44 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 49951 | 38 | None | -44 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 49951 | 38 | None | -44 | 11 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 44302900 | 201110 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL62251 | 201110 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 406 | 3 | 1 | 5 | 4.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OC(C)C)c34)OC21 | 10.1016/s0960-894x(98)00351-5 | ||
| 44302813 | 101460 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL301041 | 101460 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 362 | 2 | 1 | 4 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 44303327 | 162461 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| CHEMBL417560 | 162461 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 325 | 3 | 0 | 5 | 2.5 | C(#Cc1ccccc1)CSc1nsnc1C12CN3CC1C2C3 | 10.1021/jm9910019 | ||
| 10539130 | 106248 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL314420 | 106248 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 10567192 | 11990 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1183934 | 11990 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL324936 | 11990 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 313 | 4 | 0 | 3 | 3.9 | CCN1CC=C(c2ccccc2)C(C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 10567372 | 12025 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1160977 | 12025 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184119 | 12025 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL333065 | 12025 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 315 | 8 | 0 | 3 | 4.1 | CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 10777692 | 11322 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180296 | 11322 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120539 | 11322 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.6 | CCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 68617 | 203816 | 60 | None | -32 | 25 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203816 | 60 | None | -32 | 25 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203816 | 60 | None | -32 | 25 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 54585742 | 62008 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 322 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779031 | 62008 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 322 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 54582845 | 62801 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 8 | 0 | 3 | 6.2 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCOc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779139 | 62801 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 8 | 0 | 3 | 6.2 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCOc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789405 | 62801 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 8 | 0 | 3 | 6.2 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCOc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10451242 | 201424 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL64029 | 201424 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 3 | 0 | 5 | 2.8 | Fc1cc(F)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 10262466 | 97892 | 0 | None | - | 5 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL275104 | 97892 | 0 | None | - | 5 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10538337 | 12005 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184062 | 12005 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| CHEMBL330885 | 12005 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 245 | 3 | 0 | 3 | 2.2 | CCN1CC=C(c2ccccc2)C(C(=O)OC)C1 | 10.1021/jm980067l | ||
| 67547652 | 117279 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.5 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401647 | 117279 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.5 | CN(C(=O)C1c2ccccc2Oc2ccccc21)[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2015.02.065 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm701575k | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm701575k | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm701575k | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm701575k | ||
| 11678378 | 120373 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 3 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401654 | 120373 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 3 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559211 | 120373 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 469 | 7 | 1 | 3 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| 54586745 | 62810 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 523 | 8 | 0 | 2 | 6.8 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779138 | 62810 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 523 | 8 | 0 | 2 | 6.8 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789461 | 62810 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 523 | 8 | 0 | 2 | 6.8 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 134688371 | 14306 | 10 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | nan | ||
| 13765 | 14306 | 10 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | nan | ||
| CHEMBL1200623 | 14306 | 10 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | nan | ||
| 3652 | 45983 | 62 | None | -2 | 9 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| CHEMBL1535 | 45983 | 62 | None | -2 | 9 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| 50925541 | 18966 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 405 | 3 | 0 | 5 | 3.6 | Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289545 | 18966 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 405 | 3 | 0 | 5 | 3.6 | Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 50925543 | 18984 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 405 | 3 | 0 | 5 | 3.6 | Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4Cl)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289654 | 18984 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 405 | 3 | 0 | 5 | 3.6 | Cc1nc(C(=O)N2CCOC3(CCN(Cc4ccccc4Cl)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 10119939 | 62798 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1777827 | 62798 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789388 | 62798 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 155522355 | 175835 | 0 | None | 31 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | 31 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | 31 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9967590 | 61812 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1777826 | 61812 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/s0960-894x(98)00351-5 | ||
| 10208972 | 62802 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 457 | 8 | 0 | 3 | 5.5 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779129 | 62802 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 457 | 8 | 0 | 3 | 5.5 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789429 | 62802 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 457 | 8 | 0 | 3 | 5.5 | O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 52942458 | 19051 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 382 | 3 | 0 | 2 | 4.9 | O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290183 | 19051 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 382 | 3 | 0 | 2 | 4.9 | O=C(c1ccccc1)N1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 10094518 | 100923 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL297224 | 100923 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 10096508 | 176449 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCCC1 | 10.1021/jm00128a008 | ||
| CHEMBL46315 | 176449 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCCC1 | 10.1021/jm00128a008 | ||
| 11725107 | 100147 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL291872 | 100147 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 345 | 3 | 0 | 5 | 2.1 | Fc1cc(F)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 10094518 | 100923 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL297224 | 100923 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2ccc(C)cc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 10096508 | 176449 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCCC1 | 10.1021/jm00048a014 | ||
| CHEMBL46315 | 176449 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 4.8 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCCC1 | 10.1021/jm00048a014 | ||
| 3072508 | 107002 | 3 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 15 | 2 | 11 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL318517 | 107002 | 3 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 522 | 15 | 2 | 11 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 14054145 | 98175 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL277078 | 98175 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL5076569 | 212678 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2cccnc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
| 44302727 | 101448 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL300987 | 101448 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10176679 | 133086 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 209 | 3 | 0 | 4 | 0.8 | CCN1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL37132 | 133086 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 209 | 3 | 0 | 4 | 0.8 | CCN1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 10797864 | 25940 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 1.0 | CO/N=C(\C#N)C12CCCN(CC1)C2 | 10.1021/jm9702903 | ||
| CHEMBL135645 | 25940 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 1.0 | CO/N=C(\C#N)C12CCCN(CC1)C2 | 10.1021/jm9702903 | ||
| 52947254 | 19012 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 433 | 4 | 0 | 5 | 4.4 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289865 | 19012 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 433 | 4 | 0 | 5 | 4.4 | CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)cs1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52949961 | 19152 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 424 | 3 | 0 | 4 | 4.6 | O=C(c1ccc2occc2c1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290752 | 19152 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 424 | 3 | 0 | 4 | 4.6 | O=C(c1ccc2occc2c1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 3072505 | 108085 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 409 | 11 | 2 | 9 | 3.5 | CNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL320291 | 108085 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 409 | 11 | 2 | 9 | 3.5 | CNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 2274 | 3124 | 53 | None | -100 | 32 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3124 | 53 | None | -100 | 32 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3124 | 53 | None | -100 | 32 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3124 | 53 | None | -100 | 32 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3124 | 53 | None | -100 | 32 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 24882193 | 188064 | 0 | None | - | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 770 | 14 | 4 | 4 | 10.4 | O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1 | 10.1021/jm7011722 | ||
| CHEMBL503468 | 188064 | 0 | None | - | 2 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 770 | 14 | 4 | 4 | 10.4 | O=C(Nc1ccc2[nH]cc(C3CCN(CCCCCCCN4CCC(c5c[nH]c6ccc(NC(=O)c7ccc(F)cc7)cc56)CC4)CC3)c2c1)c1ccc(F)cc1 | 10.1021/jm7011722 | ||
| 3198 | 203802 | 73 | None | -16 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203802 | 73 | None | -16 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203802 | 73 | None | -16 | 34 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 54586743 | 62811 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779130 | 62811 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789462 | 62811 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 357 | 4 | 0 | 3 | 4.1 | C[N+]12CCC(CC1)[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 | 10.1016/j.bmcl.2011.03.096 | ||
| 13578551 | 100814 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL296405 | 100814 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 13578551 | 100814 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL296405 | 100814 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 7 | 1 | 5 | 3.9 | CCN(CC)CCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 9882189 | 166879 | 26 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01192 | ||
| CHEMBL4297224 | 166879 | 26 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 281 | 4 | 0 | 2 | 3.5 | CN(C)CC1CCOC1(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.0c01192 | ||
| 3072510 | 5293 | 3 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 13 | 2 | 9 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL106936 | 5293 | 3 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 13 | 2 | 9 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 10761219 | 11326 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180309 | 11326 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL121298 | 11326 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 363 | 8 | 0 | 3 | 4.6 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 2337 | 3205 | 72 | None | -31 | 62 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3205 | 72 | None | -31 | 62 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3205 | 72 | None | -31 | 62 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3205 | 72 | None | -31 | 62 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3205 | 72 | None | -31 | 62 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 2745 | 3800 | 39 | None | -46 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3800 | 39 | None | -46 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3800 | 39 | None | -46 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3800 | 39 | None | -46 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3800 | 39 | None | -46 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3800 | 39 | None | -46 | 9 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9910019 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2010.07.034 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2010.07.034 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2010.07.034 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2010.07.034 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm058018d | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm058018d | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm058018d | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm058018d | ||
| 24996645 | 70083 | 0 | None | - | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 5 | 0 | 6 | 4.0 | Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 | 10.1016/j.bmcl.2011.11.118 | ||
| CHEMBL1945848 | 70083 | 0 | None | - | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 416 | 5 | 0 | 6 | 4.0 | Cc1nn(-c2ccccn2)c(=O)cc1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 | 10.1016/j.bmcl.2011.11.118 | ||
| 44275767 | 97168 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL27096 | 97168 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL540136 | 97168 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 173 | 1 | 0 | 2 | 0.7 | COC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| 290 | 2438 | 4 | None | -12 | 7 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| 4022 | 2438 | 4 | None | -12 | 7 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| 5926 | 2438 | 4 | None | -12 | 7 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL40554 | 2438 | 4 | None | -12 | 7 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL74300 | 2438 | 4 | None | -12 | 7 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/S0960-894X(00)80535-1 | ||
| 15685990 | 57777 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 168 | 3 | 1 | 3 | 1.0 | CC(/C=N/O)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL167335 | 57777 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 168 | 3 | 1 | 3 | 1.0 | CC(/C=N/O)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| 11498 | 2970 | 33 | None | -67 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| 4995951 | 2970 | 33 | None | -67 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL59898 | 2970 | 33 | None | -67 | 5 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/s0960-894x(98)00351-5 | ||
| 4543 | 169982 | 36 | None | -6 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169982 | 36 | None | -6 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169982 | 36 | None | -6 | 29 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 11695697 | 117278 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.1 | O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401646 | 117278 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.1 | O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1016/j.bmcl.2015.02.065 | ||
| 54583839 | 62012 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 288 | 4 | 0 | 3 | 3.1 | CCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779035 | 62012 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 288 | 4 | 0 | 3 | 3.1 | CCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 277 | 1274 | 55 | None | -10 | 45 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1274 | 55 | None | -10 | 45 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1274 | 55 | None | -10 | 45 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1274 | 55 | None | -10 | 45 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1274 | 55 | None | -10 | 45 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2286 | 3134 | 48 | None | -3 | 29 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3134 | 48 | None | -3 | 29 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3134 | 48 | None | -3 | 29 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3134 | 48 | None | -3 | 29 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3134 | 48 | None | -3 | 29 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 118728610 | 117272 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 4 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401640 | 117272 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 336 | 4 | 2 | 3 | 2.1 | O=C(N[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| 3067217 | 60969 | 2 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 356 | 2 | 1 | 5 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cscc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17671 | 60969 | 2 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 356 | 2 | 1 | 5 | 2.2 | CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cscc32)CC1 | 10.1021/jm00401a016 | ||
| 3072506 | 5252 | 3 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 13 | 2 | 9 | 4.3 | CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL106782 | 5252 | 3 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 437 | 13 | 2 | 9 | 4.3 | CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 3072512 | 5291 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 12 | 2 | 10 | 4.3 | CC(C)=NNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL106932 | 5291 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 450 | 12 | 2 | 10 | 4.3 | CC(C)=NNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 10639739 | 11544 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 208 | 1 | 0 | 2 | 2.5 | CN1CCC=C(c2ccc(Cl)nc2)C1 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL1181055 | 11544 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 208 | 1 | 0 | 2 | 2.5 | CN1CCC=C(c2ccc(Cl)nc2)C1 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL154087 | 11544 | 2 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 208 | 1 | 0 | 2 | 2.5 | CN1CCC=C(c2ccc(Cl)nc2)C1 | 10.1016/s0960-894x(99)00575-2 | ||
| 6918276 | 15435 | 4 | None | -131 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL1221512 | 15435 | 4 | None | -131 | 8 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| 10759393 | 83965 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL2112589 | 83965 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL2219563 | 83965 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 25014630 | 83126 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| CHEMBL2203713 | 83126 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 326 | 3 | 3 | 4 | 3.3 | N=C(Nc1ccc2c(c1)CCN2C1CCNCC1)c1cccs1 | 10.1016/j.ejmech.2012.07.006 | ||
| 44275648 | 11879 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183077 | 11879 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL278618 | 11879 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 186 | 1 | 0 | 3 | 1.0 | COc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 1548953 | 205945 | 24 | None | -6 | 17 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205945 | 24 | None | -6 | 17 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| 3072515 | 5123 | 5 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 496 | 12 | 2 | 10 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL106082 | 5123 | 5 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 496 | 12 | 2 | 10 | 5.1 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 202718 | 86896 | 18 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 0 | 1 | 4.6 | C(CN1CCCCC1)=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.12.054 | ||
| CHEMBL2332280 | 86896 | 18 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 277 | 4 | 0 | 1 | 4.6 | C(CN1CCCCC1)=C(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2012.12.054 | ||
| 4601 | 205020 | 29 | None | -2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205020 | 29 | None | -2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205020 | 29 | None | -2 | 17 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 3072507 | 5178 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 14 | 2 | 10 | 3.5 | CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| CHEMBL106348 | 5178 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 14 | 2 | 10 | 3.5 | CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] | 10.1021/jm00095a008 | ||
| 1726 | 2461 | 12 | None | -3 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -3 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -3 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -3 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -3 | 5 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1726 | 2461 | 12 | None | -2 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -2 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -2 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -2 | 5 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 13621567 | 97708 | 7 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL27384 | 97708 | 7 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL440085 | 97708 | 7 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 168 | 1 | 0 | 4 | 0.7 | COc1noc2c1CN(C)CC2 | 10.1021/jm00402a010 | ||
| 10595006 | 11340 | 0 | None | -6 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11340 | 0 | None | -6 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11340 | 0 | None | -6 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 10595006 | 11340 | 0 | None | -6 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180343 | 11340 | 0 | None | -6 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123099 | 11340 | 0 | None | -6 | 5 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 10777343 | 204449 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 254 | 2 | 0 | 3 | 2.1 | Cc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL86288 | 204449 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 254 | 2 | 0 | 3 | 2.1 | Cc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 52946359 | 18931 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 392 | 3 | 0 | 6 | 2.7 | O=C(c1cnsn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289314 | 18931 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 392 | 3 | 0 | 6 | 2.7 | O=C(c1cnsn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 44275683 | 98825 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL281944 | 98825 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| CHEMBL541666 | 98825 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 187 | 2 | 0 | 2 | 1.1 | CCOC(=O)C1=CCC[S+](C)C1 | 10.1021/jm00402a010 | ||
| 9308 | 17572 | 16 | None | -2 | 7 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | -2 | 7 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | -2 | 7 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | -2 | 7 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 9308 | 17572 | 16 | None | 2 | 7 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | 2 | 7 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | 2 | 7 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | 2 | 7 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 10611310 | 12017 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184096 | 12017 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL332335 | 12017 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 259 | 4 | 0 | 3 | 2.7 | CCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 46890977 | 6654 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1083723 | 6654 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | Cc1ccc(-c2ccccc2C(=O)NCC2CCNCC2)cc1Cl | 10.1016/j.bmcl.2010.04.128 | ||
| 46871666 | 6991 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1084993 | 6991 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 342 | 4 | 2 | 2 | 4.0 | CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 10208897 | 62797 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 8 | 0 | 2 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779049 | 62797 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 8 | 0 | 2 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789387 | 62797 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 8 | 0 | 2 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10246307 | 117275 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 334 | 4 | 2 | 4 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401643 | 117275 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 334 | 4 | 2 | 4 | 2.3 | O=C(N[C@H]1CN2CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1016/j.bmcl.2015.02.065 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 11306852 | 13911 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 8 | 1 | 3 | 5.0 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2 | 10.1021/jm900132z | ||
| CHEMBL1197250 | 13911 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 8 | 1 | 3 | 5.0 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2 | 10.1021/jm900132z | ||
| CHEMBL563996 | 13911 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 8 | 1 | 3 | 5.0 | CCCCCCC[N+]12CCC(CC1)[C@@H](OC(=O)C1(O)c3ccccc3-c3ccccc31)C2 | 10.1021/jm900132z | ||
| 11539632 | 70217 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
| CHEMBL194837 | 70217 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 447 | 8 | 1 | 5 | 4.8 | Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12 | 10.1021/jm050103y | ||
| 9946010 | 62011 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779034 | 62011 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 342 | 4 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10053614 | 120367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 483 | 9 | 2 | 5 | 4.2 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401651 | 120367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 483 | 9 | 2 | 5 | 4.2 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559203 | 120367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 483 | 9 | 2 | 5 | 4.2 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 14075467 | 101010 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL297818 | 101010 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14075467 | 101010 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL297818 | 101010 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 455 | 6 | 1 | 5 | 4.2 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(Cl)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9705216 | ||
| 3071778 | 162734 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 18 | 0 | 6 | 6.9 | CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL418712 | 162734 | 2 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 18 | 0 | 6 | 6.9 | CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 3072509 | 5497 | 2 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107673 | 5497 | 2 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 486 | 13 | 2 | 10 | 4.5 | CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| 10333583 | 204330 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85264 | 204330 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 274 | 2 | 0 | 3 | 2.4 | Clc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10686988 | 12083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184244 | 12083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL340780 | 12083 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 317 | 8 | 0 | 3 | 4.2 | CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1 | 10.1021/jm980067l | ||
| 155522355 | 175835 | 0 | None | 31 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | 31 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | 31 | 5 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10852843 | 11819 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1182713 | 11819 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL262303 | 11819 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 315 | 4 | 0 | 3 | 4.0 | CCN1CC[C@@H](c2ccccc2)[C@H](C(=O)OC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44304805 | 201333 | 1 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3ccc(Cl)nc3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL345233 | 201333 | 1 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3ccc(Cl)nc3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| CHEMBL63325 | 201333 | 1 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 234 | 1 | 0 | 2 | 3.0 | CN1C2C=C(c3ccc(Cl)nc3)CC1CC2 | 10.1016/s0960-894x(99)00575-2 | ||
| 10132599 | 62009 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779032 | 62009 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 5 | 0 | 3 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10755733 | 11323 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL1180297 | 11323 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| CHEMBL120581 | 11323 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 287 | 5 | 0 | 3 | 3.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCC(C)C)C1 | 10.1021/jm980067l | ||
| 4189 | 205195 | 91 | None | -18 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 44275682 | 11886 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1183197 | 11886 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL284208 | 11886 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 210 | 2 | 0 | 3 | 1.0 | C#CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 3072514 | 5347 | 2 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 489 | 12 | 2 | 9 | 5.4 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107254 | 5347 | 2 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 489 | 12 | 2 | 9 | 5.4 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 19718 | 203116 | 7 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 168 | 2 | 0 | 2 | 0.0 | CC(=O)N(C)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL75358 | 203116 | 7 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 168 | 2 | 0 | 2 | 0.0 | CC(=O)N(C)CC#CCN(C)C | 10.1016/S0960-894X(00)80535-1 | ||
| 9308 | 17572 | 16 | None | 2 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | 2 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | 2 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | 2 | 7 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 10688349 | 12030 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184138 | 12030 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL334194 | 12030 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 6 | 0 | 3 | 3.9 | CCN1CC[C@@H](c2ccccc2)[C@@H](C(=O)OCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 54583840 | 62022 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 4.7 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779045 | 62022 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 4.7 | Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2CN3CCC2CC3)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10591874 | 13205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1192001 | 13205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL543177 | 13205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 321 | 5 | 0 | 3 | 3.9 | CCN1CCC(c2ccccc2)=C(C(=O)OCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705216 | ||
| 11811722 | 9970 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | ||
| CHEMBL115280 | 9970 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 5 | 1 | 4 | 4.4 | O=C1NCN(c2ccccc2)C12CCN(Cc1cccc(Oc3ccccc3)c1)CC2 | 10.1021/jm010878g | ||
| 5310989 | 199193 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL60142 | 199193 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 378 | 3 | 1 | 5 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 3042 | 1386 | 31 | None | -28 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1386 | 31 | None | -28 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1386 | 31 | None | -28 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1386 | 31 | None | -28 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1386 | 31 | None | -28 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 44275680 | 11059 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178406 | 11059 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL26932 | 11059 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 10660 | 14298 | 55 | None | -4 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14298 | 55 | None | -4 | 12 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 10826990 | 204436 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.7 | O=[N+]([O-])c1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL86197 | 204436 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 285 | 3 | 0 | 5 | 1.7 | O=[N+]([O-])c1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 44302879 | 201030 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61774 | 201030 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 348 | 1 | 1 | 4 | 3.7 | COC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10522202 | 11329 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180312 | 11329 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL121385 | 11329 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 7 | 0 | 3 | 5.1 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 44303018 | 200338 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60833 | 200338 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1cccc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 3055247 | 18742 | 6 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 14 | 2 | 8 | 3.2 | CN(C)Cc1ccc(CSCCNC(=NC#N)NCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12858 | 18742 | 6 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 14 | 2 | 8 | 3.2 | CN(C)Cc1ccc(CSCCNC(=NC#N)NCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 10755732 | 12015 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1184092 | 12015 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL332181 | 12015 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 287 | 6 | 0 | 3 | 3.4 | CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 5747382 | 108716 | 2 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL321605 | 108716 | 2 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 10549581 | 11344 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180349 | 11344 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL123198 | 11344 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 7 | 0 | 3 | 5.4 | CCN1CC=C(c2ccccc2)C(C(=O)OCC(c2ccccc2)c2ccccc2)C1 | 10.1021/jm980067l | ||
| 135398737 | 944 | 89 | None | -22 | 91 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 944 | 89 | None | -22 | 91 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 944 | 89 | None | -22 | 91 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 944 | 89 | None | -22 | 91 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 944 | 89 | None | -22 | 91 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 10563152 | 204350 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL85460 | 204350 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 258 | 2 | 0 | 3 | 1.9 | Fc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 72548703 | 161019 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| CHEMBL4128926 | 161019 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 583 | 8 | 3 | 6 | 5.8 | CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)N[C@H]3C[C@H](C(=O)O)C3)nc2CC2CCCCC2)c2ccccc12 | 10.1016/j.bmcl.2018.03.093 | ||
| 10082470 | 52437 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL15944 | 52437 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| CHEMBL308608 | 52437 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 227 | 2 | 0 | 5 | 2.0 | CSc1nsnc1C1=CCCN(C)C1 | 10.1021/jm9705216 | ||
| 9804849 | 67117 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
| CHEMBL189118 | 67117 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 8 | 1 | 5 | 5.1 | Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)/C=C/c3ccc(OC(F)(F)F)cc3)cc12 | 10.1021/jm050103y | ||
| 44275626 | 11061 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178434 | 11061 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL28033 | 11061 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 214 | 2 | 0 | 3 | 1.8 | CC(C)Oc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 10522336 | 14961 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL120972 | 14961 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 357 | 11 | 0 | 3 | 5.3 | CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 44303397 | 101818 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL303360 | 101818 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 359 | 3 | 0 | 5 | 3.1 | Clc1cccc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 9308 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 44275680 | 11059 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178406 | 11059 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL26932 | 11059 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 200 | 2 | 0 | 3 | 1.4 | CCOc1noc2c1C[S+](C)CC2 | 10.1021/jm00402a010 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00128a008 | ||
| 14054139 | 161218 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 2 | 1 | 4 | 2.7 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| CHEMBL413966 | 161218 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 2 | 1 | 4 | 2.7 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)C1 | 10.1021/jm00401a016 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00048a014 | ||
| 52950036 | 18965 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 391 | 3 | 0 | 5 | 3.3 | O=C(c1cscn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289544 | 18965 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 391 | 3 | 0 | 5 | 3.3 | O=C(c1cscn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52943879 | 19153 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 3.7 | Cc1ccc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)o1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290753 | 19153 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 388 | 3 | 0 | 4 | 3.7 | Cc1ccc(C(=O)N2CCOC3(CCN(Cc4ccc(Cl)cc4)CC3)C2)o1 | 10.1016/j.bmcl.2010.10.016 | ||
| 11569926 | 62803 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 2 | 5.7 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779048 | 62803 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 2 | 5.7 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789434 | 62803 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 7 | 0 | 2 | 5.7 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 14054137 | 98428 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 5 | 1 | 4 | 3.0 | CN(C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL279135 | 98428 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 338 | 5 | 1 | 4 | 3.0 | CN(C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 44268378 | 21751 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 497 | 17 | 2 | 10 | 3.4 | CN(C)Cc1ccc(CSCCN/C=C(/NCCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| CHEMBL13206 | 21751 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 497 | 17 | 2 | 10 | 3.4 | CN(C)Cc1ccc(CSCCN/C=C(/NCCSCc2ccc(CN(C)C)o2)[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| 14590394 | 180304 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 407 | 4 | 1 | 4 | 4.1 | CCN(CC)CC1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL47575 | 180304 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 407 | 4 | 1 | 4 | 4.1 | CCN(CC)CC1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14590394 | 180304 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 407 | 4 | 1 | 4 | 4.1 | CCN(CC)CC1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL47575 | 180304 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 407 | 4 | 1 | 4 | 4.1 | CCN(CC)CC1CCCCN1C(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 176 | 394 | 63 | None | -2 | 31 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -2 | 31 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -2 | 31 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -2 | 31 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -2 | 31 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| 10937901 | 9817 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | ||
| CHEMBL114379 | 9817 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 385 | 3 | 1 | 6 | 4.0 | Oc1nc2ccccc2n1C1CCN(Cc2cc3c(cc2Cl)OCO3)CC1 | 10.1021/jm010878g | ||
| 10058347 | 105451 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL312823 | 105451 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 190 | 3 | 0 | 3 | 0.9 | C#C/C=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10035533 | 203990 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 194 | 3 | 0 | 3 | 1.7 | CC(C)=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL82378 | 203990 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 194 | 3 | 0 | 3 | 1.7 | CC(C)=CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10854880 | 11316 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180282 | 11316 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL120080 | 11316 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 5.1 | CCCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 3071774 | 21348 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 410 | 14 | 0 | 6 | 5.3 | CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL13166 | 21348 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 410 | 14 | 0 | 6 | 5.3 | CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 1726 | 2461 | 12 | None | -3 | 5 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -3 | 5 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -3 | 5 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -3 | 5 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -3 | 5 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1726 | 2461 | 12 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -2 | 5 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 5487543 | 203933 | 4 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| CHEMBL81878 | 203933 | 4 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1cccc(C#CCO/N=C2\CN3CCC2C3)c1 | 10.1021/jm960683m | ||
| 43815 | 186337 | 58 | None | -15 | 24 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186337 | 58 | None | -15 | 24 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186337 | 58 | None | -15 | 24 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 3071777 | 162735 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 17 | 0 | 6 | 6.5 | CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL418714 | 162735 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 17 | 0 | 6 | 6.5 | CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 10636001 | 11320 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1180290 | 11320 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL120329 | 11320 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 273 | 5 | 0 | 3 | 3.1 | CCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 5648 | 78002 | 7 | None | -2 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78002 | 7 | None | -2 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78002 | 7 | None | -2 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 1734 | 116 | 8 | None | -9 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 307 | 116 | 8 | None | -9 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL168067 | 116 | 8 | None | -9 | 12 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 3071779 | 16643 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 12 | 0 | 6 | 5.9 | CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL12472 | 16643 | 2 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 444 | 12 | 0 | 6 | 5.9 | CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1 | 10.1021/jm00084a015 | ||
| 15685982 | 56232 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 194 | 3 | 1 | 3 | 1.6 | CC(/C=N/O)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL163661 | 56232 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 194 | 3 | 1 | 3 | 1.6 | CC(/C=N/O)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 13578552 | 159630 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.3 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCC2)c2ccccc21 | 10.1021/jm00128a008 | ||
| CHEMBL410928 | 159630 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.3 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCC2)c2ccccc21 | 10.1021/jm00128a008 | ||
| 13578552 | 159630 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.3 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCC2)c2ccccc21 | 10.1021/jm00048a014 | ||
| CHEMBL410928 | 159630 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 3.3 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCC2)c2ccccc21 | 10.1021/jm00048a014 | ||
| 9905467 | 11331 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180316 | 11331 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL121520 | 11331 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.3 | CCN1CCC(c2ccccc2)=C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 6075 | 149575 | 36 | None | -7 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 149575 | 36 | None | -7 | 16 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 3072501 | 106785 | 6 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL316973 | 106785 | 6 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 154059 | 3580 | 49 | None | -12 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 2457 | 3580 | 49 | None | -12 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 7483 | 3580 | 49 | None | -12 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1734 | 3580 | 49 | None | -12 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| DB01591 | 3580 | 49 | None | -12 | 8 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 2335 | 11743 | 21 | None | -2 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11743 | 21 | None | -2 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11743 | 21 | None | -2 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11743 | 21 | None | -2 | 12 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 3071775 | 96768 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 424 | 15 | 0 | 6 | 5.7 | CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL268499 | 96768 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 424 | 15 | 0 | 6 | 5.7 | CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 3071771 | 20894 | 3 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 592 | 18 | 2 | 12 | 5.5 | CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| CHEMBL13122 | 20894 | 3 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 592 | 18 | 2 | 12 | 5.5 | CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00084a015 | ||
| 2230 | 461 | 55 | None | -107 | 10 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| 296 | 461 | 55 | None | -107 | 10 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| CHEMBL7303 | 461 | 55 | None | -107 | 10 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| DB04365 | 461 | 55 | None | -107 | 10 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm00402a010 | ||
| 44575653 | 181062 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 327 | 14 | 7 | 4 | 0.4 | N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N | 10.1021/np50120a004 | ||
| CHEMBL477542 | 181062 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 327 | 14 | 7 | 4 | 0.4 | N=C(N)NCCCCCCCCC(=O)C(N)CCCNC(=N)N | 10.1021/np50120a004 | ||
| 52943696 | 19069 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 3 | 0 | 2 | 4.2 | O=C(c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290294 | 19069 | 2 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 348 | 3 | 0 | 2 | 4.2 | O=C(c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 14374296 | 101183 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL299142 | 101183 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 13578554 | 171859 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 461 | 5 | 1 | 5 | 4.4 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCC1 | 10.1021/jm00128a008 | ||
| CHEMBL44773 | 171859 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 461 | 5 | 1 | 5 | 4.4 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCC1 | 10.1021/jm00128a008 | ||
| 14374296 | 101183 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL299142 | 101183 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 8 | 1 | 5 | 4.3 | CCN(CC)CCCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 13578554 | 171859 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 461 | 5 | 1 | 5 | 4.4 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCC1 | 10.1021/jm00048a014 | ||
| CHEMBL44773 | 171859 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 461 | 5 | 1 | 5 | 4.4 | CN(CC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C1CCCCC1 | 10.1021/jm00048a014 | ||
| 6410685 | 108769 | 2 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 337 | 9 | 1 | 8 | 2.4 | CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL321808 | 108769 | 2 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 337 | 9 | 1 | 8 | 2.4 | CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 13578555 | 176106 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCCC2)c2ccccc21 | 10.1021/jm00128a008 | ||
| CHEMBL45983 | 176106 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCCC2)c2ccccc21 | 10.1021/jm00128a008 | ||
| 14590399 | 100808 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 2.8 | CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL296365 | 100808 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 2.8 | CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14054144 | 60112 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 337 | 0 | 1 | 4 | 2.2 | CN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17519 | 60112 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 337 | 0 | 1 | 4 | 2.2 | CN1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 14590399 | 100808 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 2.8 | CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL296365 | 100808 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 2 | 5 | 2.8 | CCNCC1CCCCN1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 13578555 | 176106 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCCC2)c2ccccc21 | 10.1021/jm00048a014 | ||
| CHEMBL45983 | 176106 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=C1Nc2cccnc2N(C(=O)CN2CCCCC2CN2CCCCC2)c2ccccc21 | 10.1021/jm00048a014 | ||
| 10851853 | 12082 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184242 | 12082 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL340561 | 12082 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 301 | 7 | 0 | 3 | 3.9 | CCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 71450872 | 78269 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL2112418 | 78269 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2cccnc2N(C(=O)C[C@@H]2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 10058744 | 204657 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL87622 | 204657 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 204 | 3 | 0 | 3 | 1.3 | C#C/C(C)=C/CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10397133 | 106579 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL315676 | 106579 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 164 | 2 | 0 | 3 | 0.3 | C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 10487582 | 28018 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL137384 | 28018 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 24180125 | 95212 | 63 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 469 | 5 | 2 | 8 | 3.7 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | 10.1021/jm8012954 | ||
| CHEMBL257991 | 95212 | 63 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 469 | 5 | 2 | 8 | 3.7 | O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1 | 10.1021/jm8012954 | ||
| 44303017 | 199149 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| CHEMBL60101 | 199149 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 343 | 3 | 0 | 5 | 2.4 | Clc1ccc(C#CCOc2nsnc2C23CN4CC2C3C4)cc1 | 10.1021/jm9910019 | ||
| 52947553 | 18916 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 3.4 | O=C(c1ccoc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289202 | 18916 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 374 | 3 | 0 | 4 | 3.4 | O=C(c1ccoc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 3072513 | 6185 | 4 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 471 | 12 | 2 | 9 | 5.2 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL108163 | 6185 | 4 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 471 | 12 | 2 | 9 | 5.2 | CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 118728611 | 117276 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401644 | 117276 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 294 | 4 | 2 | 4 | 1.6 | CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 60691 | 101081 | 19 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm9506433 | ||
| CHEMBL29835 | 101081 | 19 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 251 | 4 | 0 | 3 | 3.7 | CCCN(c1ccncc1)n1ccc2ccccc21 | 10.1021/jm9506433 | ||
| 15685977 | 119837 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 193 | 3 | 0 | 2 | 1.7 | CC(=O)C(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL353023 | 119837 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 193 | 3 | 0 | 2 | 1.7 | CC(=O)C(C)CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 2726 | 906 | 64 | None | -79 | 72 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 906 | 64 | None | -79 | 72 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 906 | 64 | None | -79 | 72 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 906 | 64 | None | -79 | 72 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 906 | 64 | None | -79 | 72 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10499832 | 12029 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184134 | 12029 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL334093 | 12029 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 377 | 9 | 0 | 3 | 5.0 | CCN1CC=C(c2ccccc2)C(C(=O)OCCCCCc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10782462 | 12008 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184068 | 12008 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| CHEMBL330999 | 12008 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 327 | 5 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCC2CCCCC2)C1 | 10.1021/jm980067l | ||
| 14660293 | 52373 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | ||
| CHEMBL15936 | 52373 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 191 | 0 | 1 | 4 | 1.3 | c1cc2nsnc2c2c1CCNC2 | 10.1021/jm9705216 | ||
| 3072504 | 5735 | 7 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107892 | 5735 | 7 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 44333819 | 4645 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2ccccc2N(C(=O)CC2CCCN3CCCCC23)c2ncccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL103529 | 4645 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 390 | 2 | 1 | 4 | 4.0 | O=C1Nc2ccccc2N(C(=O)CC2CCCN3CCCCC23)c2ncccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/s0960-894x(99)00528-4 | ||
| 10707175 | 204431 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL86150 | 204431 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccccc1C#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 1210 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -162 | 20 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 10187216 | 62808 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779128 | 62808 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789452 | 62808 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 8 | 0 | 3 | 6.1 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 14590402 | 100618 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| CHEMBL294919 | 100618 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00128a008 | ||
| 14590402 | 100618 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| CHEMBL294919 | 100618 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 3.8 | CCN(CC)CC1CCCCN1CC(=O)N1c2cc(C)ccc2C(=O)Nc2cccnc21 | 10.1021/jm00048a014 | ||
| 13269694 | 59136 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17120 | 59136 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 14054135 | 61189 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 1.9 | CN(C)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17709 | 61189 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 1.9 | CN(C)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 10511551 | 25627 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| CHEMBL135328 | 25627 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 179 | 2 | 0 | 4 | 0.5 | CO/N=C(\C#N)[C@@H]1CN2CC[C@H]1C2 | 10.1021/jm9702903 | ||
| 3072502 | 4857 | 12 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 398 | 10 | 1 | 8 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL104681 | 4857 | 12 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 398 | 10 | 1 | 8 | 3.6 | CN(C)Cc1ccc(CSCCNc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 24871823 | 92097 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 355 | 3 | 0 | 7 | 3.2 | C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12 | 10.1021/jm400926x | ||
| CHEMBL2431819 | 92097 | 3 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 355 | 3 | 0 | 7 | 3.2 | C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12 | 10.1021/jm400926x | ||
| 3071776 | 24345 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 16 | 0 | 6 | 6.1 | CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| CHEMBL13426 | 24345 | 2 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 438 | 16 | 0 | 6 | 6.1 | CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1 | 10.1021/jm00084a015 | ||
| 10806268 | 12031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL1184139 | 12031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| CHEMBL334245 | 12031 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.7 | CCCCCCCOC(=O)C1=C(c2ccccc2)CCN(CC)C1 | 10.1021/jm980067l | ||
| 15181802 | 12059 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 471 | 7 | 0 | 7 | 3.4 | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| CHEMBL1184199 | 12059 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 471 | 7 | 0 | 7 | 3.4 | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| CHEMBL338611 | 12059 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 471 | 7 | 0 | 7 | 3.4 | Cn1c(=O)c2c(ncn2CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)n(C)c1=O | 10.1021/jm00020a018 | ||
| 10666533 | 11327 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180310 | 11327 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL121299 | 11327 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 3.8 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm980067l | ||
| 14058518 | 11058 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178388 | 11058 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL25649 | 11058 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| 10592484 | 11330 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180314 | 11330 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL121476 | 11330 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 329 | 9 | 0 | 3 | 4.5 | CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 1212 | 1632 | 45 | None | -1380 | 65 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1632 | 45 | None | -1380 | 65 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1632 | 45 | None | -1380 | 65 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1632 | 45 | None | -1380 | 65 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1632 | 45 | None | -1380 | 65 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 11256587 | 2427 | 53 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| 8580 | 2427 | 53 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| CHEMBL518924 | 2427 | 53 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| DB05501 | 2427 | 53 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 349 | 7 | 2 | 4 | 3.6 | NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| 9966959 | 62018 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.6 | CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779041 | 62018 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 3.6 | CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmcl.2011.03.096 | ||
| 44333822 | 4597 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 2 | 1 | 4 | 4.8 | O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL103189 | 4597 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 406 | 2 | 1 | 4 | 4.8 | O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 10048670 | 106972 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 436 | 4 | 1 | 5 | 4.3 | O=C1Nc2cccnc2N(C(=O)CSCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| CHEMBL318316 | 106972 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 436 | 4 | 1 | 5 | 4.3 | O=C1Nc2cccnc2N(C(=O)CSCC2CCCN3CCCCC23)c2ccccc21 | 10.1016/s0960-894x(99)00528-4 | ||
| 57345320 | 3772 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| 9882 | 3772 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| CHEMBL3091687 | 3772 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 364 | 7 | 2 | 4 | 3.2 | NCCCCN([C@H]1CCCc2c1nccc2)C[C@@H]1NCc2c(C1)cccc2 | 10.1021/acs.jmedchem.1c01564 | ||
| 3055 | 1405 | 43 | None | -2 | 9 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1405 | 43 | None | -2 | 9 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1405 | 43 | None | -2 | 9 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1405 | 43 | None | -2 | 9 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1405 | 43 | None | -2 | 9 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 44302755 | 200989 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL61494 | 200989 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 408 | 4 | 1 | 6 | 3.8 | CCOC(=O)c1c[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10854879 | 11312 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL1180239 | 11312 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| CHEMBL118241 | 11312 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 10 | 0 | 3 | 4.9 | CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 | 10.1021/jm980067l | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 1016 | 3690 | 75 | None | -23 | 35 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3690 | 75 | None | -23 | 35 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3690 | 75 | None | -23 | 35 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3690 | 75 | None | -23 | 35 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3690 | 75 | None | -23 | 35 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3690 | 75 | None | -23 | 35 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 3191 | 102385 | 93 | None | -8 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102385 | 93 | None | -8 | 25 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 44303293 | 199741 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60479 | 199741 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 393 | 3 | 0 | 5 | 3.8 | Clc1cc(Cl)cc(C#CCSc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 44235638 | 193644 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 347 | 2 | 0 | 3 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21 | 10.1021/jm900132z | ||
| CHEMBL551525 | 193644 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 347 | 2 | 0 | 3 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc21 | 10.1021/jm900132z | ||
| 52945165 | 18949 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 2.8 | O=C(c1ccon1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1289432 | 18949 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 375 | 3 | 0 | 5 | 2.8 | O=C(c1ccon1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52942497 | 19070 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 349 | 3 | 0 | 3 | 3.6 | O=C(c1cccnc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290295 | 19070 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 349 | 3 | 0 | 3 | 3.6 | O=C(c1cccnc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 3233138 | 19092 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 338 | 3 | 0 | 3 | 3.8 | O=C(c1ccco1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290409 | 19092 | 2 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 338 | 3 | 0 | 3 | 3.8 | O=C(c1ccco1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 52949883 | 19130 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 392 | 5 | 0 | 3 | 4.6 | CCOc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290634 | 19130 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 392 | 5 | 0 | 3 | 4.6 | CCOc1ccccc1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2010.10.016 | ||
| 57396813 | 71201 | 0 | None | - | 5 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1949930 | 71201 | 0 | None | - | 5 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| CHEMBL1963007 | 71201 | 0 | None | - | 5 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 403 | 5 | 1 | 6 | 3.2 | COc1cc(OC(C)C)cc(S(=O)(=O)c2ccc3c(c2)O[C@H]2CNCC[C@@H]32)c1 | 10.1016/j.bmcl.2011.12.026 | ||
| 10085070 | 204266 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL84726 | 204266 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 2.7 | C/C(C#Cc1ccccc1)=C\CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 52946068 | 19037 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 413 | 4 | 0 | 5 | 4.1 | Cc1ccccc1CN1CCC2(CC1)CN(C(=O)c1csc(C(C)C)n1)CCO2 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290077 | 19037 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 413 | 4 | 0 | 5 | 4.1 | Cc1ccccc1CN1CCC2(CC1)CN(C(=O)c1csc(C(C)C)n1)CCO2 | 10.1016/j.bmcl.2010.10.016 | ||
| 52947416 | 19110 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 341 | 2 | 0 | 3 | 3.2 | O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)N1CC=CO1 | 10.1016/j.bmcl.2010.10.016 | ||
| CHEMBL1290519 | 19110 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 341 | 2 | 0 | 3 | 3.2 | O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)N1CC=CO1 | 10.1016/j.bmcl.2010.10.016 | ||
| 46891488 | 7094 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 328 | 4 | 2 | 2 | 3.7 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| CHEMBL1085507 | 7094 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 328 | 4 | 2 | 2 | 3.7 | O=C(NCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.128 | ||
| 14054142 | 59206 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.2 | CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| CHEMBL17155 | 59206 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.2 | CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00401a016 | ||
| 10143858 | 62809 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779132 | 62809 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789454 | 62809 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 467 | 8 | 0 | 4 | 6.2 | O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 10164137 | 62796 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 423 | 9 | 0 | 3 | 5.1 | CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779137 | 62796 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 423 | 9 | 0 | 3 | 5.1 | CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1789386 | 62796 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 423 | 9 | 0 | 3 | 5.1 | CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2011.03.096 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00128a008 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00128a008 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00128a008 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00128a008 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00128a008 | ||
| 14590395 | 101048 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00128a008 | ||
| CHEMBL298078 | 101048 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00128a008 | ||
| 14590395 | 101048 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00048a014 | ||
| CHEMBL298078 | 101048 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.4 | CCN(CC)CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00048a014 | ||
| 16005860 | 186823 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 4.8 | CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 | 10.1021/jm800830n | ||
| CHEMBL493677 | 186823 | 6 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 4.8 | CC(C)(C)CCN1CC[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2)[C@H](F)C1 | 10.1021/jm800830n | ||
| 67547662 | 120372 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 4.2 | CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401653 | 120372 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 4.2 | CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559210 | 120372 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 482 | 7 | 2 | 3 | 4.2 | CN(CCC[N+]12CCC(CC1)[C@@H](NC(=O)C1(O)c3ccccc3-c3ccccc31)C2)c1ccccc1 | 10.1016/j.bmcl.2015.02.065 | ||
| 42636350 | 82181 | 36 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 3.6 | Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O | 10.1021/jm301296t | ||
| CHEMBL2178953 | 82181 | 36 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 3.6 | Cc1nc(C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O | 10.1021/jm301296t | ||
| 9990434 | 105858 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL313918 | 105858 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 202 | 2 | 0 | 3 | 0.7 | C#CCC#CCO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 180 | 397 | 50 | None | -27 | 38 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -27 | 38 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -27 | 38 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -27 | 38 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -27 | 38 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 1530 | 2151 | 44 | None | -43 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2151 | 44 | None | -43 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2151 | 44 | None | -43 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2151 | 44 | None | -43 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2151 | 44 | None | -43 | 20 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 10778462 | 204289 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| CHEMBL84919 | 204289 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 270 | 3 | 0 | 4 | 1.8 | COc1ccc(C#CCO/N=C2\CN3CCC2C3)cc1 | 10.1021/jm960683m | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(00)80535-1 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(01)80787-3 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/S0960-894X(01)80787-3 | ||
| 44265375 | 204427 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL8610 | 204427 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 2 | 0 | 4 | 0.8 | C(#CCN1CCCC1)COC1=NOCC1 | 10.1016/S0960-894X(97)00150-9 | ||
| CHEMBL5070958 | 212478 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | NCCCCN(C[C@H]1Cc2ncccc2CN1)[C@H]1CCCc2cccnc21 | 10.1021/acs.jmedchem.1c01564 | ||||
| 54584800 | 62016 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 356 | 5 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779039 | 62016 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 356 | 5 | 0 | 4 | 4.0 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1 | 10.1016/j.bmcl.2011.03.096 | ||
| 2166 | 3074 | 46 | None | -269 | 8 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 305 | 3074 | 46 | None | -269 | 8 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 5910 | 3074 | 46 | None | -269 | 8 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL550 | 3074 | 46 | None | -269 | 8 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| DB01085 | 3074 | 46 | None | -269 | 8 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/S0960-894X(01)80787-3 | ||
| 10610448 | 204405 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1cccs1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| CHEMBL85936 | 204405 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 246 | 2 | 0 | 4 | 1.8 | C(#Cc1cccs1)CO/N=C1\CN2CCC1C2 | 10.1021/jm960683m | ||
| 13271741 | 59220 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 1 | 2 | 5 | 1.7 | CN1CCN(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17162 | 59220 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 1 | 2 | 5 | 1.7 | CN1CCN(NC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 13271742 | 59339 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 1 | 1 | 5 | 3.0 | CN1CCC(OC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| CHEMBL17213 | 59339 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 352 | 1 | 1 | 5 | 3.0 | CN1CCC(OC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00401a016 | ||
| 10392705 | 120368 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 467 | 9 | 1 | 4 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3401652 | 120368 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 467 | 9 | 1 | 4 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| CHEMBL3559204 | 120368 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 467 | 9 | 1 | 4 | 5.1 | O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 | 10.1016/j.bmcl.2015.02.065 | ||
| 2230 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| 296 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| CHEMBL7303 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| DB04365 | 461 | 55 | None | -107 | 10 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/S0960-894X(01)80787-3 | ||
| 44303408 | 200261 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| CHEMBL60777 | 200261 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 361 | 3 | 0 | 5 | 2.6 | Fc1cc(Cl)cc(C#CCOc2nsnc2C23CN4CC2C3C4)c1 | 10.1021/jm9910019 | ||
| 49853884 | 90252 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| CHEMBL2391353 | 90252 | 0 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 265 | 3 | 1 | 3 | 1.2 | O=C(CN1CCN2CCC[C@H]2C1)NC1CCCCC1 | 10.1016/j.bmc.2013.02.058 | ||
| 44302728 | 197036 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL58228 | 197036 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 422 | 4 | 1 | 6 | 4.1 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)c(OC)cc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 14058518 | 11058 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL1178388 | 11058 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| CHEMBL25649 | 11058 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 0.8 | COc1noc2c1C[N+](C)(C)CC2 | 10.1021/jm00402a010 | ||
| 44302776 | 101880 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| CHEMBL303758 | 101880 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 376 | 2 | 1 | 4 | 4.4 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2C1O3 | 10.1016/s0960-894x(98)00351-5 | ||
| 10614695 | 12051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1184188 | 12051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| CHEMBL338280 | 12051 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 307 | 4 | 0 | 3 | 3.8 | CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1 | 10.1021/jm980067l | ||
| 10569816 | 11354 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL1180367 | 11354 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| CHEMBL124173 | 11354 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 349 | 6 | 0 | 3 | 4.1 | CCN1CC=C(c2ccccc2)C(C(=O)OCCc2ccc(C)cc2)C1 | 10.1021/jm980067l | ||
| 10248541 | 182317 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 15 | 7 | 4 | 0.5 | CC(=O)NC(CCCNC(=N)N)C(=O)CCCCCCCCNC(=N)N | 10.1021/np50120a004 | ||
| CHEMBL479224 | 182317 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 15 | 7 | 4 | 0.5 | CC(=O)NC(CCCNC(=N)N)C(=O)CCCCCCCCNC(=N)N | 10.1021/np50120a004 | ||
| 237 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm980067l | ||
| 25147683 | 62023 | 32 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 408 | 4 | 0 | 3 | 4.5 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| CHEMBL1779046 | 62023 | 32 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 408 | 4 | 0 | 3 | 4.5 | O=C(O[C@H]1CN2CCC1CC2)N(Cc1cc(F)c(F)c(F)c1)c1cccc(F)c1 | 10.1016/j.bmcl.2011.03.096 | ||
| 164612037 | 184795 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL4860528 | 184795 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 326 | 8 | 4 | 4 | 1.8 | CCCCCNC(=O)/N=C(\N)NCCCc1sc(N)nc1C | 10.1021/acs.jmedchem.1c00692 | ||
| 168290235 | 192366 | 0 | None | -6 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5201074 | 192366 | 0 | None | -6 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222491 | 192366 | 0 | None | -6 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 315 | 6 | 4 | 3 | 1.1 | C[C@@H](NC(=O)/N=C(\N)NCCCc1ncn[nH]1)c1ccccc1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168294767 | 192417 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5207281 | 192417 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222802 | 192417 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 313 | 8 | 4 | 5 | 0.9 | CCCCCNC(=O)/N=C(\N)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 168295528 | 192429 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5206565 | 192429 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| CHEMBL5222872 | 192429 | 0 | None | -1 | 20 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 333 | 6 | 4 | 5 | 0.9 | N/C(=N\C(=O)NCc1ccccc1)NCCCc1nnc(N)s1 | 10.1021/acs.jmedchem.1c00692 | ||
| 10457079 | 9935 | 0 | None | -4 | 2 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL115078 | 9935 | 0 | None | -4 | 2 | Human | 9.8 | pKd | = | 9.8 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00020a004 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.7 | pKd | = | 9.7 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKd | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10387775 | 78083 | 0 | None | -3 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL2111842 | 78083 | 0 | None | -3 | 2 | Rat | 9.4 | pKd | = | 9.4 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 156015807 | 177724 | 0 | None | 3 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 3 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 3 | 5 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 162677523 | 183092 | 0 | None | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4756833 | 183092 | 0 | None | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4802932 | 183092 | 0 | None | -1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 10387775 | 78083 | 0 | None | -3 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL2111842 | 78083 | 0 | None | -3 | 2 | Rat | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C\I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 162649253 | 183063 | 0 | None | 1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4748004 | 183063 | 0 | None | 1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4802611 | 183063 | 0 | None | 1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 156015900 | 177746 | 0 | None | 5 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643273 | 177746 | 0 | None | 5 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651104 | 177746 | 0 | None | 5 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156015900 | 177746 | 0 | None | 5 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643273 | 177746 | 0 | None | 5 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651104 | 177746 | 0 | None | 5 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.2 | pKd | = | 9.2 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 156015807 | 177724 | 0 | None | 3 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 3 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 3 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 4120 | 5857 | 6 | None | -1 | 3 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL107979 | 5857 | 6 | None | -1 | 3 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL293927 | 5857 | 6 | None | -1 | 3 | Rat | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 156015807 | 177724 | 0 | None | 3 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 3 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 3 | 5 | Human | 9.1 | pKd | = | 9.1 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKd | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 162677523 | 183092 | 0 | None | -1 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4756833 | 183092 | 0 | None | -1 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4802932 | 183092 | 0 | None | -1 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 930 | 14 | 2 | 10 | 5.8 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 156014820 | 177730 | 0 | None | 3 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4646116 | 177730 | 0 | None | 3 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4650998 | 177730 | 0 | None | 3 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 156015978 | 177748 | 0 | None | 1 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 5 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 14753629 | 13557 | 0 | None | -1 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 302 | 5 | 2 | 4 | 1.9 | N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1194660 | 13557 | 0 | None | -1 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 302 | 5 | 2 | 4 | 1.9 | N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL553066 | 13557 | 0 | None | -1 | 3 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 302 | 5 | 2 | 4 | 1.9 | N=CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 10101246 | 9455 | 0 | None | -81 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | -81 | 2 | Human | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 162654942 | 183089 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4754371 | 183089 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802913 | 183089 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 162649253 | 183063 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4748004 | 183063 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4802611 | 183063 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 807 | 12 | 1 | 6 | 7.9 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 156016041 | 177672 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 162645430 | 183045 | 0 | None | -1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4744233 | 183045 | 0 | None | -1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802409 | 183045 | 0 | None | -1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/0960-894X(94)00459-S | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/0960-894X(94)00459-S | ||
| 14753632 | 13397 | 0 | None | -2 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 316 | 5 | 2 | 5 | 0.9 | N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1193564 | 13397 | 0 | None | -2 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 316 | 5 | 2 | 5 | 0.9 | N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL544993 | 13397 | 0 | None | -2 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 316 | 5 | 2 | 5 | 0.9 | N=CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 14753634 | 13615 | 0 | None | -5 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 316 | 4 | 2 | 4 | 2.3 | CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1195059 | 13615 | 0 | None | -5 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 316 | 4 | 2 | 4 | 2.3 | CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL553783 | 13615 | 0 | None | -5 | 3 | Rat | 8.0 | pKd | = | 8 | Binding | ChEMBL | 316 | 4 | 2 | 4 | 2.3 | CC(=N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 156015153 | 177732 | 0 | None | 1 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 5 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 10125445 | 75675 | 0 | None | -25 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| CHEMBL205654 | 75675 | 0 | None | -25 | 5 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| 71716224 | 86528 | 0 | None | -1 | 3 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 317 | 4 | 0 | 5 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)Cc3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323444 | 86528 | 0 | None | -1 | 3 | Guinea pig | 6.0 | pKd | = | 6.0 | Binding | ChEMBL | 317 | 4 | 0 | 5 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)Cc3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 14753624 | 13624 | 0 | None | -4 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 317 | 4 | 3 | 4 | 1.2 | N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1195123 | 13624 | 0 | None | -4 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 317 | 4 | 3 | 4 | 1.2 | N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL553894 | 13624 | 0 | None | -4 | 3 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 317 | 4 | 3 | 4 | 1.2 | N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 156016041 | 177672 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156016041 | 177672 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | 1 | 5 | Human | 7.9 | pKd | = | 7.9 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 15038486 | 85341 | 0 | None | 3 | 3 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22923 | 85341 | 0 | None | 3 | 3 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80325-X | ||
| 15038486 | 85341 | 0 | None | 3 | 3 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80534-X | ||
| CHEMBL22923 | 85341 | 0 | None | 3 | 3 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80534-X | ||
| 71718669 | 86530 | 0 | None | 2 | 3 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 2.0 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323446 | 86530 | 0 | None | 2 | 3 | Guinea pig | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 2.0 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 44457850 | 98501 | 0 | None | -1 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL279712 | 98501 | 0 | None | -1 | 2 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 76315655 | 105724 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| 76315655 | 105724 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261153 | 105724 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261153 | 105724 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3138747 | 105724 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3138747 | 105724 | 0 | None | - | 1 | Guinea pig | 5.8 | pKd | = | 5.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| 11957991 | 105965 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| 11957991 | 105965 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261155 | 105965 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261155 | 105965 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139843 | 105965 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139843 | 105965 | 0 | None | - | 1 | Guinea pig | 5.7 | pKd | = | 5.7 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 162654942 | 183089 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4754371 | 183089 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802913 | 183089 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 833 | 17 | 2 | 7 | 8.1 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 156015153 | 177732 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156015978 | 177748 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 5 | Human | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44457838 | 161333 | 0 | None | 2 | 2 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL415038 | 161333 | 0 | None | 2 | 2 | Rat | 8.7 | pKd | = | 8.7 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 156014820 | 177730 | 0 | None | 3 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4646116 | 177730 | 0 | None | 3 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| CHEMBL4650998 | 177730 | 0 | None | 3 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1039/d0md00137f | ||
| 162677513 | 183162 | 0 | None | 1 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4789147 | 183162 | 0 | None | 1 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4803695 | 183162 | 0 | None | 1 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 156015153 | 177732 | 0 | None | 1 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 5 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00170a010 | ||
| 5861 | 11180 | 10 | None | -1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL1179176 | 11180 | 10 | None | -1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| CHEMBL63452 | 11180 | 10 | None | -1 | 3 | Rat | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm00170a010 | ||
| 156015978 | 177748 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44457835 | 82973 | 0 | None | -11 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCCC1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL21942 | 82973 | 0 | None | -11 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCCC1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 44457839 | 83580 | 0 | None | -4 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.2 | CN1CCCCC1C/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22071 | 83580 | 0 | None | -4 | 2 | Rat | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.2 | CN1CCCCC1C/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 3636 | 11043 | 5 | None | 1 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1178342 | 11043 | 5 | None | 1 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL21823 | 11043 | 5 | None | 1 | 3 | Rat | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 360 | 7 | 1 | 4 | 2.2 | CCCC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 14753627 | 13594 | 0 | None | -5 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 331 | 4 | 3 | 5 | 0.2 | N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1194941 | 13594 | 0 | None | -5 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 331 | 4 | 3 | 5 | 0.2 | N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL553562 | 13594 | 0 | None | -5 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 331 | 4 | 3 | 5 | 0.2 | N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 44373048 | 52250 | 0 | None | 2 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 5.0 | CC(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2[C@@H](/C=C/[C@H]2CCC[C@H](C)N2C)[C@H]1[C@H](C)OC(C)=O | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL159189 | 52250 | 0 | None | 2 | 2 | Rat | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 433 | 6 | 0 | 5 | 5.0 | CC(=O)OC[C@H]1C[C@H]2CCCC[C@@H]2[C@@H](/C=C/[C@H]2CCC[C@H](C)N2C)[C@H]1[C@H](C)OC(C)=O | 10.1016/0960-894X(94)00459-S | ||
| 44457833 | 94349 | 0 | None | -7 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.3 | CN1CCCCC1/C=C/C1c2ccccc2OC2C=CC=CC21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL25334 | 94349 | 0 | None | -7 | 2 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 307 | 2 | 0 | 2 | 4.3 | CN1CCCCC1/C=C/C1c2ccccc2OC2C=CC=CC21 | 10.1016/S0960-894X(00)80325-X | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 76312112 | 105959 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| 76312112 | 105959 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261148 | 105959 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261148 | 105959 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139732 | 105959 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139732 | 105959 | 0 | None | - | 1 | Guinea pig | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| 76315655 | 105854 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| 76315655 | 105854 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261152 | 105854 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261152 | 105854 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139166 | 105854 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139166 | 105854 | 0 | None | - | 1 | Guinea pig | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 3.1 | CN(C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| 76312110 | 105956 | 0 | None | - | 1 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| 76312110 | 105956 | 0 | None | - | 1 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261144 | 105956 | 0 | None | - | 1 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261144 | 105956 | 0 | None | - | 1 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139691 | 105956 | 0 | None | - | 1 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139691 | 105956 | 0 | None | - | 1 | Guinea pig | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| 10365181 | 18370 | 0 | None | -38 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL127587 | 18370 | 0 | None | -38 | 3 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 44373347 | 119060 | 0 | None | 1 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 349 | 4 | 2 | 3 | 3.8 | C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL346049 | 119060 | 0 | None | 1 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 349 | 4 | 2 | 3 | 3.8 | C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1/C=C/[C@H]1CCC[C@H](C)N1C | 10.1016/0960-894X(94)00459-S | ||
| 137628879 | 160425 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160425 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160425 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160425 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 44457825 | 162642 | 0 | None | -1 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCCC1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL418189 | 162642 | 0 | None | -1 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCCC1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| 11968014 | 12649 | 4 | None | -3 | 9 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm00170a010 | ||
| CHEMBL1187846 | 12649 | 4 | None | -3 | 9 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm00170a010 | ||
| 156015978 | 177748 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 5 | Human | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44457832 | 85196 | 0 | None | -2 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22829 | 85196 | 0 | None | -2 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.8 | CN1CCCC[C@@H]1/C=C/C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 162645430 | 183045 | 0 | None | -1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4744233 | 183045 | 0 | None | -1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802409 | 183045 | 0 | None | -1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 860 | 15 | 2 | 7 | 8.2 | Cc1cc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 162645520 | 183046 | 0 | None | -10 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4742721 | 183046 | 0 | None | -10 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802414 | 183046 | 0 | None | -10 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 44457828 | 161332 | 0 | None | -1 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL415037 | 161332 | 0 | None | -1 | 2 | Rat | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 303 | 2 | 0 | 1 | 4.9 | CN1CCCC[C@H]1CC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 44373093 | 53818 | 0 | None | -2 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 4.9 | C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]21 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL160666 | 53818 | 0 | None | -2 | 2 | Rat | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 4.9 | C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]21 | 10.1016/0960-894X(94)00459-S | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 156016041 | 177672 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 162677513 | 183162 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4789147 | 183162 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| CHEMBL4803695 | 183162 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 983 | 17 | 3 | 11 | 6.2 | CN(C)c1ccc2c(-c3ccc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc3C(=O)[O-])c3ccc(=[N+](C)C)cc-3oc2c1 | 10.1039/d0md00137f | ||
| 156016041 | 177672 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | 1 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 162645520 | 183046 | 0 | None | -10 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4742721 | 183046 | 0 | None | -10 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| CHEMBL4802414 | 183046 | 0 | None | -10 | 5 | Human | 8.4 | pKd | = | 8.4 | Binding | ChEMBL | 1117 | 25 | 4 | 11 | 9.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/C2=[N+]3C(=Cc4ccc(-c5cccs5)n4[B-]3(F)F)C=C2)cc1)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1039/d0md00137f | ||
| 137628879 | 160425 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160425 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160425 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160425 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| 156015807 | 177724 | 0 | None | 3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 10055202 | 11428 | 1 | None | 5 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm100293f | ||
| CHEMBL11805 | 11428 | 1 | None | 5 | 2 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 667 | 27 | 0 | 6 | 7.6 | COc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC | 10.1021/jm100293f | ||
| 10365181 | 18370 | 0 | None | -38 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| CHEMBL127587 | 18370 | 0 | None | -38 | 3 | Rat | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(C/C=C/I)c1ccccc1 | 10.1021/jm00020a004 | ||
| 15038486 | 85341 | 0 | None | -3 | 3 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80534-X | ||
| CHEMBL22923 | 85341 | 0 | None | -3 | 3 | Human | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 237 | 3 | 0 | 3 | 2.4 | C[C@@H]1OC(=O)C[C@H]1C/C=C/[C@H]1CCCCN1C | 10.1016/S0960-894X(00)80534-X | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 44373067 | 51628 | 0 | None | 5 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 431 | 3 | 0 | 4 | 5.8 | C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL158589 | 51628 | 0 | None | 5 | 2 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 431 | 3 | 0 | 4 | 5.8 | C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| 9979830 | 12936 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 298 | 4 | 0 | 2 | 3.0 | C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| 9979830 | 12936 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 298 | 4 | 0 | 2 | 3.0 | C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL1190002 | 12936 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 298 | 4 | 0 | 2 | 3.0 | C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL1190002 | 12936 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 298 | 4 | 0 | 2 | 3.0 | C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL539879 | 12936 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 298 | 4 | 0 | 2 | 3.0 | C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL539879 | 12936 | 0 | None | - | 1 | Guinea pig | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 298 | 4 | 0 | 2 | 3.0 | C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| 156015807 | 177724 | 0 | None | 3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 3 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 156015978 | 177748 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 11957991 | 105960 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| 11957991 | 105960 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261154 | 105960 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261154 | 105960 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139733 | 105960 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139733 | 105960 | 0 | None | - | 1 | Guinea pig | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 315 | 4 | 0 | 2 | 3.4 | C[S+](C)[C@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)OC1 | 10.1007/s00044-006-0143-5 | ||
| 76319430 | 105962 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2262220 | 105962 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139826 | 105962 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@H]1CO[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| 76330179 | 105963 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261145 | 105963 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139827 | 105963 | 0 | None | - | 1 | Guinea pig | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 312 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| 14753637 | 13378 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 330 | 4 | 2 | 5 | 1.3 | CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL1193366 | 13378 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 330 | 4 | 2 | 5 | 1.3 | CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| CHEMBL544759 | 13378 | 0 | None | -1 | 3 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 330 | 4 | 2 | 5 | 1.3 | CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12 | 10.1021/jm00170a010 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80534-X | ||
| 71720488 | 86525 | 0 | None | 2 | 3 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 337 | 3 | 0 | 5 | 2.7 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3Cl)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323441 | 86525 | 0 | None | 2 | 3 | Guinea pig | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 337 | 3 | 0 | 5 | 2.7 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3Cl)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 44457844 | 85388 | 0 | None | 1 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 301 | 2 | 0 | 1 | 5.5 | CN1CCCCC1/C=C/c1c2ccccc2cc2ccccc12 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22962 | 85388 | 0 | None | 1 | 2 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | 301 | 2 | 0 | 1 | 5.5 | CN1CCCCC1/C=C/c1c2ccccc2cc2ccccc12 | 10.1016/S0960-894X(00)80325-X | ||
| 44457834 | 84293 | 0 | None | -1 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.3 | CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL22278 | 84293 | 0 | None | -1 | 2 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 317 | 3 | 0 | 1 | 5.3 | CN1CCCCC1CCC=C1c2ccccc2Cc2ccccc21 | 10.1016/S0960-894X(00)80325-X | ||
| 137628879 | 160425 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160425 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160425 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160425 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 156015153 | 177732 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 5 | Human | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 76308444 | 105957 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| 76308444 | 105957 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL2261149 | 105957 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL2261149 | 105957 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| CHEMBL3139712 | 105957 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-005-0139-6 | ||
| CHEMBL3139712 | 105957 | 0 | None | - | 1 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 315 | 5 | 0 | 2 | 3.4 | C[S+](C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1007/s00044-006-0143-5 | ||
| 71716836 | 86526 | 0 | None | 4 | 3 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 348 | 4 | 0 | 7 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323442 | 86526 | 0 | None | 4 | 3 | Guinea pig | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 348 | 4 | 0 | 7 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 10318189 | 53946 | 0 | None | 9 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 389 | 3 | 0 | 4 | 4.8 | CC(=O)O[C@H]1O[C@@H](C)[C@@H]2[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]3CCCC[C@@H]3C[C@H]12 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL160755 | 53946 | 0 | None | 9 | 2 | Rat | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 389 | 3 | 0 | 4 | 4.8 | CC(=O)O[C@H]1O[C@@H](C)[C@@H]2[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]3CCCC[C@@H]3C[C@H]12 | 10.1016/0960-894X(94)00459-S | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80325-X | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80325-X | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/S0960-894X(00)80325-X | ||
| 44373049 | 52286 | 0 | None | 4 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 4.2 | C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| CHEMBL159237 | 52286 | 0 | None | 4 | 2 | Rat | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 347 | 2 | 1 | 3 | 4.2 | C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/0960-894X(94)00459-S | ||
| 9916852 | 203211 | 0 | None | - | 1 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 606 | 8 | 0 | 9 | 3.4 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL76164 | 203211 | 0 | None | - | 1 | Human | 11.0 | pKi | = | 11 | Binding | ChEMBL | 606 | 8 | 0 | 9 | 3.4 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm401219y | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.7 | pKi | = | 10.7 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 59291417 | 112325 | 0 | None | -1 | 3 | Rat | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 343 | 3 | 1 | 3 | 4.3 | C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298595 | 112325 | 0 | None | -1 | 3 | Rat | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 343 | 3 | 1 | 3 | 4.3 | C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307168 | 112325 | 0 | None | -1 | 3 | Rat | 10.6 | pKi | = | 10.6 | Binding | ChEMBL | 343 | 3 | 1 | 3 | 4.3 | C[N+]12CCC(OC(=O)Nc3ccsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00059a009 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00059a009 | ||
| 71452756 | 79131 | 0 | None | 2 | 4 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114068 | 79131 | 0 | None | 2 | 4 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44378845 | 56862 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 470 | 5 | 0 | 6 | 4.6 | C[C@@H]1CN(C2CCCCC2)CCN1[C@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL164705 | 56862 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 470 | 5 | 0 | 6 | 4.6 | C[C@@H]1CN(C2CCCCC2)CCN1[C@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44378762 | 119423 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 470 | 5 | 0 | 6 | 4.6 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCCCC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL349497 | 119423 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 470 | 5 | 0 | 6 | 4.6 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCCCC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| 44324892 | 111077 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 600 | 6 | 0 | 9 | 4.6 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL328094 | 111077 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 600 | 6 | 0 | 9 | 4.6 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00114a005 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00114a005 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/S0960-894X(97)00143-1 | ||
| 44325018 | 205147 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 638 | 8 | 0 | 9 | 4.8 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL90700 | 205147 | 0 | None | - | 1 | Human | 10.5 | pKi | = | 10.5 | Binding | ChEMBL | 638 | 8 | 0 | 9 | 4.8 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 44378811 | 119596 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@@H](C)C3)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL350956 | 119596 | 0 | None | - | 1 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@@H](C)C3)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 23056 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 318 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 3260 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL12980 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKi | = | 10.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 25005841 | 112322 | 0 | None | -1 | 3 | Rat | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.4 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298599 | 112322 | 0 | None | -1 | 3 | Rat | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.4 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307130 | 112322 | 0 | None | -1 | 3 | Rat | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.4 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 16065402 | 67585 | 0 | None | 1 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2)C1 | 10.1021/jm200884j | ||
| CHEMBL1910848 | 67585 | 0 | None | 1 | 2 | Human | 10.3 | pKi | = | 10.3 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2ccccc2)C1 | 10.1021/jm200884j | ||
| 71454563 | 79246 | 0 | None | 5 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115128 | 79246 | 0 | None | 5 | 4 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 423 | 6 | 0 | 3 | 5.9 | C=C(c1ccc([S@+]([O-])c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 10143956 | 13798 | 0 | None | 1 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL1196359 | 13798 | 0 | None | 1 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| CHEMBL556635 | 13798 | 0 | None | 1 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 470 | 9 | 1 | 5 | 4.7 | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)[C@](O)(c1cccs1)C1CCCC1 | 10.1021/jm900132z | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm200884j | ||
| 155566290 | 176006 | 0 | None | 25 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | 25 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | 25 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155550632 | 175955 | 0 | None | 19 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4540949 | 175955 | 0 | None | 19 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597071 | 175955 | 0 | None | 19 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 845 | 22 | 8 | 10 | 1.9 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155566290 | 176006 | 0 | None | 25 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | 25 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | 25 | 5 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 44343733 | 13321 | 0 | None | - | 1 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 618 | 6 | 0 | 8 | 4.8 | Cc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL119294 | 13321 | 0 | None | - | 1 | Rat | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 618 | 6 | 0 | 8 | 4.8 | Cc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(02)00742-4 | ||
| 9827782 | 103078 | 0 | None | 41 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL308566 | 103078 | 0 | None | 41 | 3 | Human | 10.2 | pKi | = | 10.2 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 15407089 | 205719 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 572 | 6 | 0 | 9 | 3.8 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL94189 | 205719 | 0 | None | - | 1 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 572 | 6 | 0 | 9 | 3.8 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 10457079 | 9935 | 0 | None | -4 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL115078 | 9935 | 0 | None | -4 | 2 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 155566290 | 176006 | 0 | None | 25 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582879 | 176006 | 0 | None | 25 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597498 | 176006 | 0 | None | 25 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 164611865 | 187892 | 0 | None | 15 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856113 | 187892 | 0 | None | 15 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028107 | 187892 | 0 | None | 15 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155525097 | 170383 | 0 | None | 18 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4455570 | 170383 | 0 | None | 18 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 712 | 13 | 1 | 10 | 5.5 | CN1CC=C(c2nsnc2OCCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155567380 | 175834 | 0 | None | 20 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4589047 | 175834 | 0 | None | 20 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596064 | 175834 | 0 | None | 20 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 981 | 20 | 7 | 10 | 4.7 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155521894 | 175851 | 0 | None | 11 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451383 | 175851 | 0 | None | 11 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596183 | 175851 | 0 | None | 11 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155550436 | 175927 | 0 | None | 14 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4569639 | 175927 | 0 | None | 14 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596780 | 175927 | 0 | None | 14 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 852 | 20 | 6 | 10 | 3.6 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 11434515 | 259 | 3 | None | -6 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11519741 | 259 | 3 | None | -6 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 4484 | 259 | 3 | None | -6 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 7449 | 259 | 3 | None | -6 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| CHEMBL1194325 | 259 | 3 | None | -6 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| DB08897 | 259 | 3 | None | -6 | 5 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1021/jm900132z | ||
| 11852298 | 13912 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL1197251 | 13912 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| CHEMBL564057 | 13912 | 0 | None | -1 | 3 | Human | 10.1 | pKi | = | 10.1 | Binding | ChEMBL | 454 | 7 | 1 | 5 | 4.4 | O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 | 10.1021/jm900132z | ||
| 44378875 | 56893 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 605 | 7 | 0 | 8 | 4.6 | COc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL164935 | 56893 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 605 | 7 | 0 | 8 | 4.6 | COc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| 44379051 | 57782 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 667 | 8 | 0 | 8 | 6.4 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL167396 | 57782 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 667 | 8 | 0 | 8 | 6.4 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 10461523 | 119743 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 619 | 6 | 0 | 9 | 4.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3cccc4c3OCO4)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL352291 | 119743 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 619 | 6 | 0 | 9 | 4.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3cccc4c3OCO4)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 44379021 | 119754 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 609 | 6 | 0 | 7 | 5.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL352380 | 119754 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 609 | 6 | 0 | 7 | 5.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm900132z | ||
| 44274333 | 11042 | 0 | None | -5 | 2 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 3.2 | C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 | 10.1021/jm960374w | ||
| CHEMBL1178341 | 11042 | 0 | None | -5 | 2 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 3.2 | C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 | 10.1021/jm960374w | ||
| CHEMBL21812 | 11042 | 0 | None | -5 | 2 | Rat | 10.0 | pKi | = | 10 | Binding | ChEMBL | 358 | 4 | 1 | 3 | 3.2 | C[N+]12CCC(CC1)[C@@H](OC(=O)[C@](O)(c1ccccc1)C1CCCCC1)C2 | 10.1021/jm960374w | ||
| 11431874 | 73932 | 0 | None | 1 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 413 | 9 | 0 | 1 | 6.6 | C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2012.02.015 | ||
| CHEMBL2023762 | 73932 | 0 | None | 1 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 413 | 9 | 0 | 1 | 6.6 | C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2012.02.015 | ||
| CHEMBL2023764 | 73932 | 0 | None | 1 | 3 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 413 | 9 | 0 | 1 | 6.6 | C=CCCCC[N+]1(C)C2CCC1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2012.02.015 | ||
| 155566290 | 176006 | 0 | None | 25 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4582879 | 176006 | 0 | None | 25 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4597498 | 176006 | 0 | None | 25 | 5 | Human | 10.0 | pKi | = | 10 | Binding | ChEMBL | 916 | 24 | 9 | 11 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164622681 | 187977 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864727 | 187977 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028712 | 187977 | 0 | None | 7 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164616463 | 187929 | 0 | None | 14 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4859378 | 187929 | 0 | None | 14 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028381 | 187929 | 0 | None | 14 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 860 | 22 | 9 | 12 | 0.9 | C[C@H](NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN | 10.1016/j.ejmech.2021.113159 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 9827782 | 103078 | 0 | None | 41 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL308566 | 103078 | 0 | None | 41 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 9827782 | 103078 | 0 | None | 41 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL308566 | 103078 | 0 | None | 41 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 15453419 | 205728 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 590 | 7 | 0 | 8 | 5.5 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL94247 | 205728 | 0 | None | - | 1 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 590 | 7 | 0 | 8 | 5.5 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 9827782 | 103078 | 0 | None | 41 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL308566 | 103078 | 0 | None | 41 | 3 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 512 | 7 | 0 | 6 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 140844407 | 176058 | 0 | None | 4 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 490 | 8 | 1 | 3 | 5.4 | O=C(OC1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4519930 | 176058 | 0 | None | 4 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 490 | 8 | 1 | 3 | 5.4 | O=C(OC1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597916 | 176058 | 0 | None | 4 | 2 | Human | 10.0 | pKi | = | 10.0 | Binding | ChEMBL | 490 | 8 | 1 | 3 | 5.4 | O=C(OC1C[N+]2(CCCc3ccc(Cl)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 155539713 | 175786 | 0 | None | 20 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4515788 | 175786 | 0 | None | 20 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595691 | 175786 | 0 | None | 20 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44431393 | 87596 | 0 | None | 1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234440 | 87596 | 0 | None | 1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 59291241 | 112317 | 0 | None | -2 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.7 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298596 | 112317 | 0 | None | -2 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.7 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307116 | 112317 | 0 | None | -2 | 3 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.7 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccccc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 9809330 | 115499 | 0 | None | 8 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| CHEMBL335542 | 115499 | 0 | None | 8 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 552 | 16 | 0 | 13 | 2.3 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm0301235 | ||
| 15407088 | 205265 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 528 | 6 | 0 | 8 | 3.8 | CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL91404 | 205265 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 528 | 6 | 0 | 8 | 3.8 | CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 44292486 | 180929 | 0 | None | - | 1 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL47650 | 180929 | 0 | None | - | 1 | Rat | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| 16065403 | 67593 | 16 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| CHEMBL1910856 | 67593 | 16 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 444 | 9 | 2 | 4 | 4.5 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(Oc2cccc(O)c2)C1 | 10.1021/jm200884j | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 44610056 | 123473 | 0 | None | 1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| CHEMBL3629360 | 123473 | 0 | None | 1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 704 | 14 | 5 | 9 | 5.5 | O=c1ccc2c([C@@H](O)CNCCc3ccc(CCN4CCC(Cn5cnc([C@](O)(c6ccccc6)C6CCCCC6)n5)CC4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2015.10.008 | ||
| 10274019 | 202548 | 0 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71124 | 202548 | 0 | None | -1 | 5 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 425 | 6 | 0 | 3 | 6.0 | COc1ccc([S+]([O-])c2ccc(C(C)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44378846 | 56872 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@H](C)C3)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL164762 | 56872 | 0 | None | - | 1 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)[C@H](C)C3)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 164622945 | 187980 | 0 | None | 6 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871700 | 187980 | 0 | None | 6 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028723 | 187980 | 0 | None | 6 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | ChEMBL | 646 | 14 | 6 | 7 | 3.6 | N=C(N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| 155523648 | 176019 | 0 | None | 5 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4454300 | 176019 | 0 | None | 5 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597576 | 176019 | 0 | None | 5 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 909 | 18 | 6 | 9 | 5.2 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 15463388 | 165139 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL424530 | 165139 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 49800047 | 14334 | 1 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201024 | 14334 | 1 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| CHEMBL1201268 | 14334 | 1 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21 | nan | ||
| 367 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| 5487427 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| 8592 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1900528 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305968 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL4650755 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| DB01409 | 3764 | 8 | None | -22 | 8 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2014.04.031 | ||
| 11519069 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 11519070 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 4816 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 7354 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| CHEMBL1187833 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| DB09076 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm801601v | ||
| 164615275 | 187923 | 0 | None | 8 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4861252 | 187923 | 0 | None | 8 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028304 | 187923 | 0 | None | 8 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 859 | 20 | 9 | 11 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.1c00204 | ||
| 25195533 | 77983 | 1 | None | -2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2103803 | 77983 | 1 | None | -2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL2110584 | 77983 | 1 | None | -2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 9984928 | 202977 | 0 | None | 199 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 546 | 8 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL73893 | 202977 | 0 | None | 199 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 546 | 8 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44325048 | 111069 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 558 | 7 | 0 | 8 | 4.1 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL328059 | 111069 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 558 | 7 | 0 | 8 | 4.1 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 9984928 | 202977 | 0 | None | 199 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 546 | 8 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL73893 | 202977 | 0 | None | 199 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 546 | 8 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44379026 | 119796 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 467 | 6 | 0 | 6 | 4.4 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL352739 | 119796 | 0 | None | - | 1 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 467 | 6 | 0 | 6 | 4.4 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 14537188 | 136023 | 0 | None | 1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL37372 | 136023 | 0 | None | 1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 9867847 | 202555 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71147 | 202555 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 9867847 | 202555 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL71147 | 202555 | 0 | None | 1 | 4 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 439 | 6 | 0 | 4 | 5.6 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 25195533 | 77983 | 1 | None | -2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm900736e | ||
| CHEMBL2103803 | 77983 | 1 | None | -2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm900736e | ||
| CHEMBL2110584 | 77983 | 1 | None | -2 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 345 | 4 | 0 | 1 | 4.9 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm900736e | ||
| 155556290 | 175882 | 0 | None | 7 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4554682 | 175882 | 0 | None | 7 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596434 | 175882 | 0 | None | 7 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 923 | 22 | 7 | 11 | 3.1 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44337753 | 108514 | 0 | None | - | 1 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 351 | 4 | 1 | 4 | 2.9 | CN1CC2CC1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| CHEMBL321214 | 108514 | 0 | None | - | 1 | Rat | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 351 | 4 | 1 | 4 | 2.9 | CN1CC2CC1C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm00115a003 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm061374r | ||
| 164626501 | 188011 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874955 | 188011 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028936 | 188011 | 0 | None | 7 | 3 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(=N)N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm2013216 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm901048j | ||
| 140844416 | 176032 | 0 | None | 12 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 524 | 8 | 1 | 3 | 5.7 | O=C(OC1C[N+]2(CCCc3ccc(C(F)(F)F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4516342 | 176032 | 0 | None | 12 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 524 | 8 | 1 | 3 | 5.7 | O=C(OC1C[N+]2(CCCc3ccc(C(F)(F)F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597717 | 176032 | 0 | None | 12 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 524 | 8 | 1 | 3 | 5.7 | O=C(OC1C[N+]2(CCCc3ccc(C(F)(F)F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 23056 | 112 | 26 | None | -5 | 7 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00010a016 | ||
| 318 | 112 | 26 | None | -5 | 7 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00010a016 | ||
| 3260 | 112 | 26 | None | -5 | 7 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00010a016 | ||
| CHEMBL12980 | 112 | 26 | None | -5 | 7 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 10.1021/jm00010a016 | ||
| 156014450 | 177676 | 0 | None | 2 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636083 | 177676 | 0 | None | 2 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650652 | 177676 | 0 | None | 2 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 518 | 9 | 2 | 6 | 3.4 | NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 164617895 | 187940 | 0 | None | 41 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852868 | 187940 | 0 | None | 41 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028466 | 187940 | 0 | None | 41 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 931 | 24 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164627113 | 188017 | 0 | None | 13 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4878646 | 188017 | 0 | None | 13 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028981 | 188017 | 0 | None | 13 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 489 | 7 | 2 | 5 | 4.2 | NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164611189 | 187887 | 0 | None | 2 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4851514 | 187887 | 0 | None | 2 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028061 | 187887 | 0 | None | 2 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 944 | 24 | 11 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164614083 | 187907 | 0 | None | 4 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4855492 | 187907 | 0 | None | 4 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028231 | 187907 | 0 | None | 4 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015648 | 177740 | 0 | None | 8 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1021 | 18 | 5 | 12 | 5.5 | NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641328 | 177740 | 0 | None | 8 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1021 | 18 | 5 | 12 | 5.5 | NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651078 | 177740 | 0 | None | 8 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1021 | 18 | 5 | 12 | 5.5 | NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL5074599 | 212548 | 0 | None | -2 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | None | None | None | COc1ccc([C@H](Cc2c(Cl)c[n+]([O-])cc2Cl)OC(=O)c2ccc(CNC(C(=O)O[C@H]3CN4CCC3CC4)c3ccccc3)s2)cc1OC | 10.1021/acs.jmedchem.1c00204 | ||||
| 9937474 | 169902 | 0 | None | 363 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4448933 | 169902 | 0 | None | 363 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 9937474 | 169902 | 0 | None | 363 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4448933 | 169902 | 0 | None | 363 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 551 | 6 | 1 | 5 | 5.3 | Nc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44378842 | 57122 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 577 | 8 | 0 | 8 | 3.5 | CCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL165375 | 57122 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 577 | 8 | 0 | 8 | 3.5 | CCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44378601 | 168018 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 591 | 9 | 0 | 8 | 3.9 | CCCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL435849 | 168018 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 591 | 9 | 0 | 8 | 3.9 | CCCCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| 15407074 | 57123 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.9 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL165377 | 57123 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.9 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| 44379050 | 160961 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 709 | 9 | 0 | 9 | 6.0 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3COC(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL412814 | 160961 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 709 | 9 | 0 | 9 | 6.0 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3COC(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 10109130 | 132494 | 0 | None | -6 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL370232 | 132494 | 0 | None | -6 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2cccs2)c2cccs2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 9894236 | 59913 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 568 | 6 | 0 | 8 | 4.8 | Cc1ccsc1C(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL174070 | 59913 | 0 | None | - | 1 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 568 | 6 | 0 | 8 | 4.8 | Cc1ccsc1C(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 15392110 | 105006 | 0 | None | 6 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 412 | 5 | 0 | 4 | 4.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL312085 | 105006 | 0 | None | 6 | 2 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 412 | 5 | 0 | 4 | 4.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 164618444 | 187944 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852186 | 187944 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028499 | 187944 | 0 | None | 9 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 873 | 21 | 9 | 11 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164625454 | 188006 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862735 | 188006 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028885 | 188006 | 0 | None | 3 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1001 | 26 | 12 | 13 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 11798681 | 11045 | 0 | None | -20 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 4 | 1 | 3 | 3.2 | C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 | 10.1021/jm960374w | ||
| CHEMBL1178344 | 11045 | 0 | None | -20 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 4 | 1 | 3 | 3.2 | C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 | 10.1021/jm960374w | ||
| CHEMBL21905 | 11045 | 0 | None | -20 | 2 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 346 | 4 | 1 | 3 | 3.2 | C[N+]1(C)CCC(OC(=O)[C@](O)(c2ccccc2)C2CCCCC2)CC1 | 10.1021/jm960374w | ||
| 59291493 | 112324 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 3.9 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298600 | 112324 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 3.9 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307158 | 112324 | 0 | None | -2 | 3 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 362 | 3 | 1 | 4 | 3.9 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3ccc(F)cc3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 164627445 | 188022 | 0 | None | 14 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876453 | 188022 | 0 | None | 14 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028997 | 188022 | 0 | None | 14 | 5 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 831 | 21 | 8 | 11 | 1.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164628529 | 188029 | 0 | None | 5 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876725 | 188029 | 0 | None | 5 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029058 | 188029 | 0 | None | 5 | 3 | Human | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 914 | 17 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| 10101246 | 9455 | 0 | None | -81 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | -81 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 164624669 | 188001 | 0 | None | 3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4870127 | 188001 | 0 | None | 3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028837 | 188001 | 0 | None | 3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 674 | 15 | 6 | 8 | 2.1 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| 164624066 | 187995 | 0 | None | 3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864987 | 187995 | 0 | None | 3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028806 | 187995 | 0 | None | 3 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 787 | 18 | 7 | 10 | 1.8 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155560305 | 175679 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4568151 | 175679 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4594890 | 175679 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 801 | 19 | 5 | 9 | 2.8 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 164610746 | 187883 | 0 | None | 34 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854886 | 187883 | 0 | None | 34 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028038 | 187883 | 0 | None | 34 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164621305 | 187967 | 0 | None | 29 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863285 | 187967 | 0 | None | 29 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028642 | 187967 | 0 | None | 29 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015900 | 177746 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643273 | 177746 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651104 | 177746 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1687 | 34 | 6 | 18 | 11.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)c3)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 10324012 | 203000 | 0 | None | 263 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL74117 | 203000 | 0 | None | 263 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 10324012 | 203000 | 0 | None | 263 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL74117 | 203000 | 0 | None | 263 | 2 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 508 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C3CC3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 132947 | 3803 | 8 | None | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| 361 | 3803 | 8 | None | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL265256 | 3803 | 8 | None | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/s0960-894x(01)00186-x | ||
| 155519740 | 169838 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4448108 | 169838 | 0 | None | 5 | 5 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1125 | 29 | 4 | 14 | 9.6 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.8b01967 | ||
| 156015724 | 177699 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1302 | 29 | 7 | 15 | 8.1 | NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643159 | 177699 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1302 | 29 | 7 | 15 | 8.1 | NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650839 | 177699 | 0 | None | - | 1 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1302 | 29 | 7 | 15 | 8.1 | NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| 164610955 | 187885 | 0 | None | 15 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858398 | 187885 | 0 | None | 15 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028048 | 187885 | 0 | None | 15 | 3 | Human | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 661 | 15 | 6 | 8 | 2.3 | N=C(N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1)C(=O)O | 10.1016/j.ejmech.2021.113159 | ||
| 132947 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| 361 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| CHEMBL265256 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00075a032 | ||
| 164619001 | 187951 | 0 | None | 3 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871153 | 187951 | 0 | None | 3 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028529 | 187951 | 0 | None | 3 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 887 | 22 | 9 | 11 | 2.3 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 132947 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| 361 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| CHEMBL265256 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm00046a021 | ||
| 44311771 | 163680 | 0 | None | 34 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL421113 | 163680 | 0 | None | 34 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311771 | 163680 | 0 | None | 34 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL421113 | 163680 | 0 | None | 34 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311771 | 163680 | 0 | None | 34 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL421113 | 163680 | 0 | None | 34 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 546 | 9 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 164628352 | 188028 | 0 | None | 9 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4878717 | 188028 | 0 | None | 9 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029051 | 188028 | 0 | None | 9 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 630 | 13 | 5 | 6 | 4.0 | N=C(N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44312007 | 168599 | 0 | None | 34 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 8 | 0 | 6 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL440491 | 168599 | 0 | None | 34 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 8 | 0 | 6 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44312007 | 168599 | 0 | None | 34 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 8 | 0 | 6 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL440491 | 168599 | 0 | None | 34 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 8 | 0 | 6 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCC(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 15463387 | 56241 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL163777 | 56241 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 456 | 6 | 0 | 5 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44378810 | 57130 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.4 | COc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL165439 | 57130 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.4 | COc1ccc(S(=O)(=O)c2ccc(CN3CCN(C4CCCCC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44378876 | 57828 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 615 | 6 | 0 | 8 | 5.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3sccc3Cl)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL167816 | 57828 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 615 | 6 | 0 | 8 | 5.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3sccc3Cl)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 44378952 | 119395 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL349142 | 119395 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 132947 | 3803 | 8 | None | 1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/j.bmc.2008.06.025 | ||
| 361 | 3803 | 8 | None | 1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL265256 | 3803 | 8 | None | 1 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1016/j.bmc.2008.06.025 | ||
| 132947 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| 361 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| CHEMBL265256 | 3803 | 8 | None | -1 | 9 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 10.1021/jm981038d | ||
| 164612662 | 187898 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4847898 | 187898 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028154 | 187898 | 0 | None | 2 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 845 | 20 | 8 | 11 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44292836 | 100847 | 0 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.1 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL296633 | 100847 | 0 | None | - | 1 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.1 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCF)cc1 | 10.1021/jm00010a016 | ||
| 372625 | 100678 | 10 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL295388 | 100678 | 10 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164613559 | 187902 | 0 | None | 38 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856659 | 187902 | 0 | None | 38 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028196 | 187902 | 0 | None | 38 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 874 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 372625 | 100678 | 10 | None | -1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL295388 | 100678 | 10 | None | -1 | 5 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 462 | 9 | 1 | 4 | 5.1 | CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmcl.2008.03.024 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 164619973 | 187956 | 0 | None | 33 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862996 | 187956 | 0 | None | 33 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028571 | 187956 | 0 | None | 33 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 902 | 23 | 9 | 12 | 1.0 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00108a030 | ||
| 44311784 | 202774 | 0 | None | 28 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 9 | 0 | 6 | 5.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72408 | 202774 | 0 | None | 28 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 9 | 0 | 6 | 5.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| 260 | 519 | 46 | None | -1 | 14 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| 320 | 519 | 46 | None | -1 | 14 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Mouse | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| 44311784 | 202774 | 0 | None | 28 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 9 | 0 | 6 | 5.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72408 | 202774 | 0 | None | 28 | 2 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 540 | 9 | 0 | 6 | 5.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| 164617401 | 187935 | 0 | None | 12 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852646 | 187935 | 0 | None | 12 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028427 | 187935 | 0 | None | 12 | 3 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 900 | 16 | 9 | 12 | -0.2 | CC(=O)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@@H]1CC(=O)NCCC[C@@H](C(=O)NCCN2CCN(CCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)N1 | 10.1016/j.ejmech.2021.113159 | ||
| 155543944 | 175760 | 0 | None | 8 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4567026 | 175760 | 0 | None | 8 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595467 | 175760 | 0 | None | 8 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 873 | 21 | 6 | 10 | 2.3 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44311717 | 202784 | 0 | None | 102 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 8 | 0 | 6 | 5.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72494 | 202784 | 0 | None | 102 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 8 | 0 | 6 | 5.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311717 | 202784 | 0 | None | 102 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 8 | 0 | 6 | 5.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72494 | 202784 | 0 | None | 102 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 580 | 8 | 0 | 6 | 5.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 155535606 | 171486 | 0 | None | 4 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4471882 | 171486 | 0 | None | 4 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1077 | 20 | 5 | 12 | 6.0 | CCC(=O)NCc1cc(C(=O)NCCN2CCC(N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)cc(C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)CC2)c1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9953227 | 202496 | 0 | None | 11 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 407 | 6 | 0 | 3 | 6.9 | C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL70828 | 202496 | 0 | None | 11 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 407 | 6 | 0 | 3 | 6.9 | C=C(c1ccc(Sc2ccc(OC)cc2)cc1)C1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00437-6 | ||
| 10628017 | 21516 | 0 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131865 | 21516 | 0 | None | 1 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 650 | 26 | 3 | 7 | 7.0 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 44311718 | 202766 | 0 | None | 151 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 560 | 10 | 0 | 6 | 4.8 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72363 | 202766 | 0 | None | 151 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 560 | 10 | 0 | 6 | 4.8 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311760 | 202794 | 0 | None | 109 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72551 | 202794 | 0 | None | 109 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44292858 | 100877 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 3.5 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCCF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL296895 | 100877 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 397 | 7 | 1 | 4 | 3.5 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CCCF)cc1 | 10.1021/jm00010a016 | ||
| 44311718 | 202766 | 0 | None | 151 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 560 | 10 | 0 | 6 | 4.8 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72363 | 202766 | 0 | None | 151 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 560 | 10 | 0 | 6 | 4.8 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311760 | 202794 | 0 | None | 109 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72551 | 202794 | 0 | None | 109 | 3 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 510 | 8 | 0 | 5 | 5.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 164623076 | 187982 | 0 | None | 17 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872608 | 187982 | 0 | None | 17 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028732 | 187982 | 0 | None | 17 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 888 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 939077 | 193398 | 2 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| CHEMBL549577 | 193398 | 2 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| 9809222 | 113594 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 619 | 7 | 1 | 8 | 4.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(C)c6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL332703 | 113594 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 619 | 7 | 1 | 8 | 4.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(C)c6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 44378764 | 56950 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 559 | 6 | 0 | 5 | 5.5 | Cc1cccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL165035 | 56950 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 559 | 6 | 0 | 5 | 5.5 | Cc1cccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c1 | 10.1016/s0960-894x(02)00024-0 | ||
| 10291977 | 72553 | 0 | None | -5 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2ccsc2)c2ccsc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200401 | 72553 | 0 | None | -5 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 359 | 3 | 1 | 5 | 3.2 | CO[C@]1(C#CC(O)(c2ccsc2)c2ccsc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44344122 | 109928 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 619 | 7 | 1 | 8 | 4.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(N)c6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL324484 | 109928 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 619 | 7 | 1 | 8 | 4.6 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(N)c6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 15870384 | 58925 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 576 | 6 | 0 | 7 | 5.0 | Cc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL170298 | 58925 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 576 | 6 | 0 | 7 | 5.0 | Cc1cccc(C(=O)N2CCC(N3CCC(Oc4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CC3)CC2)c1C | 10.1016/s0960-894x(01)00100-7 | ||
| 134272442 | 175914 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 4.9 | O=C(OC1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4457734 | 175914 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 4.9 | O=C(OC1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596671 | 175914 | 0 | None | 1 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 474 | 8 | 1 | 4 | 4.9 | O=C(OC1C[N+]2(CCSc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 44312024 | 202855 | 0 | None | 36 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 526 | 7 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72957 | 202855 | 0 | None | 36 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 526 | 7 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 44312024 | 202855 | 0 | None | 36 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 526 | 7 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72957 | 202855 | 0 | None | 36 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 526 | 7 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 155554568 | 176035 | 0 | None | 5 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4548432 | 176035 | 0 | None | 5 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597724 | 176035 | 0 | None | 5 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 702 | 14 | 4 | 8 | 2.6 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 6604314 | 30763 | 3 | None | -3 | 2 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm960374w | ||
| CHEMBL1398637 | 30763 | 3 | None | -3 | 2 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 352 | 4 | 1 | 3 | 2.7 | C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2 | 10.1021/jm960374w | ||
| 11434515 | 259 | 3 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmc.2019.06.016 | ||
| 11519741 | 259 | 3 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmc.2019.06.016 | ||
| 4484 | 259 | 3 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmc.2019.06.016 | ||
| 7449 | 259 | 3 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL1194325 | 259 | 3 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmc.2019.06.016 | ||
| DB08897 | 259 | 3 | None | -6 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | 10.1016/j.bmc.2019.06.016 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 11766733 | 155213 | 0 | None | -2 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202003 | 155213 | 0 | None | -2 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL405739 | 155213 | 0 | None | -2 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 1121 | 29 | 4 | 10 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 44344164 | 10883 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 623 | 7 | 1 | 8 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)cc6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL117351 | 10883 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 623 | 7 | 1 | 8 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)cc6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 44311823 | 202503 | 0 | None | 23 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 574 | 8 | 0 | 6 | 6.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL70860 | 202503 | 0 | None | 23 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 574 | 8 | 0 | 6 | 6.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311823 | 202503 | 0 | None | 23 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 574 | 8 | 0 | 6 | 6.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL70860 | 202503 | 0 | None | 23 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 574 | 8 | 0 | 6 | 6.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 688520 | 35187 | 3 | None | 4 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmc.2014.04.029 | ||
| CHEMBL1437876 | 35187 | 3 | None | 4 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmc.2014.04.029 | ||
| CHEMBL3289390 | 35187 | 3 | None | 4 | 2 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmc.2014.04.029 | ||
| 44311987 | 202896 | 0 | None | 162 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 532 | 8 | 0 | 6 | 4.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL73245 | 202896 | 0 | None | 162 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 532 | 8 | 0 | 6 | 4.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 59291402 | 112289 | 0 | None | -8 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298588 | 112289 | 0 | None | -8 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305766 | 112289 | 0 | None | -8 | 3 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44311987 | 202896 | 0 | None | 162 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 532 | 8 | 0 | 6 | 4.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL73245 | 202896 | 0 | None | 162 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 532 | 8 | 0 | 6 | 4.1 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 16116083 | 12190 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184884 | 12190 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375969 | 12190 | 0 | None | -1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 129486 | 99692 | 6 | None | -5 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2 | 10.1021/jm00108a030 | ||
| CHEMBL287868 | 99692 | 6 | None | -5 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 349 | 4 | 0 | 3 | 4.0 | CN1CC2CC(OC(=O)C(C)(c3ccccc3)c3ccccc3)CC1C2 | 10.1021/jm00108a030 | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm200884j | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1016/j.bmc.2019.06.016 | ||
| 155520948 | 175855 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 474 | 8 | 1 | 3 | 4.8 | O=C(OC1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4450188 | 175855 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 474 | 8 | 1 | 3 | 4.8 | O=C(OC1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596191 | 175855 | 0 | None | 3 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 474 | 8 | 1 | 3 | 4.8 | O=C(OC1C[N+]2(CCCc3ccc(F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 44379040 | 119607 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 590 | 6 | 1 | 8 | 4.2 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3N)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL351079 | 119607 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 590 | 6 | 1 | 8 | 4.2 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3N)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 9851621 | 58867 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 598 | 6 | 0 | 7 | 5.5 | O=C(c1cccc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL170033 | 58867 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 598 | 6 | 0 | 7 | 5.5 | O=C(c1cccc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 44382606 | 120282 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 599 | 6 | 0 | 8 | 4.9 | O=C(c1cccc2ncccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL355511 | 120282 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 599 | 6 | 0 | 8 | 4.9 | O=C(c1cccc2ncccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 44232952 | 102908 | 0 | None | -10 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084650 | 102908 | 0 | None | -10 | 3 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 330 | 4 | 0 | 2 | 4.8 | CN1[C@H]2CC[C@@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10009554 | 203005 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1021/jm0255163 | ||
| CHEMBL74141 | 203005 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 6.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccc(F)c7ccccc67)CC5)CC4)OCCO3)cc2)cc1 | 10.1021/jm0255163 | ||
| 44215377 | 11986 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 623 | 7 | 1 | 8 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(F)c6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL118391 | 11986 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 623 | 7 | 1 | 8 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(F)c6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.9b02172 | ||
| 156015807 | 177724 | 0 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641726 | 177724 | 0 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650973 | 177724 | 0 | None | 3 | 5 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 1185 | 25 | 3 | 12 | 9.5 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44344216 | 13119 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 639 | 7 | 1 | 8 | 5.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cc(N)ccc6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL119131 | 13119 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 639 | 7 | 1 | 8 | 5.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cc(N)ccc6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 44344106 | 112573 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 639 | 7 | 1 | 8 | 5.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(N)c6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL331214 | 112573 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 639 | 7 | 1 | 8 | 5.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(N)c6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 44343862 | 10411 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 604 | 7 | 0 | 7 | 5.1 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL116777 | 10411 | 0 | None | - | 1 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 604 | 7 | 0 | 7 | 5.1 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 10771937 | 21493 | 0 | None | 2 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL1202004 | 21493 | 0 | None | 2 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| CHEMBL131846 | 21493 | 0 | None | 2 | 5 | Rat | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 871 | 27 | 4 | 8 | 9.4 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1021/jm981038d | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 164616706 | 187930 | 0 | None | 6 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4850130 | 187930 | 0 | None | 6 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028391 | 187930 | 0 | None | 6 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 660 | 14 | 6 | 8 | 1.7 | N=C(N)NCCC[C@@H](N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015042 | 177659 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 571 | 12 | 3 | 7 | 3.7 | NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4645845 | 177659 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 571 | 12 | 3 | 7 | 3.7 | NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650549 | 177659 | 0 | None | -1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 571 | 12 | 3 | 7 | 3.7 | NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.9b02172 | ||
| 44311785 | 203030 | 0 | None | 69 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 526 | 8 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL74352 | 203030 | 0 | None | 69 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 526 | 8 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311785 | 203030 | 0 | None | 69 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 526 | 8 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL74352 | 203030 | 0 | None | 69 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 526 | 8 | 0 | 6 | 5.3 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OCCC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44312451 | 104307 | 0 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL310912 | 104307 | 0 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 15407073 | 119455 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 575 | 6 | 0 | 7 | 4.6 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL349720 | 119455 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 575 | 6 | 0 | 7 | 4.6 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 44379055 | 120006 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 605 | 8 | 0 | 7 | 5.2 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL354534 | 120006 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 605 | 8 | 0 | 7 | 5.2 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1 | 10.1016/s0960-894x(02)00024-0 | ||
| 44312451 | 104307 | 0 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL310912 | 104307 | 0 | None | 10 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 442 | 6 | 0 | 5 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44312450 | 203128 | 0 | None | 13 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 5 | 0 | 4 | 5.2 | CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL75448 | 203128 | 0 | None | 13 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 5 | 0 | 4 | 5.2 | CC(c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/np50094a001 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/np50094a001 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/np50094a001 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/np50094a001 | ||
| 156015978 | 177748 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636899 | 177748 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651111 | 177748 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 1968 | 45 | 8 | 21 | 14.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 25006208 | 112327 | 0 | None | -5 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 5.0 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298763 | 112327 | 0 | None | -5 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 5.0 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307197 | 112327 | 0 | None | -5 | 3 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 5.0 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cc(Cl)cc(Cl)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44431384 | 148328 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL394137 | 148328 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44344145 | 10913 | 0 | None | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 623 | 7 | 1 | 8 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cc(F)ccc6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL117414 | 10913 | 0 | None | - | 1 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 623 | 7 | 1 | 8 | 4.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cc(F)ccc6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 56667296 | 176067 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4461243 | 176067 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597972 | 176067 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 472 | 9 | 1 | 4 | 4.5 | O=C(OC1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 10470 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2014.04.029 | ||
| 1689 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2014.04.029 | ||
| 4057 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2014.04.029 | ||
| CHEMBL524004 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2014.04.029 | ||
| DB04843 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2014.04.029 | ||
| 155512178 | 175915 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 8 | 1 | 3 | 4.8 | O=C(OC1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4436930 | 175915 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 8 | 1 | 3 | 4.8 | O=C(OC1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596672 | 175915 | 0 | None | 1 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 474 | 8 | 1 | 3 | 4.8 | O=C(OC1C[N+]2(CCCc3cccc(F)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 174174 | 519 | 46 | None | -1 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| 260 | 519 | 46 | None | -1 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| 320 | 519 | 46 | None | -1 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| CHEMBL517712 | 519 | 46 | None | -1 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| DB00572 | 519 | 46 | None | -1 | 14 | Mouse | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00095a008 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 10393100 | 56237 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 563 | 7 | 0 | 8 | 3.1 | CCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL163714 | 56237 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 563 | 7 | 0 | 8 | 3.1 | CCS(=O)(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44267748 | 12826 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 516 | 7 | 0 | 5 | 5.7 | COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11892 | 12826 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 516 | 7 | 0 | 5 | 5.7 | COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 137628879 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 137628879 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4068393 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4079233 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4115977 | 160425 | 0 | None | 1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 950 | 16 | 3 | 9 | 8.1 | CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)C1 | 10.1021/acs.jmedchem.6b01892 | ||
| 44324655 | 167576 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 7 | 0 | 8 | 4.5 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL433011 | 167576 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 572 | 7 | 0 | 8 | 4.5 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 44343761 | 110804 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 638 | 7 | 0 | 7 | 5.7 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(Cl)c6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL326561 | 110804 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 638 | 7 | 0 | 7 | 5.7 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(Cl)c6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 134272452 | 176100 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(OC1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4448944 | 176100 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(OC1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4598232 | 176100 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(OC1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 11223598 | 106043 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 330 | 3 | 0 | 2 | 5.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2 | 10.1021/jm900736e | ||
| CHEMBL3084413 | 106043 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 330 | 3 | 0 | 2 | 5.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2 | 10.1021/jm900736e | ||
| CHEMBL3140264 | 106043 | 0 | None | -2 | 3 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 330 | 3 | 0 | 2 | 5.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C=C(c1cccs1)c1cccs1)C2 | 10.1021/jm900736e | ||
| 16125331 | 136439 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 440 | 7 | 1 | 1 | 4.8 | C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL374452 | 136439 | 0 | None | -1 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 440 | 7 | 1 | 1 | 4.8 | C[N+]1(CCCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00059a009 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00114a005 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 16115945 | 12191 | 0 | None | -9 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184886 | 12191 | 0 | None | -9 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376057 | 12191 | 0 | None | -9 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 303 | 2930 | 16 | None | 1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 4629 | 2930 | 16 | None | 1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 8595 | 2930 | 16 | None | 1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL44674 | 2930 | 16 | None | 1 | 6 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 44344132 | 109871 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 605 | 7 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(N)c6)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL324116 | 109871 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 605 | 7 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(N)c6)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 25897919 | 55363 | 11 | None | -4 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 657309 | 55363 | 11 | None | -4 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1464005 | 55363 | 11 | None | -4 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1621597 | 55363 | 11 | None | -4 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 9946298 | 72482 | 0 | None | -3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200171 | 72482 | 0 | None | -3 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 10291366 | 140168 | 0 | None | -4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL381623 | 140168 | 0 | None | -4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/acs.jmedchem.1c00204 | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/acs.jmedchem.1c00204 | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/acs.jmedchem.1c00204 | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/acs.jmedchem.1c00204 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1016/j.ejmech.2021.113159 | ||
| 156016041 | 177672 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4644612 | 177672 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650627 | 177672 | 0 | None | 1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1238 | 28 | 4 | 13 | 9.9 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 10291366 | 140168 | 0 | None | -4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL381623 | 140168 | 0 | None | -4 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 456615 | 102273 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL305026 | 102273 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 44378689 | 56231 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 611 | 7 | 0 | 8 | 4.2 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL163658 | 56231 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 611 | 7 | 0 | 8 | 4.2 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| 44378958 | 9159 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL110744 | 9159 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 456615 | 102273 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL305026 | 102273 | 1 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| 44312083 | 202782 | 0 | None | 13 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 5 | 0 | 4 | 4.8 | Cc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL72455 | 202782 | 0 | None | 13 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 426 | 5 | 0 | 4 | 4.8 | Cc1ccc(S(=O)(=O)c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 59291259 | 111981 | 1 | None | -3 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.6 | O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298591 | 111981 | 1 | None | -3 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.6 | O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 10919522 | 78508 | 0 | None | -3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | ||
| CHEMBL2112957 | 78508 | 0 | None | -3 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 688 | 11 | 1 | 4 | 6.8 | O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm010480k | ||
| 44325017 | 205130 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 622 | 8 | 0 | 8 | 5.1 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL90638 | 205130 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 622 | 8 | 0 | 8 | 5.1 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)SCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 59291413 | 112290 | 0 | None | -4 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298589 | 112290 | 0 | None | -4 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305767 | 112290 | 0 | None | -4 | 3 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44325047 | 205531 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 8 | 0 | 8 | 3.7 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL93017 | 205531 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 590 | 8 | 0 | 8 | 3.7 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 16115947 | 11744 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182214 | 11744 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL222259 | 11744 | 0 | None | -1 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 164620907 | 187963 | 0 | None | 47 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4865939 | 187963 | 0 | None | 47 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028619 | 187963 | 0 | None | 47 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10474247 | 100934 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL297276 | 100934 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| 44344078 | 110282 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 636 | 7 | 0 | 7 | 6.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)SCCS3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL326057 | 110282 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 636 | 7 | 0 | 7 | 6.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)SCCS3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 9894173 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL12098 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1016/j.bmcl.2004.01.033 | ||
| 10163651 | 162682 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL418446 | 162682 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 9894173 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12098 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1016/s0960-894x(02)00096-3 | ||
| 9894173 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm0255163 | ||
| CHEMBL12098 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm0255163 | ||
| 10163651 | 162682 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL418446 | 162682 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| 9894173 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | ||
| CHEMBL12098 | 14981 | 2 | None | 69 | 5 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)CC2)c1N | 10.1021/jm301774u | ||
| 15407073 | 119455 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 575 | 6 | 0 | 7 | 4.6 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL349720 | 119455 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 575 | 6 | 0 | 7 | 4.6 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| 44267782 | 98068 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL276239 | 98068 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44267782 | 98068 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1021/jm0255163 | ||
| CHEMBL276239 | 98068 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1021/jm0255163 | ||
| 20689406 | 110873 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 8 | 1 | 8 | 4.8 | CNc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL326990 | 110873 | 0 | None | - | 1 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 619 | 8 | 1 | 8 | 4.8 | CNc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1 | 10.1016/s0960-894x(02)00742-4 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmcl.2018.12.022 | ||
| 134272503 | 175837 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 486 | 9 | 1 | 4 | 4.7 | COc1ccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4545504 | 175837 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 486 | 9 | 1 | 4 | 4.7 | COc1ccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596068 | 175837 | 0 | None | 8 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 486 | 9 | 1 | 4 | 4.7 | COc1ccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 | 10.1016/j.bmc.2019.06.016 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 10486393 | 141170 | 0 | None | 2 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202000 | 141170 | 0 | None | 2 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL385625 | 141170 | 0 | None | 2 | 5 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 164618698 | 187948 | 0 | None | 43 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862098 | 187948 | 0 | None | 43 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028512 | 187948 | 0 | None | 43 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 931 | 23 | 10 | 13 | -0.5 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015645 | 177723 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1158 | 27 | 3 | 11 | 10.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4638411 | 177723 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1158 | 27 | 3 | 11 | 10.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650970 | 177723 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1158 | 27 | 3 | 11 | 10.6 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)cn3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 11691950 | 12653 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL1187853 | 12653 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| CHEMBL524097 | 12653 | 0 | None | -2 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 428 | 8 | 1 | 2 | 5.4 | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2 | 10.1021/jm801601v | ||
| 16116085 | 11741 | 0 | None | -9 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182201 | 11741 | 0 | None | -9 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219786 | 11741 | 0 | None | -9 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 44311786 | 102576 | 0 | None | 60 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 498 | 6 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL307234 | 102576 | 0 | None | 60 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 498 | 6 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311786 | 102576 | 0 | None | 60 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 498 | 6 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL307234 | 102576 | 0 | None | 60 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 498 | 6 | 0 | 6 | 4.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)OC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 463517 | 202007 | 1 | None | 436 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.8 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL67563 | 202007 | 1 | None | 436 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 589 | 6 | 0 | 7 | 4.8 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 10180872 | 102654 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL307810 | 102654 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44378951 | 57129 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 591 | 6 | 1 | 8 | 4.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3O)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL165434 | 57129 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 591 | 6 | 1 | 8 | 4.3 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)c3ccccc3O)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 44267696 | 10928 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ncccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11756 | 10928 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ncccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44343902 | 11032 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.8 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C(F)(F)F)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL117817 | 11032 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 5.8 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C(F)(F)F)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 9938599 | 58405 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 599 | 6 | 0 | 8 | 4.9 | O=C(c1ccnc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL168483 | 58405 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 599 | 6 | 0 | 8 | 4.9 | O=C(c1ccnc2ccccc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00041a006 | ||
| 10180872 | 102654 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL307810 | 102654 | 0 | None | -1 | 4 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 4.9 | COc1ccc([S+]([O-])c2ccc(C(C)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 155522355 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4451030 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4596065 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 134272501 | 176007 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4483083 | 176007 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597500 | 176007 | 0 | None | -2 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 44325052 | 205232 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 562 | 8 | 0 | 8 | 3.3 | CCCS(=O)(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL91232 | 205232 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 562 | 8 | 0 | 8 | 3.3 | CCCS(=O)(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm900132z | ||
| 137630050 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089543 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4097258 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4116470 | 160493 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1358 | 31 | 7 | 15 | 8.7 | CCC(=O)NCc1cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)cc(C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)cn2)c1 | 10.1021/acs.jmedchem.6b01892 | ||
| 127044 | 78500 | 1 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(OC1CN2CCC1CC2)C(O)(CC=CI)c1ccccc1 | 10.1021/jm00059a009 | ||
| CHEMBL2112942 | 78500 | 1 | None | -3 | 3 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 427 | 5 | 1 | 4 | 2.9 | O=C(OC1CN2CCC1CC2)C(O)(CC=CI)c1ccccc1 | 10.1021/jm00059a009 | ||
| 16115797 | 137627 | 0 | None | -3 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376870 | 137627 | 0 | None | -3 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 155522355 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 155522355 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | 31 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 10437400 | 192923 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 544 | 6 | 2 | 5 | 4.5 | CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL52852 | 192923 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 544 | 6 | 2 | 5 | 4.5 | CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5cccc6[nH]ccc56)CC4)CC3)OCCO2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44344248 | 113593 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 639 | 7 | 1 | 8 | 5.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(Cl)c6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL332702 | 113593 | 0 | None | - | 1 | Rat | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 639 | 7 | 1 | 8 | 5.0 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(Cl)c6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 9872651 | 164562 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 564 | 6 | 0 | 8 | 4.8 | O=C(Oc1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL422740 | 164562 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 564 | 6 | 0 | 8 | 4.8 | O=C(Oc1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 145148382 | 176040 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 470 | 8 | 1 | 3 | 5.0 | Cc1ccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4590868 | 176040 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 470 | 8 | 1 | 3 | 5.0 | Cc1ccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597793 | 176040 | 0 | None | -1 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 470 | 8 | 1 | 3 | 5.0 | Cc1ccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)cc1 | 10.1016/j.bmc.2019.06.016 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 44311762 | 162920 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL420008 | 162920 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311762 | 162920 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL420008 | 162920 | 0 | None | 2 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 440 | 6 | 1 | 5 | 4.0 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCNCC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 5284632 | 67065 | 8 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL1888176 | 67065 | 8 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL3084748 | 67065 | 8 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 392 | 4 | 1 | 3 | 3.8 | O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1 | 10.1021/acs.jmedchem.9b02100 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.9b02172 | ||
| 164620270 | 187957 | 0 | None | 50 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869723 | 187957 | 0 | None | 50 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028587 | 187957 | 0 | None | 50 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44343901 | 109825 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 620 | 8 | 0 | 8 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6OC)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL323850 | 109825 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 620 | 8 | 0 | 8 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6OC)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 59291327 | 112319 | 0 | None | -3 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.6 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298597 | 112319 | 0 | None | -3 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.6 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307126 | 112319 | 0 | None | -3 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 344 | 3 | 1 | 4 | 3.6 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1ccccc1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 59291513 | 112320 | 0 | None | -4 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298598 | 112320 | 0 | None | -4 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307127 | 112320 | 0 | None | -4 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 378 | 3 | 1 | 4 | 4.3 | C[N+]12CCC(CC1)[C@@H](OC(=O)Nc1ncsc1-c1cccc(Cl)c1)C2 | 10.1016/j.bmc.2014.04.031 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/acs.jmedchem.6b01892 | ||
| 44325034 | 205112 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 634 | 8 | 0 | 9 | 4.1 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL90507 | 205112 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 634 | 8 | 0 | 9 | 4.1 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2008.03.024 | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | 10.1016/j.bmcl.2008.03.024 | ||
| 10275847 | 202301 | 0 | None | 12 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 452 | 6 | 0 | 5 | 5.2 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL69595 | 202301 | 0 | None | 12 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 452 | 6 | 0 | 5 | 5.2 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44378597 | 57115 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 555 | 8 | 0 | 7 | 4.5 | CCCCC(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL165337 | 57115 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 555 | 8 | 0 | 7 | 4.5 | CCCCC(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44379052 | 119925 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 539 | 6 | 0 | 7 | 3.7 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)C3CC3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL353842 | 119925 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 539 | 6 | 0 | 7 | 3.7 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCN(C(=O)C3CC3)CC2)C[C@H]1C | 10.1016/s0960-894x(02)00024-0 | ||
| 10119364 | 43004 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 5 | 0 | 3 | 6.7 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL150624 | 43004 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 532 | 5 | 0 | 3 | 6.7 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| 44406481 | 72530 | 0 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200319 | 72530 | 0 | None | -2 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 71462570 | 82154 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| CHEMBL2178569 | 82154 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 518 | 5 | 2 | 5 | 5.6 | CC1(C)CN(CC/C=C2/c3cc(C(=O)O)ccc3OCc3ncccc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O | 10.1021/jm300682j | ||
| 44337326 | 7886 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 600 | 7 | 0 | 5 | 6.4 | COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 | 10.1021/jm0200815 | ||
| CHEMBL109051 | 7886 | 0 | None | -1 | 3 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 600 | 7 | 0 | 5 | 6.4 | COc1ccc(S(=O)(=O)c2ccc(CC3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)cc2)cc1 | 10.1021/jm0200815 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | nan | ||
| 156015153 | 177732 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4641714 | 177732 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651018 | 177732 | 0 | None | 1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1105 | 24 | 2 | 10 | 10.3 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 118719922 | 115275 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354068 | 115275 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 565 | 14 | 0 | 7 | 6.1 | CN1CCC=C(c2nsnc2OCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44343900 | 10412 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 618 | 7 | 0 | 7 | 5.4 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(C)c6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL116781 | 10412 | 0 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 618 | 7 | 0 | 7 | 5.4 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6cccc(C)c6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 59291527 | 111971 | 1 | None | -11 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298333 | 111971 | 1 | None | -11 | 3 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 155530273 | 175777 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 470 | 8 | 1 | 3 | 5.0 | Cc1cccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4463636 | 175777 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 470 | 8 | 1 | 3 | 5.0 | Cc1cccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4595649 | 175777 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 470 | 8 | 1 | 3 | 5.0 | Cc1cccc(CCC[N+]23CCC(CC2)C(OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c1 | 10.1016/j.bmc.2019.06.016 | ||
| 156014880 | 177656 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1888 | 44 | 7 | 19 | 15.0 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4636351 | 177656 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1888 | 44 | 7 | 19 | 15.0 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650536 | 177656 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1888 | 44 | 7 | 19 | 15.0 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1016/j.bmc.2013.01.072 | ||
| 44311716 | 164580 | 0 | None | 22 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 594 | 9 | 0 | 6 | 5.2 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL422770 | 164580 | 0 | None | 22 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 594 | 9 | 0 | 6 | 5.2 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311716 | 164580 | 0 | None | 22 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 594 | 9 | 0 | 6 | 5.2 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL422770 | 164580 | 0 | None | 22 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 594 | 9 | 0 | 6 | 5.2 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1038/nchembio.2007.55 | ||
| 16115943 | 11742 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1182205 | 11742 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL220393 | 11742 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 346 | 3 | 0 | 2 | 4.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 155560140 | 175773 | 0 | None | 11 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4565234 | 175773 | 0 | None | 11 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595575 | 175773 | 0 | None | 11 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm010480k | ||
| 44343735 | 10986 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 605 | 7 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL117797 | 10986 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 605 | 7 | 1 | 8 | 4.3 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6N)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 44378807 | 57842 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCN(C)CC1 | 10.1021/jm00001a002 | ||
| CHEMBL167932 | 57842 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 255 | 4 | 0 | 5 | 2.8 | CCCSc1nsnc1C1=CCN(C)CC1 | 10.1021/jm00001a002 | ||
| 4134 | 72341 | 10 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1996652 | 72341 | 10 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2106570 | 72341 | 10 | None | 1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 342 | 8 | 1 | 3 | 3.0 | CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 10269503 | 166527 | 0 | None | -7 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL428962 | 166527 | 0 | None | -7 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 14939896 | 81675 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201996 | 81675 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL216566 | 81675 | 0 | None | -1 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10096939 | 164268 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL421864 | 164268 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]ccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44295932 | 188756 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 476 | 6 | 2 | 4 | 4.3 | Cc1c(N)cccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51256 | 188756 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 476 | 6 | 2 | 4 | 4.3 | Cc1c(N)cccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44344156 | 10034 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 624 | 7 | 0 | 7 | 5.4 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL115681 | 10034 | 0 | None | - | 1 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 624 | 7 | 0 | 7 | 5.4 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 9807612 | 58763 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 550 | 8 | 0 | 8 | 3.3 | CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL169565 | 58763 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 550 | 8 | 0 | 8 | 3.3 | CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 44383342 | 59172 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 548 | 6 | 0 | 7 | 4.4 | O=C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL171411 | 59172 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 548 | 6 | 0 | 7 | 4.4 | O=C(c1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 16065135 | 67583 | 0 | None | -2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 442 | 9 | 1 | 3 | 5.2 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccccc2)C1 | 10.1021/jm200884j | ||
| CHEMBL1910846 | 67583 | 0 | None | -2 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 442 | 9 | 1 | 3 | 5.2 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@H](Oc2ccccc2)C1 | 10.1021/jm200884j | ||
| 11693 | 1797 | 12 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 3494 | 1797 | 12 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 4302 | 1797 | 12 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 7459 | 1797 | 12 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL1201335 | 1797 | 12 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| DB00986 | 1797 | 12 | None | -2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 140844401 | 176113 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCc3ccc(Br)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4539799 | 176113 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCc3ccc(Br)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4598363 | 176113 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCc3ccc(Br)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00127a020 | ||
| 16125541 | 136683 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 442 | 7 | 1 | 2 | 4.3 | C[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL374989 | 136683 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 442 | 7 | 1 | 2 | 4.3 | C[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 155513986 | 175913 | 0 | None | 11 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4439675 | 175913 | 0 | None | 11 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596667 | 175913 | 0 | None | 11 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 760 | 19 | 10 | 8 | 1.4 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 101882890 | 115276 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354069 | 115276 | 0 | None | -1 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 593 | 16 | 0 | 7 | 6.8 | CN1CCC=C(c2nsnc2OCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 14939894 | 10199 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL116172 | 10199 | 0 | None | 1 | 4 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 742 | 28 | 3 | 8 | 8.0 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 302 | 2929 | 23 | None | -3 | 7 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00095a008 | ||
| 4630 | 2929 | 23 | None | -3 | 7 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00095a008 | ||
| CHEMBL7634 | 2929 | 23 | None | -3 | 7 | Mouse | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00095a008 | ||
| 71128 | 96362 | 18 | None | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00127a020 | ||
| CHEMBL26505 | 96362 | 18 | None | -3 | 8 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00127a020 | ||
| 14210083 | 156171 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4070155 | 156171 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.6b01892 | ||
| 44378763 | 119997 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 613 | 6 | 0 | 5 | 6.2 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL354461 | 119997 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 613 | 6 | 0 | 5 | 6.2 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| 44344215 | 13170 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 668 | 7 | 0 | 7 | 5.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6Br)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL119168 | 13170 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 668 | 7 | 0 | 7 | 5.5 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6Br)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 16721019 | 87558 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234258 | 87558 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 10061124 | 78496 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 259 | 4 | 0 | 5 | 2.3 | CN1CCC=C(c2nsnc2SCCF)C1 | 10.1021/jm00001a002 | ||
| CHEMBL2112938 | 78496 | 0 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 259 | 4 | 0 | 5 | 2.3 | CN1CCC=C(c2nsnc2SCCF)C1 | 10.1021/jm00001a002 | ||
| 44324891 | 111076 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 600 | 6 | 0 | 9 | 4.6 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@@H](C)[C@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL328093 | 111076 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 600 | 6 | 0 | 9 | 4.6 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)O[C@@H](C)[C@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 155559741 | 175713 | 0 | None | 5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4562770 | 175713 | 0 | None | 5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595125 | 175713 | 0 | None | 5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 444015 | 13902 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL1197177 | 13902 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 44295617 | 189057 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 534 | 6 | 2 | 6 | 3.9 | Cc1c(N)cccc1C(=O)N1CCC(N2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51510 | 189057 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 534 | 6 | 2 | 6 | 3.9 | Cc1c(N)cccc1C(=O)N1CCC(N2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44431389 | 145618 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL391977 | 145618 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm100697g | ||
| 59291421 | 112280 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298592 | 112280 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305620 | 112280 | 0 | None | -2 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 164609302 | 187879 | 0 | None | 20 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846958 | 187879 | 0 | None | 20 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027951 | 187879 | 0 | None | 20 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 14210083 | 156171 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4070155 | 156171 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(01)00186-x | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00566-8 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00566-8 | ||
| 10104167 | 2028 | 1 | None | 13 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 6937 | 2028 | 1 | None | 13 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| CHEMBL3121473 | 2028 | 1 | None | 13 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 44627746 | 13928 | 0 | None | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197392 | 13928 | 0 | None | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569760 | 13928 | 0 | None | -4 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 122203596 | 155265 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4059733 | 155265 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4066481 | 155265 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 627 | 14 | 3 | 7 | 4.3 | CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)cn1 | 10.1021/acs.jmedchem.6b01892 | ||
| 52941205 | 54982 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 554 | 27 | 4 | 6 | 7.9 | COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1256938 | 54982 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 554 | 27 | 4 | 6 | 7.9 | COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1618160 | 54982 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 554 | 27 | 4 | 6 | 7.9 | COc1ccccc1NCCCCCCNCCCCCCCCNCCCCCCNc1ccccc1OC | 10.1016/j.bmc.2007.09.003 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 10.1021/jm500790x | ||
| 156015246 | 177664 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 406 | 6 | 2 | 4 | 3.8 | NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4648144 | 177664 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 406 | 6 | 2 | 4 | 3.8 | NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650567 | 177664 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 406 | 6 | 2 | 4 | 3.8 | NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 71452793 | 79245 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115127 | 79245 | 0 | None | 1 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 444015 | 13902 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL1197177 | 13902 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 118719921 | 115274 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354067 | 115274 | 0 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 537 | 12 | 0 | 7 | 5.3 | CN1CCC=C(c2nsnc2OCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 455657 | 202307 | 1 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 624 | 6 | 1 | 8 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL69642 | 202307 | 1 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 624 | 6 | 1 | 8 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(N)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| 455656 | 202312 | 1 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 604 | 6 | 1 | 8 | 4.5 | Cc1cccc(N)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL69670 | 202312 | 1 | None | -3 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 604 | 6 | 1 | 8 | 4.5 | Cc1cccc(N)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 24841480 | 183317 | 0 | None | -50 | 20 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL481153 | 183317 | 0 | None | -50 | 20 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 340 | 3 | 0 | 4 | 4.5 | O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 135398737 | 944 | 89 | None | -22 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 38 | 944 | 89 | None | -22 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 722 | 944 | 89 | None | -22 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| CHEMBL42 | 944 | 89 | None | -22 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| DB00363 | 944 | 89 | None | -22 | 91 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1039/C2MD00311B | ||
| 135398745 | 2869 | 108 | None | -38 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 47 | 2869 | 108 | None | -38 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| CHEMBL715 | 2869 | 108 | None | -38 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| DB00334 | 2869 | 108 | None | -38 | 65 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | 10.1039/C2MD00311B | ||
| 44406527 | 140118 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 349 | 3 | 1 | 5 | 1.8 | CO[C@]1(C#CC(O)(c2cccnc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL381469 | 140118 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 349 | 3 | 1 | 5 | 1.8 | CO[C@]1(C#CC(O)(c2cccnc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0301235 | ||
| 46855274 | 113219 | 13 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 182 | 2 | 0 | 4 | 0.3 | CN(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323285 | 113219 | 13 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 182 | 2 | 0 | 4 | 0.3 | CN(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 155536739 | 171649 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4473985 | 171649 | 0 | None | -2 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 384 | 5 | 0 | 4 | 4.1 | COc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 44385509 | 60737 | 10 | None | -3 | 2 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 270 | 4 | 0 | 3 | 1.6 | CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL176400 | 60737 | 10 | None | -3 | 2 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 270 | 4 | 0 | 3 | 1.6 | CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0606995 | ||
| 16086067 | 80905 | 0 | None | -63 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL215894 | 80905 | 0 | None | -63 | 5 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 10248403 | 102945 | 0 | None | -25 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084867 | 102945 | 0 | None | -25 | 2 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 367 | 6 | 0 | 4 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(OC)cc2)cc1 | 10.1021/jm00020a006 | ||
| 44309209 | 202620 | 0 | None | -38 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.7 | CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71483 | 202620 | 0 | None | -38 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 394 | 5 | 2 | 3 | 3.7 | CC(C)(N)CC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 301 | 2498 | 16 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 9571002 | 2498 | 16 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL151938 | 2498 | 16 | None | 3 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 154 | 2 | 0 | 3 | 0.9 | CO/N=C/C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 118500 | 156457 | 57 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4073256 | 156457 | 57 | None | -1 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 165 | 4 | 1 | 2 | 1.5 | CNCCc1cccc(OC)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 25147647 | 181557 | 0 | None | 2 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL478226 | 181557 | 0 | None | 2 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| 11798126 | 41728 | 0 | None | -288 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL149484 | 41728 | 0 | None | -288 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 458 | 7 | 2 | 4 | 4.1 | COc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 137630848 | 160569 | 0 | None | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4061390 | 160569 | 0 | None | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117131 | 160569 | 0 | None | -1 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 213 | 3 | 0 | 3 | 1.5 | C[N+]1(C)CCC(OCc2nccs2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 56593934 | 65364 | 0 | None | -2630 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | ||
| CHEMBL1834350 | 65364 | 0 | None | -2630 | 8 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 383 | 3 | 2 | 4 | 1.7 | CCN/C(=N\S(=O)(=O)c1cccc(Cl)c1)N1CC2(C=N1)CCNCC2 | 10.1021/jm200466r | ||
| 73352414 | 92100 | 0 | None | -1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432038 | 92100 | 0 | None | -1 | 5 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 257 | 3 | 1 | 1 | 3.3 | C1CCC(CN[C@H]2C3C4CC5C6C4CC3C6C52)CC1 | 10.1016/j.bmc.2013.07.045 | ||
| 16125648 | 84311 | 0 | None | -44 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 477 | 6 | 1 | 3 | 3.7 | C[N+]1(CC(=O)c2cccnc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222874 | 84311 | 0 | None | -44 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 477 | 6 | 1 | 3 | 3.7 | C[N+]1(CC(=O)c2cccnc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 15065550 | 203407 | 2 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL77793 | 203407 | 2 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 217 | 2 | 0 | 3 | 0.8 | Cc1nccn1CC#CCN1CCCC1=O | 10.1016/j.bmc.2007.12.036 | ||
| 72064 | 77994 | 9 | None | -2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2110892 | 77994 | 9 | None | -2 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 11131099 | 119755 | 0 | None | 3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352404 | 119755 | 0 | None | 3 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 44593619 | 186877 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493980 | 186877 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 73346334 | 92109 | 0 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432048 | 92109 | 0 | None | -1 | 7 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 265 | 4 | 1 | 1 | 3.0 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)cc1 | 10.1016/j.bmc.2013.07.045 | ||
| 44295616 | 188207 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 549 | 6 | 1 | 3 | 6.8 | O=C(Nc1ccccc1)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL50584 | 188207 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 549 | 6 | 1 | 3 | 6.8 | O=C(Nc1ccccc1)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44267766 | 160772 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.3 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)C(C)C)cc4)CC3)CC2)c1N | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL412421 | 160772 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.3 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)C(C)C)cc4)CC3)CC2)c1N | 10.1016/s0960-894x(02)00096-3 | ||
| 44267766 | 160772 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.3 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)C(C)C)cc4)CC3)CC2)c1N | 10.1021/jm0255163 | ||
| CHEMBL412421 | 160772 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 4.3 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(S(=O)(=O)C(C)C)cc4)CC3)CC2)c1N | 10.1021/jm0255163 | ||
| 134688371 | 14306 | 10 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | nan | ||
| 13765 | 14306 | 10 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | nan | ||
| CHEMBL1200623 | 14306 | 10 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | nan | ||
| 164621085 | 187964 | 0 | None | 16 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869980 | 187964 | 0 | None | 16 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028630 | 187964 | 0 | None | 16 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 830 | 17 | 8 | 11 | -0.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 639794 | 98314 | 1 | None | 1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL278129 | 98314 | 1 | None | 1 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 3652 | 45983 | 62 | None | -2 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| CHEMBL1535 | 45983 | 62 | None | -2 | 9 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | nan | ||
| 44400175 | 67427 | 0 | None | -2 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 307 | 5 | 1 | 2 | 4.2 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL190815 | 67427 | 0 | None | -2 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 307 | 5 | 1 | 2 | 4.2 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44295878 | 191194 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 5 | 1 | 3 | 5.1 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)(C)C)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51982 | 191194 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 475 | 5 | 1 | 3 | 5.1 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)(C)C)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 71128 | 96362 | 18 | None | -17 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL26505 | 96362 | 18 | None | -17 | 8 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 16124706 | 136997 | 0 | None | -61 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.1 | Cc1cccc(CN2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| CHEMBL375420 | 136997 | 0 | None | -61 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 437 | 5 | 1 | 4 | 5.1 | Cc1cccc(CN2CCC(N3CC(c4cccs4)(c4cccs4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| 303 | 2930 | 16 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 4629 | 2930 | 16 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 8595 | 2930 | 16 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL44674 | 2930 | 16 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 10871551 | 120003 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354523 | 120003 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 340 | 6 | 0 | 2 | 5.2 | CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44593618 | 186876 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493979 | 186876 | 0 | None | 1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 71718669 | 86530 | 0 | None | -8 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 2.0 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323446 | 86530 | 0 | None | -8 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 2.0 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 11012712 | 57524 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167027 | 57524 | 0 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 322 | 6 | 0 | 3 | 4.2 | COc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 9931930 | 108113 | 0 | None | -537 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL320465 | 108113 | 0 | None | -537 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.8 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 11079969 | 163305 | 0 | None | -70 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL420662 | 163305 | 0 | None | -70 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 4.3 | C=CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44267713 | 15429 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 466 | 7 | 0 | 4 | 5.8 | COc1ccc(C(=O)N2CCC(N3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12215 | 15429 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 466 | 7 | 0 | 4 | 5.8 | COc1ccc(C(=O)N2CCC(N3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 16125400 | 84240 | 0 | None | -35 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 494 | 6 | 1 | 2 | 4.5 | C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222449 | 84240 | 0 | None | -35 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 494 | 6 | 1 | 2 | 4.5 | C[N+]1(CC(=O)c2cccc(F)c2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 71456286 | 79188 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2114430 | 79188 | 0 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 10380647 | 153897 | 1 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 309 | 2 | 0 | 2 | 4.8 | c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1 | 10.1021/jm970740r | ||
| CHEMBL39900 | 153897 | 1 | None | -1 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 309 | 2 | 0 | 2 | 4.8 | c1ccc(CN2CCC3(CCc4ccccc4S3)CC2)cc1 | 10.1021/jm970740r | ||
| 15050949 | 202278 | 0 | None | 1 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 641 | 10 | 3 | 8 | 4.2 | CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL69458 | 202278 | 0 | None | 1 | 3 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 641 | 10 | 3 | 8 | 4.2 | CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 11498 | 2970 | 33 | None | -67 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 4995951 | 2970 | 33 | None | -67 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL59898 | 2970 | 33 | None | -67 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1016/j.bmcl.2008.03.061 | ||
| 15888011 | 202610 | 0 | None | -11 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 302 | 3 | 2 | 3 | 2.0 | NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71431 | 202610 | 0 | None | -11 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 302 | 3 | 2 | 3 | 2.0 | NC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44267718 | 16832 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4nccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12542 | 16832 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4nccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 155521383 | 175852 | 0 | None | 8 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4450522 | 175852 | 0 | None | 8 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596184 | 175852 | 0 | None | 8 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 604 | 13 | 6 | 6 | 2.7 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 71741394 | 120322 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323287 | 120322 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558239 | 120322 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 10474247 | 100934 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL297276 | 100934 | 0 | None | - | 1 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| 15678852 | 101747 | 0 | None | 1 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 12 | 2 | 6 | 4.0 | NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302923 | 101747 | 0 | None | 1 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 12 | 2 | 6 | 4.0 | NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm2013216 | ||
| 14964495 | 12505 | 1 | None | 4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118700 | 12505 | 1 | None | 4 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 11526446 | 200119 | 0 | None | -13 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccsc1 | 10.1021/jm050099q | ||
| CHEMBL606904 | 200119 | 0 | None | -13 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccsc1 | 10.1021/jm050099q | ||
| 16086064 | 79550 | 0 | None | -213 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL212645 | 79550 | 0 | None | -213 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 730 | 10 | 2 | 5 | 5.6 | O=C(NCC1CCN(C2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 5747382 | 108716 | 2 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL321605 | 108716 | 2 | None | - | 1 | Mouse | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 44309208 | 165097 | 0 | None | -77 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.1 | O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL424416 | 165097 | 0 | None | -77 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.1 | O=C(N1CCCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 14964496 | 8876 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL109815 | 8876 | 0 | None | 1 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 10339062 | 36058 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 242 | 1 | 0 | 1 | 3.4 | C[N+]12CCC(CC1)C(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL144580 | 36058 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 242 | 1 | 0 | 1 | 3.4 | C[N+]12CCC(CC1)C(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| 474188 | 31434 | 2 | None | -28 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 518 | 4 | 1 | 6 | 4.5 | Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL140490 | 31434 | 2 | None | -28 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 518 | 4 | 1 | 6 | 4.5 | Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10595006 | 11340 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL1180343 | 11340 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL123099 | 11340 | 0 | None | -6 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 365 | 7 | 0 | 4 | 4.0 | CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 53414666 | 158754 | 7 | None | 1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4099673 | 158754 | 7 | None | 1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 192 | 4 | 1 | 3 | 1.2 | c1cncc(COCC2CCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 574782 | 101681 | 2 | None | -3 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 397 | 3 | 1 | 6 | 2.3 | CSc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCN(C)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302557 | 101681 | 2 | None | -3 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 397 | 3 | 1 | 6 | 2.3 | CSc1ccc2c(c1)C(=O)Nc1cccnc1N2C(=O)CN1CCN(C)CC1 | 10.1021/jm00111a032 | ||
| 2274 | 3124 | 53 | None | -100 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 4917 | 3124 | 53 | None | -100 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 7279 | 3124 | 53 | None | -100 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| CHEMBL728 | 3124 | 53 | None | -100 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| DB00433 | 3124 | 53 | None | -100 | 32 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | nan | ||
| 44379508 | 57856 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 664 | 9 | 1 | 4 | 6.6 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL168145 | 57856 | 0 | None | -3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 664 | 9 | 1 | 4 | 6.6 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1cccc(I)c1 | 10.1016/S0960-894X(97)00109-1 | ||
| 11034265 | 119867 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL353290 | 119867 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 310 | 5 | 0 | 2 | 4.3 | CC(C1=C(CCN(C)C)Cc2ccc(F)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 162353386 | 180398 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758635 | 180398 | 0 | None | 1 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 46227555 | 14016 | 0 | None | 5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198062 | 14016 | 0 | None | 5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594376 | 14016 | 0 | None | 5 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| 44443734 | 93804 | 0 | None | -16 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 7 | 2 | 3 | 3.5 | CC(C)=CCCN1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL250031 | 93804 | 0 | None | -16 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 7 | 2 | 3 | 3.5 | CC(C)=CCCN1C[C@H]2[C@H](NC(=O)[C@@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| 36014865 | 182088 | 2 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4789054 | 182088 | 2 | None | 1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 280 | 4 | 1 | 2 | 3.5 | O=C(CCN1CCCc2ccccc21)Nc1ccccc1 | 10.1016/j.bmcl.2020.127632 | ||
| 16125682 | 83873 | 0 | None | -239 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 5 | 1 | 2 | 5.0 | O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(F)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL221401 | 83873 | 0 | None | -239 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 465 | 5 | 1 | 2 | 5.0 | O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(F)c2)CC1 | 10.1021/jm061159a | ||
| 44299635 | 100103 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL291562 | 100103 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 164623185 | 187985 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4864101 | 187985 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028743 | 187985 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 407 | 4 | 3 | 5 | 1.5 | NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 137640511 | 156524 | 0 | None | -44 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4074104 | 156524 | 0 | None | -44 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 286 | 4 | 0 | 2 | 3.1 | CC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 16125593 | 84317 | 0 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 467 | 8 | 1 | 3 | 4.1 | N#CC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222916 | 84317 | 0 | None | -2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 467 | 8 | 1 | 3 | 4.1 | N#CC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 3198 | 203802 | 73 | None | -16 | 34 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL1201049 | 203802 | 73 | None | -16 | 34 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| CHEMBL808 | 203802 | 73 | None | -16 | 34 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | ||
| 73345823 | 89385 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 305 | 10 | 0 | 3 | 4.1 | CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377392 | 89385 | 0 | None | -19 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 305 | 10 | 0 | 3 | 4.1 | CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 11722587 | 12827 | 0 | None | -5 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 304 | 7 | 1 | 4 | 3.0 | CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1189204 | 12827 | 0 | None | -5 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 304 | 7 | 1 | 4 | 3.0 | CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL538266 | 12827 | 0 | None | -5 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 304 | 7 | 1 | 4 | 3.0 | CCN(CC)CCOC(=O)C1(c2ccc(N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 26987 | 936 | 29 | None | -102 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 6063 | 936 | 29 | None | -102 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 671 | 936 | 29 | None | -102 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1626 | 936 | 29 | None | -102 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| DB00283 | 936 | 29 | None | -102 | 21 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | 10.1038/s41586-020-2286-9 | ||
| 71575447 | 85775 | 0 | None | -19 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312361 | 85775 | 0 | None | -19 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 5 | 0 | 4 | 3.5 | CN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 44299599 | 167242 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL430587 | 167242 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 44313166 | 102627 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 4.0 | O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL307628 | 102627 | 0 | None | 2 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 415 | 7 | 0 | 5 | 4.0 | O=C(OCOCCN1CCOCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 2337 | 3205 | 72 | None | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 50 | 3205 | 72 | None | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 5002 | 3205 | 72 | None | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| CHEMBL716 | 3205 | 72 | None | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| DB01224 | 3205 | 72 | None | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | nan | ||
| 11061341 | 78509 | 0 | None | -25 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112958 | 78509 | 0 | None | -25 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 662 | 13 | 2 | 4 | 6.3 | O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 44295787 | 188497 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 481 | 6 | 1 | 3 | 5.0 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL50998 | 188497 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 481 | 6 | 1 | 3 | 5.0 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44267759 | 11645 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 529 | 7 | 0 | 4 | 5.6 | CN(C)C(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11816 | 11645 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 529 | 7 | 0 | 4 | 5.6 | CN(C)C(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 10163651 | 162682 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL418446 | 162682 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| 15870389 | 120281 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 599 | 6 | 0 | 8 | 4.9 | O=C(c1cccc2cccnc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL355510 | 120281 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 599 | 6 | 0 | 8 | 4.9 | O=C(c1cccc2cccnc12)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 277 | 1274 | 55 | None | -10 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2913 | 1274 | 55 | None | -10 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 765 | 1274 | 55 | None | -10 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| CHEMBL516 | 1274 | 55 | None | -10 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| DB00434 | 1274 | 55 | None | -10 | 45 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | nan | ||
| 2286 | 3134 | 48 | None | -3 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 4927 | 3134 | 48 | None | -3 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 7282 | 3134 | 48 | None | -3 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| CHEMBL643 | 3134 | 48 | None | -3 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| DB01069 | 3134 | 48 | None | -3 | 29 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | nan | ||
| 2745 | 3800 | 39 | None | -46 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 5572 | 3800 | 39 | None | -46 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 66007 | 3800 | 39 | None | -46 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 7315 | 3800 | 39 | None | -46 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| CHEMBL1490 | 3800 | 39 | None | -46 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| DB00376 | 3800 | 39 | None | -46 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | nan | ||
| 44431388 | 86891 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233202 | 86891 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44431380 | 87557 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234257 | 87557 | 0 | None | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 16065136 | 67584 | 0 | None | -3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 9 | 1 | 3 | 5.2 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ccccc2)C1 | 10.1021/jm200884j | ||
| CHEMBL1910847 | 67584 | 0 | None | -3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 442 | 9 | 1 | 3 | 5.2 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC[C@@H](Oc2ccccc2)C1 | 10.1021/jm200884j | ||
| 140844418 | 175836 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 4.9 | O=C(OC1C[N+]2(CCCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4576060 | 175836 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 4.9 | O=C(OC1C[N+]2(CCCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596067 | 175836 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 4.9 | O=C(OC1C[N+]2(CCCCOc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 140844397 | 176024 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 4.7 | O=C(OC1C[N+]2(CCCOCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4567385 | 176024 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 4.7 | O=C(OC1C[N+]2(CCCOCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597612 | 176024 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 486 | 10 | 1 | 4 | 4.7 | O=C(OC1C[N+]2(CCCOCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 140844405 | 176068 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 9 | 1 | 3 | 5.1 | O=C(OC1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4474694 | 176068 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 9 | 1 | 3 | 5.1 | O=C(OC1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597973 | 176068 | 0 | None | -2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 470 | 9 | 1 | 3 | 5.1 | O=C(OC1C[N+]2(CCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 10316726 | 11923 | 0 | None | -35 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11923 | 0 | None | -35 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11923 | 0 | None | -35 | 5 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 164614994 | 187918 | 0 | None | 23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4850553 | 187918 | 0 | None | 23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028287 | 187918 | 0 | None | 23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 930 | 23 | 9 | 12 | 0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155528270 | 175817 | 0 | None | 7 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4461081 | 175817 | 0 | None | 7 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595943 | 175817 | 0 | None | 7 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44325080 | 111083 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 588 | 8 | 0 | 7 | 4.5 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL328120 | 111083 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 588 | 8 | 0 | 7 | 4.5 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 44392966 | 65768 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL183903 | 65768 | 0 | None | 10 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 11808040 | 167831 | 0 | None | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL434684 | 167831 | 0 | None | 2 | 6 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 278 | 4 | 0 | 2 | 3.8 | CC(C1=C(CN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 75167447 | 177711 | 0 | None | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634230 | 177711 | 0 | None | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650933 | 177711 | 0 | None | -23 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44233190 | 102927 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084679 | 102927 | 0 | None | -7 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 335 | 5 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00695-9 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00695-9 | ||
| 154417 | 92828 | 57 | None | -9 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL2449003 | 92828 | 57 | None | -9 | 10 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 10418181 | 9495 | 1 | None | -5 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL112500 | 9495 | 1 | None | -5 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201995 | 9495 | 1 | None | -5 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 873 | 26 | 3 | 10 | 8.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 205895 | 11763 | 2 | None | 1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL118240 | 11763 | 2 | None | 1 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm100697g | ||
| 155515662 | 169397 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4441786 | 169397 | 0 | None | -1 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 336 | 4 | 0 | 3 | 3.9 | O=C(OCc1ccccc1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00127a020 | ||
| 154059 | 3580 | 49 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 2457 | 3580 | 49 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 7483 | 3580 | 49 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL1734 | 3580 | 49 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| DB01591 | 3580 | 49 | None | -12 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 10.1016/j.ejmech.2017.06.004 | ||
| 44308910 | 202047 | 0 | None | -39 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 3 | 2 | 3 | 1.7 | O=C(N1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL67814 | 202047 | 0 | None | -39 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 324 | 3 | 2 | 3 | 1.7 | O=C(N1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 9794266 | 156609 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 205 | 2 | 0 | 2 | 2.1 | COc1cccc2c1CC(N(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4075227 | 156609 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 205 | 2 | 0 | 2 | 2.1 | COc1cccc2c1CC(N(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 44318817 | 168548 | 0 | None | -7 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL440138 | 168548 | 0 | None | -7 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 16086065 | 79387 | 0 | None | -426 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 622 | 10 | 3 | 5 | 3.9 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL211976 | 79387 | 0 | None | -426 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 622 | 10 | 3 | 5 | 3.9 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 3072501 | 106785 | 6 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL316973 | 106785 | 6 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 5747382 | 108716 | 2 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL321605 | 108716 | 2 | None | - | 1 | Mouse | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 410 | 11 | 3 | 10 | 2.8 | CN(C)Cc1ccc(CSCCNc2cc(NN)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 71716224 | 86528 | 0 | None | -13 | 3 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 317 | 4 | 0 | 5 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)Cc3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323444 | 86528 | 0 | None | -13 | 3 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 317 | 4 | 0 | 5 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)Cc3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 71451002 | 79300 | 0 | None | 1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| CHEMBL2115494 | 79300 | 0 | None | 1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| 71451002 | 79300 | 0 | None | 1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| CHEMBL2115494 | 79300 | 0 | None | 1 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 185 | 1 | 2 | 4 | -0.3 | COC(=O)[C@H]1CC2NC1CC[C@@H]2O | 10.1021/jm9705115 | ||
| 657347 | 5007 | 2 | None | -10 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL105457 | 5007 | 2 | None | -10 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL387632 | 5007 | 2 | None | -10 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 72190449 | 91840 | 0 | None | -4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426676 | 91840 | 0 | None | -4 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 657347 | 5007 | 2 | None | -10 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL105457 | 5007 | 2 | None | -10 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL387632 | 5007 | 2 | None | -10 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.5 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| 44274302 | 76714 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL20732 | 76714 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 2166 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 305 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 5910 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL550 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| DB01085 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/j.bmc.2007.12.036 | ||
| 44448419 | 12230 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185266 | 12230 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403592 | 12230 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 580 | 16 | 2 | 2 | 7.0 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CCC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44295713 | 189156 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 495 | 6 | 1 | 3 | 5.8 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51588 | 189156 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 495 | 6 | 1 | 3 | 5.8 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 71459604 | 83379 | 0 | None | -2 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205811 | 83379 | 0 | None | -2 | 14 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1 | 10.1016/j.bmcl.2012.08.046 | ||
| 463319 | 118891 | 1 | None | -102 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 579 | 5 | 0 | 5 | 6.5 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL344607 | 118891 | 1 | None | -102 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 579 | 5 | 0 | 5 | 6.5 | Cc1nc(-c2ccccc2)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 4543 | 169982 | 36 | None | -6 | 29 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL1201156 | 169982 | 36 | None | -6 | 29 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| CHEMBL445 | 169982 | 36 | None | -6 | 29 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | nan | ||
| 14967772 | 13302 | 7 | None | -58 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 7 | 0 | 3 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(I)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1192807 | 13302 | 7 | None | -58 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 7 | 0 | 3 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(I)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL544107 | 13302 | 7 | None | -58 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 7 | 0 | 3 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(I)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 688567 | 62705 | 3 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL1788199 | 62705 | 3 | None | - | 1 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| 10251468 | 93635 | 0 | None | -20 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.2 | Cc1ccc(C(C)N2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249006 | 93635 | 0 | None | -20 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.2 | Cc1ccc(C(C)N2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2007.06.081 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm0510878 | ||
| 12963076 | 194950 | 2 | None | -2951 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL564226 | 194950 | 2 | None | -2951 | 6 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | C[C@H](C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 109018479 | 181236 | 1 | None | 2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4778178 | 181236 | 1 | None | 2 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 284 | 5 | 1 | 3 | 2.7 | O=C(CCN1CCCc2ccccc21)NCc1ccco1 | 10.1016/j.bmcl.2020.127632 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm800145d | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2014.06.020 | ||
| 145961125 | 160998 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128667 | 160998 | 0 | None | -3 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 71463063 | 83387 | 0 | None | -2 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205825 | 83387 | 0 | None | -2 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 44318928 | 204049 | 0 | None | -28 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 5.0 | COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL82859 | 204049 | 0 | None | -28 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 400 | 6 | 0 | 3 | 5.0 | COc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(02)00487-0 | ||
| 250 | 3334 | 5 | None | -35481 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| 5311416 | 3334 | 5 | None | -35481 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| CHEMBL69733 | 3334 | 5 | None | -35481 | 13 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 502 | 10 | 1 | 7 | 5.0 | COc1cc(CCCN2CCC(CC2)CCC(=O)c2cc(Cl)c(c3c2OCCO3)N)ccc1OC | 10.1016/0960-894X(95)00358-Z | ||
| 24865895 | 95559 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL259662 | 95559 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL390842 | 95559 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 44274469 | 80196 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21509 | 80196 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 44406321 | 72433 | 0 | None | -15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 4.3 | CO[C@]1(C#CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL199981 | 72433 | 0 | None | -15 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 415 | 3 | 1 | 3 | 4.3 | CO[C@]1(C#CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 6918276 | 15435 | 4 | None | -131 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| CHEMBL1221512 | 15435 | 4 | None | -131 | 8 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 559 | 18 | 4 | 9 | 1.7 | CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)OC(C)C)NC[C@@H](N)CS | nan | ||
| 60138186 | 120323 | 0 | None | 23 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 60138193 | 120323 | 0 | None | 23 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323288 | 120323 | 0 | None | 23 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558240 | 120323 | 0 | None | 23 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 44267712 | 161474 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 7 | 1 | 5 | 4.4 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL415975 | 161474 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 515 | 7 | 1 | 5 | 4.4 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 1548953 | 205945 | 24 | None | -6 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| CHEMBL954 | 205945 | 24 | None | -6 | 17 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | ||
| 71452387 | 83389 | 0 | None | 1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205829 | 83389 | 0 | None | 1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2012.08.046 | ||
| 71452387 | 83389 | 0 | None | 1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205829 | 83389 | 0 | None | 1 | 7 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 309 | 2 | 1 | 4 | 1.7 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccc2c(c1)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 11006792 | 78512 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112961 | 78512 | 0 | None | -5 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 648 | 12 | 2 | 4 | 5.9 | O=C(CNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 11501540 | 133080 | 0 | None | -16 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| CHEMBL371293 | 133080 | 0 | None | -16 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| 44406598 | 72679 | 0 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 325 | 3 | 1 | 3 | 2.8 | COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200957 | 72679 | 0 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 325 | 3 | 1 | 3 | 2.8 | COC1(C#CC(O)(c2ccccc2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44383238 | 120115 | 0 | None | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 387 | 4 | 0 | 3 | 5.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC43)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL354636 | 120115 | 0 | None | 2 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 387 | 4 | 0 | 3 | 5.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC43)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 59291452 | 112279 | 0 | None | -3 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298590 | 112279 | 0 | None | -3 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305615 | 112279 | 0 | None | -3 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.1 | O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 155541812 | 172481 | 0 | None | -7 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4519301 | 172481 | 0 | None | -7 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 5 | 0 | 3 | 4.1 | O=C(OC1CN2CCC1CC2)N(CCc1ccc(F)cc1)c1ccccc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 164623942 | 187994 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4873621 | 187994 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028796 | 187994 | 0 | None | 3 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 831 | 21 | 11 | 10 | 0.9 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156020548 | 177604 | 0 | None | -9 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4649224 | 177604 | 0 | None | -9 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)CC1COCC(c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10759971 | 64922 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL182761 | 64922 | 0 | None | 5 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 44627748 | 13980 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197705 | 13980 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL583027 | 13980 | 0 | None | -1 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 332 | 4 | 0 | 1 | 5.4 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 15050960 | 101857 | 0 | None | -4 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 15 | 1 | 6 | 5.4 | CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303622 | 101857 | 0 | None | -4 | 2 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 15 | 1 | 6 | 5.4 | CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 2381 | 656 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 374 | 656 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 7128 | 656 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1101 | 656 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| DB00810 | 656 | 43 | None | -15 | 9 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 156021441 | 177580 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648939 | 177580 | 0 | None | -2 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44308912 | 102360 | 0 | None | -61 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 338 | 4 | 2 | 3 | 2.1 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL305531 | 102360 | 0 | None | -61 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 338 | 4 | 2 | 3 | 2.1 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 155562285 | 175269 | 0 | None | -16 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4585326 | 175269 | 0 | None | -16 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 380 | 6 | 0 | 4 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 | 10.1016/j.bmcl.2018.12.022 | ||
| 44296044 | 193004 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 555 | 6 | 1 | 3 | 6.6 | O=C(NC1CCCCC1)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL53190 | 193004 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 555 | 6 | 1 | 3 | 6.6 | O=C(NC1CCCCC1)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 14964499 | 168823 | 2 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL442206 | 168823 | 2 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 15196354 | 118765 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL343697 | 118765 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm020572p | ||
| 137630994 | 160593 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CC(C[N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4103375 | 160593 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CC(C[N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117267 | 160593 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CC(C[N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10421982 | 204322 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| CHEMBL85190 | 204322 | 0 | None | 1 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| 16086061 | 79808 | 0 | None | -1412 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| CHEMBL213709 | 79808 | 0 | None | -1412 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 690 | 10 | 2 | 5 | 4.6 | CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| 10597259 | 118752 | 0 | None | -67 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL343644 | 118752 | 0 | None | -67 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| 14964499 | 168823 | 2 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL442206 | 168823 | 2 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 14964506 | 112817 | 1 | None | -6 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL331556 | 112817 | 1 | None | -6 | 2 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 118710670 | 120320 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323284 | 120320 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558233 | 120320 | 0 | None | -1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1016/j.bmc.2007.12.036 | ||
| 164612852 | 187899 | 0 | None | 9 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852544 | 187899 | 0 | None | 9 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028161 | 187899 | 0 | None | 9 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164627387 | 188021 | 0 | None | 7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874785 | 188021 | 0 | None | 7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028995 | 188021 | 0 | None | 7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162353369 | 180213 | 0 | None | 1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756442 | 180213 | 0 | None | 1 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC(O)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 19021478 | 192096 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 4 | 1 | 3 | 4.5 | CNC(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1 | 10.1016/j.ejmech.2022.114606 | ||
| CHEMBL5219452 | 192096 | 0 | None | 5 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 4 | 1 | 3 | 4.5 | CNC(=O)Oc1cccc2c1CCC1C2CCN1CCC1CCCCC1 | 10.1016/j.ejmech.2022.114606 | ||
| 3497 | 1158 | 20 | None | -47 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| 5311123 | 1158 | 20 | None | -47 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| CHEMBL1628706 | 1158 | 20 | None | -47 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 11 | 4 | 6 | 2.5 | O[C@H]([C@@H](NC(=O)c1cnc2c(n1)cccc2)Cc1cccc(c1)F)C[C@H](C(=O)N)CCC(O)(C)C | 10.1021/jm300682j | ||
| 457875 | 5158 | 1 | None | -22 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| CHEMBL106247 | 5158 | 1 | None | -22 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 482 | 4 | 0 | 2 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Cc3ccc(Br)cc3)CC2)CC1 | 10.1021/jm0200815 | ||
| 44267754 | 15084 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.1 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12115 | 15084 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.1 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44267714 | 96926 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 427 | 6 | 0 | 5 | 4.7 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccno4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL269645 | 96926 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 427 | 6 | 0 | 5 | 4.7 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccno4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 4601 | 205020 | 29 | None | -2 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL1201023 | 205020 | 29 | None | -2 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| CHEMBL900 | 205020 | 29 | None | -2 | 17 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | nan | ||
| 73350398 | 89368 | 0 | None | -12 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 8 | 0 | 4 | 5.0 | CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377262 | 89368 | 0 | None | -12 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 363 | 8 | 0 | 4 | 5.0 | CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 | 10.1016/j.bmc.2013.01.072 | ||
| 15678859 | 102302 | 0 | None | -1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 436 | 8 | 2 | 6 | 2.4 | NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL305197 | 102302 | 0 | None | -1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 436 | 8 | 2 | 6 | 2.4 | NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 71463061 | 83381 | 0 | None | -1 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205813 | 83381 | 0 | None | -1 | 9 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 2.0 | COc1cccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)c1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 156015968 | 177670 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648657 | 177670 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650620 | 177670 | 0 | None | -2 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10874119 | 4838 | 0 | None | -18 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104574 | 4838 | 0 | None | -18 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 454 | 4 | 1 | 5 | 5.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(C(=O)OCc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 10862395 | 4957 | 0 | None | -338 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105148 | 4957 | 0 | None | -338 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 406 | 4 | 1 | 5 | 4.4 | CCOC(=O)c1c(CC)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44312468 | 202881 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73145 | 202881 | 0 | None | 1 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 402 | 5 | 0 | 5 | 3.4 | CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44443732 | 93803 | 0 | None | -41 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 7 | 2 | 3 | 3.5 | CC(C)=CCCN1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL250030 | 93803 | 0 | None | -41 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 382 | 7 | 2 | 3 | 3.5 | CC(C)=CCCN1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| 15050940 | 102354 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 1.6 | C#CCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL305501 | 102354 | 0 | None | 1 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 1.6 | C#CCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 13773338 | 79179 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2114395 | 79179 | 0 | None | - | 1 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 13773338 | 79179 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2114395 | 79179 | 0 | None | - | 1 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 44382125 | 119910 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 9 | 0 | 7 | 3.6 | CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL353689 | 119910 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 536 | 9 | 0 | 7 | 3.6 | CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 164617650 | 187936 | 0 | None | 5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4860171 | 187936 | 0 | None | 5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028445 | 187936 | 0 | None | 5 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 676 | 13 | 8 | 9 | -0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156014875 | 177666 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4640846 | 177666 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650577 | 177666 | 0 | None | 1 | 5 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 46227413 | 14025 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198087 | 14025 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL595265 | 14025 | 0 | None | -1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| 44267728 | 14578 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 530 | 8 | 0 | 4 | 7.3 | CCOc1ccc2c(C(=O)N3CCC(N4CCC(Cc5ccc(SC(C)C)cc5)CC4)CC3)cccc2c1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12064 | 14578 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 530 | 8 | 0 | 4 | 7.3 | CCOc1ccc2c(C(=O)N3CCC(N4CCC(Cc5ccc(SC(C)C)cc5)CC4)CC3)cccc2c1 | 10.1016/s0960-894x(02)00096-3 | ||
| 2028 | 2931 | 77 | None | -5 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| 359 | 2931 | 77 | None | -5 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| 4634 | 2931 | 77 | None | -5 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| CHEMBL1231 | 2931 | 77 | None | -5 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| DB01062 | 2931 | 77 | None | -5 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1021/jm050099q | ||
| 44382652 | 58717 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 7 | 0 | 8 | 3.3 | CC(C)S(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL169313 | 58717 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 7 | 0 | 8 | 3.3 | CC(C)S(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 90645361 | 112318 | 0 | None | -7 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 4.8 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298601 | 112318 | 0 | None | -7 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 4.8 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3307123 | 112318 | 0 | None | -7 | 3 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 412 | 3 | 1 | 4 | 4.8 | C[N+]12CCC(OC(=O)Nc3ncsc3-c3cccc(C(F)(F)F)c3)(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 10373706 | 57108 | 0 | None | -2 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 959 | 31 | 2 | 10 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL165220 | 57108 | 0 | None | -2 | 4 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 959 | 31 | 2 | 10 | 10.2 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm0155594 | ||
| 44324848 | 205053 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 604 | 7 | 0 | 8 | 5.9 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL90199 | 205053 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 604 | 7 | 0 | 8 | 5.9 | CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCCS3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 154734599 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 327 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 4108 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| CHEMBL27673 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00075a032 | ||
| 71741394 | 120322 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323287 | 120322 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558239 | 120322 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 154734599 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 327 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 4108 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL27673 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/0960-894X(95)00113-8 | ||
| 154734599 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 327 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 4108 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| CHEMBL27673 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm00046a021 | ||
| 164611187 | 187886 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4851265 | 187886 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028060 | 187886 | 0 | None | 2 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 732 | 17 | 8 | 9 | 1.3 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 6338102 | 99999 | 1 | None | 20 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL290723 | 99999 | 1 | None | 20 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL59587 | 99999 | 1 | None | 20 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 11552283 | 71346 | 0 | None | -15 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 3 | 0 | 4 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL196481 | 71346 | 0 | None | -15 | 3 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 362 | 3 | 0 | 4 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 | 10.1021/jm050099q | ||
| 137630667 | 160545 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4100938 | 160545 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116890 | 160545 | 0 | None | -6 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 204 | 3 | 0 | 1 | 2.7 | C[N+](C)(C)CCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 11796409 | 38155 | 0 | None | -89 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL146351 | 38155 | 0 | None | -89 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| 155515982 | 169443 | 0 | None | -56234 | 17 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4442460 | 169443 | 0 | None | -56234 | 17 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 473 | 10 | 2 | 5 | 4.1 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 137629919 | 160462 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CCC(C[N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4095626 | 160462 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CCC(C[N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116258 | 160462 | 0 | None | 1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 234 | 3 | 0 | 1 | 2.5 | COc1cccc2c1CCC(C[N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10386 | 160621 | 13 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4092348 | 160621 | 13 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117554 | 160621 | 13 | None | -1 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 180 | 3 | 1 | 1 | 1.6 | C[N+](C)(C)CCc1cccc(O)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 10810094 | 119055 | 0 | None | -52 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 384 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL345985 | 119055 | 0 | None | -52 | 3 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 384 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(CC2CCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 9976808 | 102967 | 0 | None | -11 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084892 | 102967 | 0 | None | -11 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| 156015895 | 177706 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4643290 | 177706 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650874 | 177706 | 0 | None | 1 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 993 | 21 | 2 | 8 | 10.7 | CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 44627742 | 196700 | 0 | None | -10 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL576707 | 196700 | 0 | None | -10 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 323 | 4 | 0 | 2 | 5.8 | CN1CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 44593623 | 187297 | 0 | None | -3 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496503 | 187297 | 0 | None | -3 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539373 | 187297 | 0 | None | -3 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44450622 | 95389 | 0 | None | 4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258907 | 95389 | 0 | None | 4 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 44274432 | 79717 | 0 | None | 3 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21328 | 79717 | 0 | None | 3 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 58438475 | 91841 | 0 | None | -1548 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426677 | 91841 | 0 | None | -1548 | 2 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 24894635 | 169240 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL443939 | 169240 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL527880 | 169240 | 0 | None | 1 | 5 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| 44443721 | 93827 | 0 | None | -14 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 6 | 2 | 3 | 3.3 | O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL250203 | 93827 | 0 | None | -14 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 390 | 6 | 2 | 3 | 3.3 | O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 11012653 | 120307 | 0 | None | 6 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355769 | 120307 | 0 | None | 6 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 320 | 6 | 0 | 2 | 4.9 | CC(C1=C(CCN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 164617938 | 187941 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854179 | 187941 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028470 | 187941 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10969696 | 131583 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL369575 | 131583 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 334 | 5 | 0 | 3 | 3.9 | CC(C1=C(CCN2CCOCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44593621 | 192694 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524061 | 192694 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10160219 | 4861 | 0 | None | -1445 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104693 | 4861 | 0 | None | -1445 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 5.5 | CCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 72190451 | 91844 | 0 | None | -524 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426680 | 91844 | 0 | None | -524 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 24894632 | 188830 | 2 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL513277 | 188830 | 2 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc(C2CCCN2C)o1 | 10.1021/jm800145d | ||
| 10020614 | 203059 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 10 | 0 | 4 | 3.8 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL74736 | 203059 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 347 | 10 | 0 | 4 | 3.8 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1 | 10.1021/jm00041a006 | ||
| 13773342 | 79272 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2115341 | 79272 | 0 | None | - | 1 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4520788 | 212225 | 6 | None | -69 | 25 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 | nan | ||||
| 10870954 | 119804 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL352779 | 119804 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 44384327 | 59477 | 0 | None | 10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.2 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL172646 | 59477 | 0 | None | 10 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.2 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 71457690 | 83384 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205817 | 83384 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1cccnc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 9976807 | 102960 | 0 | None | -36 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084884 | 102960 | 0 | None | -36 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| 71455894 | 83388 | 0 | None | -1 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205827 | 83388 | 0 | None | -1 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmcl.2012.08.046 | ||
| 71455894 | 83388 | 0 | None | -1 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205827 | 83388 | 0 | None | -1 | 12 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 325 | 4 | 1 | 4 | 2.0 | COc1ccc(CN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1OC | 10.1016/j.bmc.2013.07.045 | ||
| 10336462 | 102959 | 0 | None | -13 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084883 | 102959 | 0 | None | -13 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 325 | 4 | 0 | 2 | 4.6 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| 44295789 | 188848 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 6 | 1 | 3 | 5.6 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC4CCCCC4)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51339 | 188848 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 6 | 1 | 3 | 5.6 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC4CCCCC4)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 14964496 | 8876 | 0 | None | 1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL109815 | 8876 | 0 | None | 1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 11561621 | 200118 | 0 | None | -15 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccsc1 | 10.1021/jm050099q | ||
| CHEMBL606903 | 200118 | 0 | None | -15 | 3 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccsc1 | 10.1021/jm050099q | ||
| 9894922 | 119788 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 598 | 8 | 0 | 8 | 4.1 | O=S(=O)(c1ccc(OC2CCN(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1)c1ccc2c(c1)OCO2 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL352660 | 119788 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 598 | 8 | 0 | 8 | 4.1 | O=S(=O)(c1ccc(OC2CCN(C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1)c1ccc2c(c1)OCO2 | 10.1016/s0960-894x(01)00100-7 | ||
| 154734599 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm970740r | ||
| 327 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm970740r | ||
| 4108 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm970740r | ||
| CHEMBL27673 | 2467 | 8 | None | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm970740r | ||
| 54757332 | 67582 | 0 | None | -7 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 9 | 1 | 3 | 4.4 | NC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1 | 10.1021/jm200884j | ||
| CHEMBL1910845 | 67582 | 0 | None | -7 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 414 | 9 | 1 | 3 | 4.4 | NC(=O)C(CCCN1CC[C@H](Oc2ccccc2)C1)(c1ccccc1)c1ccccc1 | 10.1021/jm200884j | ||
| 410345 | 89373 | 3 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 333 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377269 | 89373 | 3 | None | -1 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 333 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 11748799 | 164859 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL423831 | 164859 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.3 | CN(C)CCC1=C(C(C)(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 10226457 | 12866 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL1189471 | 12866 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL538793 | 12866 | 0 | None | -3 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 423 | 15 | 0 | 7 | 5.1 | CC(=O)OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 9909908 | 13408 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL1193635 | 13408 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| CHEMBL545077 | 13408 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 381 | 14 | 1 | 6 | 4.5 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCO)C1 | 10.1021/jm0301235 | ||
| 11071537 | 26291 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL136027 | 26291 | 0 | None | 1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 17 | 0 | 10 | 5.5 | COc1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 302 | 2929 | 23 | None | -3 | 7 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00095a008 | ||
| 4630 | 2929 | 23 | None | -3 | 7 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00095a008 | ||
| CHEMBL7634 | 2929 | 23 | None | -3 | 7 | Mouse | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00095a008 | ||
| 44267695 | 10624 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 7 | 1 | 4 | 5.6 | O=C(O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11710 | 10624 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 7 | 1 | 4 | 5.6 | O=C(O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 14964507 | 113856 | 1 | None | -5 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL333107 | 113856 | 1 | None | -5 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 303 | 2930 | 16 | None | 1 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 4629 | 2930 | 16 | None | 1 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 8595 | 2930 | 16 | None | 1 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL44674 | 2930 | 16 | None | 1 | 6 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 14685523 | 37521 | 2 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 177 | 1 | 0 | 2 | 2.1 | c1coc(C2CN3CCC2CC3)c1 | 10.1021/jm00003a011 | ||
| CHEMBL14580 | 37521 | 2 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 177 | 1 | 0 | 2 | 2.1 | c1coc(C2CN3CCC2CC3)c1 | 10.1021/jm00003a011 | ||
| 15196236 | 118695 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| CHEMBL343236 | 118695 | 0 | None | -3 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| 44415886 | 79425 | 0 | None | -630 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 607 | 8 | 2 | 4 | 4.3 | CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL212141 | 79425 | 0 | None | -630 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 607 | 8 | 2 | 4 | 4.3 | CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 44309108 | 102620 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 372 | 4 | 3 | 3 | 3.6 | O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL307554 | 102620 | 0 | None | -52 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 372 | 4 | 3 | 3 | 3.6 | O=C(Nc1ccc2c(c1)CNC2)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10830843 | 202265 | 0 | None | -48 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 338 | 4 | 3 | 3 | 2.2 | O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69383 | 202265 | 0 | None | -48 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 338 | 4 | 3 | 3 | 2.2 | O=C(NC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44308799 | 202331 | 0 | None | -19 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 3.5 | CN(C)CCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69765 | 202331 | 0 | None | -19 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 394 | 6 | 1 | 3 | 3.5 | CN(C)CCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44285557 | 99690 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.7 | C[C@H]1CCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL287834 | 99690 | 0 | None | -1 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 181 | 0 | 0 | 2 | 1.7 | C[C@H]1CCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 137636830 | 160677 | 0 | None | -2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 220 | 4 | 0 | 1 | 2.5 | COc1cccc(C2CC2C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4061384 | 160677 | 0 | None | -2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 220 | 4 | 0 | 1 | 2.5 | COc1cccc(C2CC2C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117956 | 160677 | 0 | None | -2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 220 | 4 | 0 | 1 | 2.5 | COc1cccc(C2CC2C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 73356869 | 91836 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C(c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426672 | 91836 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C(c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 118710660 | 120318 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323279 | 120318 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558230 | 120318 | 0 | None | 2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 11740181 | 102950 | 0 | None | -281 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084873 | 102950 | 0 | None | -281 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 375 | 4 | 0 | 2 | 5.4 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2 | 10.1021/jm00020a006 | ||
| 44274468 | 80194 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21508 | 80194 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 276 | 4 | 0 | 2 | 4.0 | CN(C)CCC1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 13773336 | 79273 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2115342 | 79273 | 0 | None | - | 1 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 10025038 | 168261 | 0 | None | -26 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.3 | CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL437781 | 168261 | 0 | None | -26 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.3 | CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| 164626977 | 188014 | 0 | None | 4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4874412 | 188014 | 0 | None | 4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028969 | 188014 | 0 | None | 4 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.9 | NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 4189 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | ||
| 72190452 | 91846 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426682 | 91846 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 145961126 | 161005 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128764 | 161005 | 0 | None | -2 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 11523051 | 95842 | 0 | None | 2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2093084 | 95842 | 0 | None | 2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL261194 | 95842 | 0 | None | 2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 45266386 | 193247 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL541424 | 193247 | 0 | None | 1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 23352279 | 205846 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.0 | CC(=O)c1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL94921 | 205846 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 233 | 2 | 0 | 3 | 3.0 | CC(=O)c1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| 15105211 | 172307 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 332 | 11 | 0 | 3 | 3.8 | CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL451542 | 172307 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 332 | 11 | 0 | 3 | 3.8 | CCN(CC)CCOCCN(C)CC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 16125398 | 84693 | 0 | None | -20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 442 | 7 | 1 | 2 | 4.3 | C[N+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL224783 | 84693 | 0 | None | -20 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 442 | 7 | 1 | 2 | 4.3 | C[N+]1(CCOc2ccccc2)CC[C@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 9969695 | 160341 | 0 | None | -15 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 3.7 | COC(C#C[C@@]1(OC)CN2CCC1CC2)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL411514 | 160341 | 0 | None | -15 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 3.7 | COC(C#C[C@@]1(OC)CN2CCC1CC2)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.024 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1016/j.bmcl.2007.11.073 | ||
| 145961495 | 160899 | 0 | None | -2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4127373 | 160899 | 0 | None | -2 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 11536903 | 2365 | 56 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.03.084 | ||
| 3262 | 2365 | 56 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.03.084 | ||
| CHEMBL3770346 | 2365 | 56 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.03.084 | ||
| 16094810 | 137360 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| CHEMBL376295 | 137360 | 0 | None | -1 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsnc1OCCCOCCCOCCCOc1nsnc1-c1cccnc1 | 10.1021/jm0606995 | ||
| 71456285 | 79185 | 0 | None | 1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2114426 | 79185 | 0 | None | 1 | 2 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| 24865895 | 95559 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL259662 | 95559 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL390842 | 95559 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 24865895 | 95559 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL259662 | 95559 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL390842 | 95559 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 44274433 | 99050 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL283320 | 99050 | 0 | None | 1 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 24894516 | 172139 | 0 | None | 2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL450463 | 172139 | 0 | None | 2 | 5 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 15196233 | 120602 | 0 | None | -2 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 233 | 2 | 1 | 3 | 1.6 | COc1ccccc1C1(O)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL357404 | 120602 | 0 | None | -2 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 233 | 2 | 1 | 3 | 1.6 | COc1ccccc1C1(O)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 44378753 | 119776 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 467 | 6 | 0 | 6 | 4.4 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL352607 | 119776 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 467 | 6 | 0 | 6 | 4.4 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)C[C@@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00023-9 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.09.079 | ||
| 3042 | 1386 | 31 | None | -28 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 355 | 1386 | 31 | None | -28 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 868 | 1386 | 31 | None | -28 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| CHEMBL1123 | 1386 | 31 | None | -28 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| DB00804 | 1386 | 31 | None | -28 | 15 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | nan | ||
| 44392933 | 165750 | 0 | None | 4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.3 | C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL427145 | 165750 | 0 | None | 4 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.3 | C[C@H]1CCC[C@H](CC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)N1 | 10.1016/j.bmcl.2004.05.047 | ||
| 118710660 | 120318 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323279 | 120318 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558230 | 120318 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 118710662 | 120317 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323280 | 120317 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558229 | 120317 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 56965018 | 76828 | 0 | None | -7 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042552 | 76828 | 0 | None | -7 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078967 | 76828 | 0 | None | -7 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 164621443 | 187969 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4867483 | 187969 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028653 | 187969 | 0 | None | 5 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015141 | 177692 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4642045 | 177692 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650774 | 177692 | 0 | None | -1 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 668 | 11 | 1 | 4 | 8.2 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.6b01892 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 15196236 | 118695 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| CHEMBL343236 | 118695 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 229 | 1 | 0 | 2 | 2.3 | c1ccc2c(c1)CC(C1CN3CCC1CC3)O2 | 10.1021/jm00003a011 | ||
| 199230 | 162585 | 18 | None | 37 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| CHEMBL41779 | 162585 | 18 | None | 37 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| 6098192 | 200116 | 11 | None | -3 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606901 | 200116 | 11 | None | -3 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL306462 | 102492 | 0 | None | -1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 211 | 2 | 1 | 4 | 1.1 | CCO/C(O)=C1\CN2CCCC(C2)C1=O | 10.1021/jm020572p | ||
| 44318930 | 105691 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| CHEMBL313738 | 105691 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| 53391301 | 91842 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426678 | 91842 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 462902 | 119348 | 1 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL348667 | 119348 | 1 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 6 | 3.7 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10660 | 14298 | 55 | None | -4 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| CHEMBL1200406 | 14298 | 55 | None | -4 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 469 | 6 | 1 | 7 | 3.0 | CN(C)CCOC(c1ccccc1)c1ccccc1.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O | nan | ||
| 24894109 | 188441 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL509202 | 188441 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL551563 | 188441 | 0 | None | 1 | 5 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 162353376 | 179846 | 0 | None | 3 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752380 | 179846 | 0 | None | 3 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 274 | 3 | 1 | 3 | 1.4 | O=C(CCN1CCCc2ccccc21)N1CCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 14925759 | 157494 | 6 | None | -5754 | 13 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4085780 | 157494 | 6 | None | -5754 | 13 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 349 | 5 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 46227415 | 14014 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198050 | 14014 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593871 | 14014 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| 16125683 | 84227 | 0 | None | -36 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 431 | 5 | 1 | 2 | 5.5 | Cc1cccc(CN2CCC(N3CC(c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| CHEMBL222403 | 84227 | 0 | None | -36 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 431 | 5 | 1 | 2 | 5.5 | Cc1cccc(CN2CCC(N3CC(c4ccccc4)(C4CCCCC4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| 939078 | 62740 | 2 | None | -12 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| CHEMBL1788286 | 62740 | 2 | None | -12 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| 2562 | 202893 | 47 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL1256696 | 202893 | 47 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL73234 | 202893 | 47 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 462573 | 29316 | 1 | None | -316 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL138502 | 29316 | 1 | None | -316 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1cncc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 16125506 | 84355 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 7 | 1 | 2 | 5.1 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCCc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL223187 | 84355 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 439 | 7 | 1 | 2 | 5.1 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCCc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 463210 | 164363 | 1 | None | -15 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 561 | 4 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL422326 | 164363 | 1 | None | -15 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 561 | 4 | 0 | 5 | 4.5 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 135398737 | 944 | 89 | None | -22 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 38 | 944 | 89 | None | -22 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 722 | 944 | 89 | None | -22 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| CHEMBL42 | 944 | 89 | None | -22 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| DB00363 | 944 | 89 | None | -22 | 91 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | nan | ||
| 9968046 | 196486 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL57485 | 196486 | 0 | None | 3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 44450637 | 154657 | 0 | None | 12 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL402473 | 154657 | 0 | None | 12 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 162353379 | 180380 | 0 | None | 2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758449 | 180380 | 0 | None | 2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 244 | 3 | 0 | 2 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44386115 | 130916 | 0 | None | -8 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL369062 | 130916 | 0 | None | -8 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 650 | 16 | 3 | 4 | 6.2 | O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 44295977 | 192129 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 536 | 6 | 0 | 4 | 5.7 | CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL52203 | 192129 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 536 | 6 | 0 | 4 | 5.7 | CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44267762 | 15264 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 6 | 0 | 4 | 5.6 | CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12150 | 15264 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 518 | 6 | 0 | 4 | 5.6 | CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 9889312 | 78021 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | 2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44312066 | 163829 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 7 | 0 | 4 | 6.4 | COc1ccc([S+]([O-])c2ccc(C(C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL421304 | 163829 | 0 | None | 3 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 494 | 7 | 0 | 4 | 6.4 | COc1ccc([S+]([O-])c2ccc(C(C3CCCCC3)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 71459971 | 79129 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114066 | 79129 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44627852 | 13925 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197387 | 13925 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569712 | 13925 | 0 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 338 | 4 | 0 | 1 | 5.9 | C[N+]1(C)CCCC1c1ccc(C(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10314131 | 102949 | 0 | None | -8 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(O)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084872 | 102949 | 0 | None | -8 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 323 | 4 | 1 | 3 | 4.1 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(O)cc1)C2 | 10.1021/jm00020a006 | ||
| 164627575 | 188023 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4873979 | 188023 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029004 | 188023 | 0 | None | 12 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 859 | 21 | 8 | 11 | 1.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593625 | 187547 | 0 | None | -5 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498358 | 187547 | 0 | None | -5 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539120 | 187547 | 0 | None | -5 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44383415 | 120253 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 530 | 8 | 0 | 8 | 3.1 | CCOCC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL355299 | 120253 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 530 | 8 | 0 | 8 | 3.1 | CCOCC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 11819545 | 37173 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccoc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145488 | 37173 | 0 | None | -1 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccoc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 11819883 | 120478 | 2 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2ccsc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL356321 | 120478 | 2 | None | -2 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2ccsc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 46878242 | 200126 | 0 | None | -154 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606962 | 200126 | 0 | None | -154 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@H](O)c2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 146025727 | 171119 | 0 | None | -63 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4466483 | 171119 | 0 | None | -63 | 27 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 411 | 3 | 0 | 5 | 6.4 | FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 44328561 | 205635 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 243 | 3 | 0 | 3 | 2.5 | COc1ccccc1C(=O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL93709 | 205635 | 0 | None | -4 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 243 | 3 | 0 | 3 | 2.5 | COc1ccccc1C(=O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| 10105296 | 204206 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| CHEMBL84113 | 204206 | 0 | None | -2 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| 155552185 | 173489 | 0 | None | -30902 | 16 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| CHEMBL4544086 | 173489 | 0 | None | -30902 | 16 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 491 | 10 | 2 | 5 | 4.3 | COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1 | 10.1021/acs.jmedchem.9b01085 | ||
| 45786849 | 157263 | 28 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4083241 | 157263 | 28 | None | -1 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 192 | 3 | 1 | 3 | 1.4 | c1cncc(COC2CCCNC2)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 10718110 | 39675 | 0 | None | -1905 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 443 | 6 | 2 | 4 | 3.8 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| CHEMBL147778 | 39675 | 0 | None | -1905 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 443 | 6 | 2 | 4 | 3.8 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| 10671167 | 120985 | 0 | None | -602 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 448 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL358289 | 120985 | 0 | None | -602 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 448 | 6 | 2 | 3 | 4.9 | O=C(NC1CCN(CC2CCCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 190868 | 13031 | 2 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 4.8 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL1190617 | 13031 | 2 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 4.8 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL541284 | 13031 | 2 | None | -1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 422 | 7 | 0 | 5 | 4.8 | O=C(OCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00039a008 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/j.bmc.2008.06.025 | ||
| 73346332 | 92103 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432041 | 92103 | 0 | None | 1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 297 | 3 | 0 | 2 | 2.6 | CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 44299616 | 194035 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL55698 | 194035 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 92218234 | 120314 | 1 | None | 12 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL3309718 | 120314 | 1 | None | 12 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL3558072 | 120314 | 1 | None | 12 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 160 | 2 | 0 | 2 | 0.1 | C[N+](C)(C)C[C@@H]1COCCO1 | 10.1016/j.bmcl.2014.06.020 | ||
| 46227411 | 14006 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198027 | 14006 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593443 | 14006 | 0 | None | 2 | 3 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| 15678857 | 202334 | 0 | None | 1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 6 | 2 | 6 | 1.7 | NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL69796 | 202334 | 0 | None | 1 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 408 | 6 | 2 | 6 | 1.7 | NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 156010212 | 177662 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634066 | 177662 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650562 | 177662 | 0 | None | -4 | 5 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COC(c2ccccc2)(c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 137635734 | 155571 | 0 | None | -61 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4063176 | 155571 | 0 | None | -61 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 377 | 7 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44296007 | 101494 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 529 | 5 | 1 | 3 | 6.1 | CC(C)(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL301354 | 101494 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 529 | 5 | 1 | 3 | 6.1 | CC(C)(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44267703 | 14789 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 5.0 | NC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12085 | 14789 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 7 | 1 | 4 | 5.0 | NC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44344029 | 10025 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 632 | 7 | 0 | 7 | 5.8 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL115642 | 10025 | 0 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 632 | 7 | 0 | 7 | 5.8 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 15050957 | 201900 | 0 | None | 1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 3.8 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL66914 | 201900 | 0 | None | 1 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 566 | 9 | 1 | 7 | 3.8 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 118710660 | 120318 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323279 | 120318 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558230 | 120318 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 118710660 | 120318 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323279 | 120318 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558230 | 120318 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 14939895 | 81707 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201997 | 81707 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL216629 | 81707 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 993 | 30 | 3 | 11 | 10.1 | COc1ccccc1CNCCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 10404824 | 102956 | 0 | None | -4 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 337 | 5 | 0 | 3 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084880 | 102956 | 0 | None | -4 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 337 | 5 | 0 | 3 | 4.4 | COc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| 44392906 | 12154 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 1 | 0 | 3 | 4.0 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL1184677 | 12154 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 1 | 0 | 3 | 4.0 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL363895 | 12154 | 0 | None | 4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 360 | 1 | 0 | 3 | 4.0 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 55005 | 104296 | 7 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL310852 | 104296 | 7 | None | -1 | 3 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 11610557 | 71687 | 0 | None | -85 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL197588 | 71687 | 0 | None | -85 | 3 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 10619926 | 39563 | 0 | None | -35 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 6 | 2 | 4 | 3.4 | O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL147672 | 39563 | 0 | None | -35 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 382 | 6 | 2 | 4 | 3.4 | O=C(NC1CCN(Cc2ccoc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 176 | 394 | 63 | None | -2 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 394 | 63 | None | -2 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 394 | 63 | None | -2 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 394 | 63 | None | -2 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 394 | 63 | None | -2 | 31 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 10033774 | 56252 | 0 | None | -4 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 927 | 31 | 0 | 8 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL163901 | 56252 | 0 | None | -4 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 927 | 31 | 0 | 8 | 12.0 | CN(CCCCCCCCN(C)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1)CCCCCCN1CCC(OC(=O)C(c2ccccc2)c2ccccc2)CC1 | 10.1016/0960-894X(95)00113-8 | ||
| 16125257 | 144143 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 3 | 1 | 1 | 3.2 | C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1 | 10.1021/jm061160+ | ||
| CHEMBL390839 | 144143 | 0 | None | -7 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 350 | 3 | 1 | 1 | 3.2 | C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1 | 10.1021/jm061160+ | ||
| 57326142 | 76827 | 0 | None | 4 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042401 | 76827 | 0 | None | 4 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078965 | 76827 | 0 | None | 4 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 46227457 | 14019 | 0 | None | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198075 | 14019 | 0 | None | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594801 | 14019 | 0 | None | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 16125621 | 83945 | 0 | None | -22 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 2 | 3 | 4.2 | Nc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| CHEMBL221829 | 83945 | 0 | None | -22 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 426 | 5 | 2 | 3 | 4.2 | Nc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| 44383064 | 119801 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 381 | 4 | 0 | 3 | 4.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL352756 | 119801 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 381 | 4 | 0 | 3 | 4.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 10807270 | 99991 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 342 | 3 | 1 | 3 | 3.8 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 | 10.1021/jm970333f | ||
| CHEMBL290675 | 99991 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 342 | 3 | 1 | 3 | 3.8 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCCC1 | 10.1021/jm970333f | ||
| 162667844 | 181951 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787283 | 181951 | 0 | None | -1 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | Cc1ccc2c(c1)CCCN2CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 16124707 | 137618 | 0 | None | -67 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 441 | 5 | 1 | 4 | 4.9 | O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2cccc(F)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL376781 | 137618 | 0 | None | -67 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 441 | 5 | 1 | 4 | 4.9 | O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2cccc(F)c2)CC1 | 10.1021/jm061159a | ||
| 44382841 | 59090 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL170977 | 59090 | 0 | None | -1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 43815 | 186337 | 58 | None | -15 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL1708 | 186337 | 58 | None | -15 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| CHEMBL490 | 186337 | 58 | None | -15 | 24 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | nan | ||
| 5648 | 78002 | 7 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2107687 | 78002 | 7 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| CHEMBL2111176 | 78002 | 7 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | nan | ||
| 16086063 | 80150 | 0 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL214898 | 80150 | 0 | None | -100 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 744 | 11 | 2 | 5 | 5.8 | O=C(NCC1CCN(CC2CCCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 71741394 | 120322 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323287 | 120322 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558239 | 120322 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 164613685 | 187905 | 0 | None | 7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4861655 | 187905 | 0 | None | 7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028207 | 187905 | 0 | None | 7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 15157138 | 99164 | 0 | None | -6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 345 | 9 | 0 | 3 | 4.8 | CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL284137 | 99164 | 0 | None | -6 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 345 | 9 | 0 | 3 | 4.8 | CCN(CC)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 155557119 | 175937 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4555411 | 175937 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4596899 | 175937 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 155557119 | 175937 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4555411 | 175937 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596899 | 175937 | 0 | None | 1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 868 | 17 | 7 | 8 | 5.1 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 10155850 | 96294 | 0 | None | -9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.0 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL264414 | 96294 | 0 | None | -9 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.0 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 44627860 | 13921 | 0 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197371 | 13921 | 0 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL568870 | 13921 | 0 | None | -2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10789183 | 103888 | 0 | None | -25 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 438 | 5 | 0 | 2 | 6.3 | O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL310132 | 103888 | 0 | None | -25 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 438 | 5 | 0 | 2 | 6.3 | O=C(c1ccccc1)N(c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44319009 | 106453 | 0 | None | -15 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 5 | 0 | 2 | 5.2 | O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL314831 | 106453 | 0 | None | -15 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 426 | 5 | 0 | 2 | 5.2 | O=C(C1CCC1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44318782 | 204413 | 0 | None | -63 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 482 | 5 | 0 | 2 | 6.4 | O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85996 | 204413 | 0 | None | -63 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 482 | 5 | 0 | 2 | 6.4 | O=C(c1ccc(Cl)cc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 154734599 | 2467 | 8 | None | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 327 | 2467 | 8 | None | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 4108 | 2467 | 8 | None | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| CHEMBL27673 | 2467 | 8 | None | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm981038d | ||
| 44318851 | 104247 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL310558 | 104247 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 164608958 | 187876 | 0 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846447 | 187876 | 0 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027936 | 187876 | 0 | None | 7 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 14964511 | 11995 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL1183954 | 11995 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL325473 | 11995 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| 10465050 | 35958 | 2 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2ccccn2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144493 | 35958 | 2 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2ccccn2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 162353393 | 178859 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4740422 | 178859 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 5 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NCc1cccc(F)c1 | 10.1016/j.bmcl.2020.127632 | ||
| 137661377 | 158663 | 0 | None | -363 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4098720 | 158663 | 0 | None | -363 | 8 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 6 | 0 | 2 | 3.9 | CCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 24894630 | 188382 | 0 | None | 2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL508347 | 188382 | 0 | None | 2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL555475 | 188382 | 0 | None | 2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc(C2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 156016047 | 177685 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4647816 | 177685 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650722 | 177685 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44267758 | 12274 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 6 | 0 | 3 | 6.4 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11856 | 12274 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 470 | 6 | 0 | 3 | 6.4 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4Cl)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44400218 | 67287 | 0 | None | -2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.6 | COc1ccc(C(O)(C(=O)OCC#CCN2CC3CC3C2)C2CCCC2)cc1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL190459 | 67287 | 0 | None | -2 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 5 | 2.6 | COc1ccc(C(O)(C(=O)OCC#CCN2CC3CC3C2)C2CCCC2)cc1 | 10.1016/j.bmcl.2005.02.036 | ||
| 73352415 | 92106 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432044 | 92106 | 0 | None | 1 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 293 | 4 | 0 | 2 | 2.5 | CN(CCc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 44593622 | 187213 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL495888 | 187213 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL556390 | 187213 | 0 | None | 1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 156015809 | 177743 | 0 | None | 5 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645019 | 177743 | 0 | None | 5 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651096 | 177743 | 0 | None | 5 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11833737 | 119833 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352966 | 119833 | 0 | None | -1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 73347725 | 91838 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 6 | 0 | 5 | 4.5 | COc1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ncccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426674 | 91838 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 476 | 6 | 0 | 5 | 4.5 | COc1ccc(CC(=O)N2CCC3(CC2)CN(Cc2ccc(-c4ncccn4)cc2Cl)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 24894633 | 176326 | 0 | None | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| CHEMBL461709 | 176326 | 0 | None | 1 | 5 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 165 | 1 | 0 | 2 | 2.4 | Cc1ccc([C@H]2CCCN2C)o1 | 10.1021/jm800145d | ||
| 73355415 | 92101 | 0 | None | 1 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432039 | 92101 | 0 | None | 1 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 277 | 3 | 1 | 1 | 2.1 | C1C2C3CC4C2C2C1C3[C@H](NCC13C5C6C7C5C1C7C63)C42 | 10.1016/j.bmc.2013.07.045 | ||
| 10852782 | 167717 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 3 | 1 | 3 | 3.0 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 | 10.1021/jm970333f | ||
| CHEMBL43398 | 167717 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 314 | 3 | 1 | 3 | 3.0 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCC1 | 10.1021/jm970333f | ||
| 5281825 | 107062 | 11 | None | 1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL318849 | 107062 | 11 | None | 1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| 44329347 | 206348 | 0 | None | 1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)N1C | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL97765 | 206348 | 0 | None | 1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]3CCCC[C@H]32)N1C | 10.1016/s0960-894x(02)00566-8 | ||
| 11504244 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 60138185 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3121474 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3140249 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 156010398 | 177661 | 0 | None | 7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633895 | 177661 | 0 | None | 7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650561 | 177661 | 0 | None | 7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156011112 | 177700 | 0 | None | 4 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633679 | 177700 | 0 | None | 4 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650842 | 177700 | 0 | None | 4 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Sc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 145960427 | 160903 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4127428 | 160903 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@@]1(C(=O)O[C@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 42853214 | 204728 | 0 | None | -7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 5.1 | O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL88078 | 204728 | 0 | None | -7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 5 | 0 | 3 | 5.1 | O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 25025581 | 200311 | 0 | None | -3 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| CHEMBL608151 | 200311 | 0 | None | -3 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 285 | 4 | 1 | 2 | 3.1 | CCOC[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1 | 10.1021/jm901818u | ||
| 10663237 | 146694 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 5 | 1 | 3 | 3.3 | CCN(CC)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | 10.1021/jm970333f | ||
| CHEMBL39284 | 146694 | 0 | None | - | 1 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 316 | 5 | 1 | 3 | 3.3 | CCN(CC)CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | 10.1021/jm970333f | ||
| 71459909 | 78205 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 444 | 5 | 0 | 3 | 6.4 | O=C(c1cccs1)N(c1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL2112313 | 78205 | 0 | None | -3 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 444 | 5 | 0 | 3 | 6.4 | O=C(c1cccs1)N(c1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 73350846 | 91834 | 0 | None | 1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426670 | 91834 | 0 | None | 1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 46227455 | 14055 | 0 | None | 4 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198609 | 14055 | 0 | None | 4 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL608985 | 14055 | 0 | None | 4 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1O[C@H](C[N+](C)(C)C)CO[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| 44406573 | 72628 | 0 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200693 | 72628 | 0 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#CC(O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406690 | 74644 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 3 | 1 | 5 | 1.8 | COC1(C#CC(O)(c2ccccc2)c2cncnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL203249 | 74644 | 0 | None | -1 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 349 | 3 | 1 | 5 | 1.8 | COC1(C#CC(O)(c2ccccc2)c2cncnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 9871871 | 120245 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 536 | 7 | 0 | 8 | 2.9 | CCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL355169 | 120245 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 536 | 7 | 0 | 8 | 2.9 | CCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 9843814 | 126727 | 0 | None | 25 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 9 | 1 | 5 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL36583 | 126727 | 0 | None | 25 | 2 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 398 | 9 | 1 | 5 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)NC)cc1 | 10.1021/jm00127a020 | ||
| 44431383 | 87594 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234439 | 87594 | 0 | None | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 16125370 | 84223 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 5 | 1 | 2 | 5.0 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL222387 | 84223 | 0 | None | -2 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 5 | 1 | 2 | 5.0 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 155522355 | 175835 | 0 | None | 31 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4451030 | 175835 | 0 | None | 31 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596065 | 175835 | 0 | None | 31 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 732 | 19 | 8 | 8 | 2.3 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44295965 | 188989 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 6 | 1 | 3 | 5.7 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51459 | 188989 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 515 | 6 | 1 | 3 | 5.7 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 10470 | 2453 | 5 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 1689 | 2453 | 5 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 4057 | 2453 | 5 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL524004 | 2453 | 5 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| DB04843 | 2453 | 5 | None | -4 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 10.1016/j.bmc.2019.06.016 | ||
| 140844422 | 175867 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 490 | 8 | 1 | 3 | 5.4 | O=C(OC1C[N+]2(CCCc3cccc(Cl)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4452706 | 175867 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 490 | 8 | 1 | 3 | 5.4 | O=C(OC1C[N+]2(CCCc3cccc(Cl)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596309 | 175867 | 0 | None | 3 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 490 | 8 | 1 | 3 | 5.4 | O=C(OC1C[N+]2(CCCc3cccc(Cl)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 10104167 | 2028 | 1 | None | 13 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 6937 | 2028 | 1 | None | 13 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| CHEMBL3121473 | 2028 | 1 | None | 13 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 44311704 | 202500 | 0 | None | 53 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 510 | 7 | 0 | 5 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL70848 | 202500 | 0 | None | 53 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 510 | 7 | 0 | 5 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44311704 | 202500 | 0 | None | 53 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 510 | 7 | 0 | 5 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL70848 | 202500 | 0 | None | 53 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 510 | 7 | 0 | 5 | 4.9 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)C(C)C)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 688566 | 194210 | 21 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL558910 | 194210 | 21 | None | -1 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| 10107360 | 78497 | 25 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 273 | 5 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2SCCCF)C1 | 10.1021/jm00001a002 | ||
| CHEMBL2112939 | 78497 | 25 | None | - | 1 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 273 | 5 | 0 | 5 | 2.7 | CN1CCC=C(c2nsnc2SCCCF)C1 | 10.1021/jm00001a002 | ||
| 164614388 | 187913 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4848683 | 187913 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028251 | 187913 | 0 | None | 2 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 889 | 23 | 12 | 11 | 0.1 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44343736 | 110097 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 6.1 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6c(Cl)cccc6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL325451 | 110097 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 658 | 7 | 0 | 7 | 6.1 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6c(Cl)cccc6Cl)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 134272561 | 175853 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 7 | 1 | 3 | 4.3 | O=C(OC1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4540604 | 175853 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 7 | 1 | 3 | 4.3 | O=C(OC1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4596189 | 175853 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 7 | 1 | 3 | 4.3 | O=C(OC1C[N+]2(CCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 44627858 | 13924 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197382 | 13924 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569307 | 13924 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 16125642 | 141478 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 7 | 1 | 2 | 4.3 | C[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL387546 | 141478 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 442 | 7 | 1 | 2 | 4.3 | C[N+]1(CCOc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmc.2007.01.022 | ||
| 14939891 | 168798 | 0 | None | -3 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL442014 | 168798 | 0 | None | -3 | 4 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44296054 | 188567 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 573 | 6 | 1 | 5 | 5.3 | CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)OCCO2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51096 | 188567 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 573 | 6 | 1 | 5 | 5.3 | CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5ccc(F)c6ccccc56)CC4)CC3)OCCO2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 10119364 | 43004 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 532 | 5 | 0 | 3 | 6.7 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL150624 | 43004 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 532 | 5 | 0 | 3 | 6.7 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| 44431381 | 148489 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL394254 | 148489 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 164616974 | 187933 | 0 | None | 9 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4857722 | 187933 | 0 | None | 9 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028407 | 187933 | 0 | None | 9 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 675 | 15 | 7 | 8 | 2.2 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44378765 | 56250 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 542 | 6 | 1 | 7 | 3.5 | CCNC(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL163887 | 56250 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 542 | 6 | 1 | 7 | 3.5 | CCNC(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00023-9 | ||
| 44344030 | 10058 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 588 | 7 | 0 | 6 | 5.4 | COc1ccc([S+]([O-])c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL115807 | 10058 | 0 | None | - | 1 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 588 | 7 | 0 | 6 | 5.4 | COc1ccc([S+]([O-])c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 10104167 | 2028 | 1 | None | 13 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 6937 | 2028 | 1 | None | 13 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| CHEMBL3121473 | 2028 | 1 | None | 13 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 10109563 | 157994 | 0 | None | -7 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.0 | CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL409151 | 157994 | 0 | None | -7 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.0 | CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 16094788 | 141383 | 0 | None | 5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL386983 | 141383 | 0 | None | 5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 531 | 19 | 0 | 14 | 1.6 | COc1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 10606253 | 156731 | 0 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL407678 | 156731 | 0 | None | 1 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 1152 | 27 | 4 | 13 | 9.2 | CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 13981865 | 112314 | 2 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmc.2014.04.029 | ||
| CHEMBL3289391 | 112314 | 2 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmc.2014.04.029 | ||
| CHEMBL3306998 | 112314 | 2 | None | 11 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 340 | 4 | 1 | 3 | 2.7 | C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1 | 10.1016/j.bmc.2014.04.029 | ||
| 1201549 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| 333 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| 7601 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| CHEMBL1201203 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| CHEMBL438151 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| DB00245 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 10.1021/jm00020a006 | ||
| 44378862 | 57811 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 7 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL167629 | 57811 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 575 | 7 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)cc1 | 10.1016/s0960-894x(02)00024-0 | ||
| 16065268 | 67586 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 456 | 9 | 1 | 3 | 5.6 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(Oc2ccccc2)CC1 | 10.1021/jm200884j | ||
| CHEMBL1910849 | 67586 | 0 | None | -2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 456 | 9 | 1 | 3 | 5.6 | CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CCC(Oc2ccccc2)CC1 | 10.1021/jm200884j | ||
| 155542840 | 175819 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 9 | 1 | 4 | 5.6 | O=C(OC1C[N+]2(CCCc3ccc(OC(F)(F)F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4521993 | 175819 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 9 | 1 | 4 | 5.6 | O=C(OC1C[N+]2(CCCc3ccc(OC(F)(F)F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4595947 | 175819 | 0 | None | -1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 540 | 9 | 1 | 4 | 5.6 | O=C(OC1C[N+]2(CCCc3ccc(OC(F)(F)F)cc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 9815331 | 201417 | 1 | None | -1 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL64000 | 201417 | 1 | None | -1 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 9815331 | 201417 | 1 | None | 1 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | 1 | 8 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -1 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64000 | 201417 | 1 | None | -1 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 9815331 | 201417 | 1 | None | -1 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL64000 | 201417 | 1 | None | -1 | 8 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1016/j.bmc.2007.12.036 | ||
| 154417 | 92828 | 57 | None | -4 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL2449003 | 92828 | 57 | None | -4 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1016/j.bmcl.2007.12.051 | ||
| 155538050 | 171783 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 550 | 6 | 0 | 4 | 6.0 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4475862 | 171783 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 550 | 6 | 0 | 4 | 6.0 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(S(=O)(=O)c4cccc(Cl)c4)cc3)CC2)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44295618 | 164575 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 6 | 2 | 6 | 3.9 | Cc1cccc(C(=O)N2CCC(N3CCC(C4(c5ccc(C(=O)NC(C)C)cc5)OCCO4)CC3)CC2)c1N | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL422763 | 164575 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 534 | 6 | 2 | 6 | 3.9 | Cc1cccc(C(=O)N2CCC(N3CCC(C4(c5ccc(C(=O)NC(C)C)cc5)OCCO4)CC3)CC2)c1N | 10.1016/j.bmcl.2004.01.033 | ||
| 44267706 | 162698 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 0 | 6 | 6.5 | CCOC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cc(OCC)ccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL418530 | 162698 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 574 | 10 | 0 | 6 | 6.5 | CCOC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cc(OCC)ccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 10119364 | 43004 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 532 | 5 | 0 | 3 | 6.7 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL150624 | 43004 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 532 | 5 | 0 | 3 | 6.7 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| 9889312 | 78021 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2007.11.022 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1021/acs.jmedchem.8b00041 | ||
| 16115796 | 136693 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375073 | 136693 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 16115951 | 141111 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL385328 | 141111 | 0 | None | -3 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 12872437 | 11953 | 0 | None | -2 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183585 | 11953 | 0 | None | -2 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL306182 | 11953 | 0 | None | -2 | 5 | Rat | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 338 | 2 | 0 | 3 | 3.1 | C[N+]1(C)CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00403-G | ||
| 9889312 | 78021 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2111540 | 78021 | 0 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 154417 | 92828 | 57 | None | -9 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL2449003 | 92828 | 57 | None | -9 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 118710664 | 120319 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323281 | 120319 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558231 | 120319 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 118710664 | 120319 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323281 | 120319 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558231 | 120319 | 0 | None | 1 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 57326235 | 76832 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042405 | 76832 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079009 | 76832 | 0 | None | -5 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 9871136 | 205386 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 514 | 7 | 0 | 7 | 4.0 | CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL92110 | 205386 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 514 | 7 | 0 | 7 | 4.0 | CCOC(=O)N1CCC(N2CCC(C(=O)c3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 164621814 | 187971 | 0 | None | 22 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4867301 | 187971 | 0 | None | 22 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028667 | 187971 | 0 | None | 22 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44311835 | 202832 | 0 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 558 | 8 | 0 | 5 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL72787 | 202832 | 0 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 558 | 8 | 0 | 5 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 44311835 | 202832 | 0 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 558 | 8 | 0 | 5 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL72787 | 202832 | 0 | None | 31 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 558 | 8 | 0 | 5 | 5.5 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)Cc3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 44267725 | 11219 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccnc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11794 | 11219 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccnc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44267772 | 15618 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 465 | 6 | 1 | 4 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)c1N | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12228 | 15618 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 465 | 6 | 1 | 4 | 5.6 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(SC(C)C)cc4)CC3)CC2)c1N | 10.1016/s0960-894x(02)00096-3 | ||
| 10269504 | 133850 | 0 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL371734 | 133850 | 0 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406268 | 140265 | 0 | None | -19 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 3.3 | CO[C@]1(C#CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL381878 | 140265 | 0 | None | -19 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 3.3 | CO[C@]1(C#CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44213237 | 101451 | 0 | None | -16 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL300998 | 101451 | 0 | None | -16 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 291 | 8 | 0 | 5 | 2.5 | CCCCCCOc1nccnc1OC1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 9889312 | 78021 | 0 | None | 2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | 2 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 15050956 | 102455 | 0 | None | 3 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 3.4 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL306201 | 102455 | 0 | None | 3 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 552 | 8 | 1 | 7 | 3.4 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9705115 | ||
| 10557581 | 21574 | 0 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202001 | 21574 | 0 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL131913 | 21574 | 0 | None | -3 | 5 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 873 | 27 | 4 | 10 | 8.1 | CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 10398843 | 36177 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 0 | 2 | 3.2 | c1ccc2oc(C3CN4CCC3CC4)cc2c1 | 10.1021/jm00003a011 | ||
| CHEMBL144693 | 36177 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 227 | 1 | 0 | 2 | 3.2 | c1ccc2oc(C3CN4CCC3CC4)cc2c1 | 10.1021/jm00003a011 | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10622033 | 42536 | 0 | None | -323 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL150219 | 42536 | 0 | None | -323 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 420 | 7 | 2 | 3 | 4.2 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1021/jm0003135 | ||
| 208598 | 35699 | 4 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2ccccn2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144247 | 35699 | 4 | None | -1 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2ccccn2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 6075 | 149575 | 36 | None | -7 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| CHEMBL395110 | 149575 | 36 | None | -7 | 16 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | nan | ||
| 16125529 | 136682 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 5 | 1 | 1 | 4.4 | C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL374987 | 136682 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 412 | 5 | 1 | 1 | 4.4 | C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 463892 | 31661 | 1 | None | -18 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 5 | 0 | 6 | 4.9 | COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL140706 | 31661 | 1 | None | -18 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 5 | 0 | 6 | 4.9 | COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| 44392898 | 122572 | 0 | None | 7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 2 | 1 | 4 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C(O)=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL360988 | 122572 | 0 | None | 7 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 2 | 1 | 4 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](/C(O)=C/[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 71575027 | 85796 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| CHEMBL2312389 | 85796 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 379 | 8 | 0 | 4 | 4.4 | CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 | 10.1021/jm301774u | ||
| 463616 | 31834 | 1 | None | -2884 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 4 | 0 | 4 | 6.2 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL140827 | 31834 | 1 | None | -2884 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 542 | 4 | 0 | 4 | 6.2 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)cncc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| 2335 | 11743 | 21 | None | -2 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 8478 | 11743 | 21 | None | -2 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL1182210 | 11743 | 21 | None | -2 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| CHEMBL221753 | 11743 | 21 | None | -2 | 12 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | nan | ||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | 10.1016/j.bmc.2007.12.036 | ||
| 11504244 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 60138185 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3121474 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3140249 | 106037 | 0 | None | 199 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 10236758 | 115272 | 3 | None | -208 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354065 | 115272 | 3 | None | -208 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 328 | 7 | 0 | 2 | 4.3 | CCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/jm501173q | ||
| 137655636 | 158190 | 0 | None | -95 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4093527 | 158190 | 0 | None | -95 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 376 | 7 | 0 | 2 | 4.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44437249 | 11767 | 0 | None | 2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182436 | 11767 | 0 | None | 2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL238825 | 11767 | 0 | None | 2 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 235 | 3 | 0 | 3 | 1.6 | Cc1cc(OCC#CC[N+]2(C)CCCC2)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 137629935 | 160473 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4060823 | 160473 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116342 | 160473 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 206 | 3 | 0 | 1 | 1.9 | C[N+](C)(C)CCc1ccc2c(c1)OCC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 16125372 | 84231 | 0 | None | -74 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 5 | 1 | 2 | 4.9 | O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL222424 | 84231 | 0 | None | -74 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 447 | 5 | 1 | 2 | 4.9 | O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 118719927 | 115281 | 0 | None | -2 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354074 | 115281 | 0 | None | -2 | 8 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 386 | 11 | 1 | 3 | 4.4 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 6603753 | 108215 | 1 | None | 5 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL320820 | 108215 | 1 | None | 5 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 176 | 2 | 0 | 2 | 1.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 44422692 | 11748 | 0 | None | 5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182296 | 11748 | 0 | None | 5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL228144 | 11748 | 0 | None | 5 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 24865895 | 95559 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL259662 | 95559 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL390842 | 95559 | 0 | None | 1 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2014.06.020 | ||
| 44383595 | 165562 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 5 | 0 | 3 | 5.0 | CCC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL426032 | 165562 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 5 | 0 | 3 | 5.0 | CCC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| 10476118 | 123309 | 0 | None | -4 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 400 | 4 | 0 | 3 | 3.2 | CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL362438 | 123309 | 0 | None | -4 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 400 | 4 | 0 | 3 | 3.2 | CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc12 | 10.1016/S0960-894X(97)00143-1 | ||
| 134271233 | 175965 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 4.3 | O=C(OC1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4591883 | 175965 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 4.3 | O=C(OC1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4597134 | 175965 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 428 | 6 | 1 | 3 | 4.3 | O=C(OC1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 118710664 | 120319 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323281 | 120319 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558231 | 120319 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 164622170 | 187975 | 0 | None | 7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863723 | 187975 | 0 | None | 7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028687 | 187975 | 0 | None | 7 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 846 | 20 | 9 | 12 | -0.4 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44593626 | 187270 | 0 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496306 | 187270 | 0 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539121 | 187270 | 0 | None | -1 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 15050953 | 101869 | 0 | None | 1 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 9 | 2 | 7 | 4.0 | CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303684 | 101869 | 0 | None | 1 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 9 | 2 | 7 | 4.0 | CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 101676031 | 96879 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 16175987 | 96879 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201998 | 96879 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL269272 | 96879 | 0 | None | -4 | 4 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 16664965 | 84478 | 0 | None | -28 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 462 | 6 | 1 | 1 | 4.7 | C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL223668 | 84478 | 0 | None | -28 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 462 | 6 | 1 | 1 | 4.7 | C[N+]1(CCc2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 44308733 | 101720 | 0 | None | -138 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 5 | 2 | 3 | 3.3 | CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL302809 | 101720 | 0 | None | -138 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 380 | 5 | 2 | 3 | 3.3 | CC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 611037 | 201999 | 1 | None | -3 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 2.2 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL67532 | 201999 | 1 | None | -3 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 2.2 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCl)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 14956862 | 13623 | 0 | None | -10 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 0 | 0 | 4 | 1.4 | CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL1195116 | 13623 | 0 | None | -10 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 0 | 0 | 4 | 1.4 | CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| CHEMBL553865 | 13623 | 0 | None | -10 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 256 | 0 | 0 | 4 | 1.4 | CN1CCC2(CC1)OC(=S)N(C(C)(C)C)C2=O | 10.1021/jm00068a005 | ||
| 14964513 | 11314 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL1180268 | 11314 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL119508 | 11314 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| 14964497 | 14176 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119985 | 14176 | 0 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 10622718 | 38166 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.5 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL146359 | 38166 | 0 | None | -1174 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 434 | 6 | 2 | 3 | 4.5 | O=C(NC1CCN(CC2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 15086397 | 13608 | 0 | None | -26 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 7 | 0 | 4 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1195036 | 13608 | 0 | None | -26 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 7 | 0 | 4 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL553755 | 13608 | 0 | None | -26 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 314 | 7 | 0 | 4 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc(C#N)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 118719928 | 115282 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354075 | 115282 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 414 | 13 | 1 | 3 | 5.2 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 156013536 | 177736 | 0 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4639297 | 177736 | 0 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651058 | 177736 | 0 | None | -3 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 108993439 | 179280 | 1 | None | 3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | CC1Cc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745429 | 179280 | 1 | None | 3 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | CC1Cc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 71452382 | 83380 | 0 | None | -6 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205812 | 83380 | 0 | None | -6 | 10 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccc(CCN2C3C4C5CC6C7C5C3C7C2(O)C64)cc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 44593617 | 186848 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493795 | 186848 | 0 | None | -2 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 11048067 | 5504 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL107679 | 5504 | 0 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.6 | CCOC(=O)c1c(C)n(CC)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 135430667 | 4889 | 0 | None | -35 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104803 | 4889 | 0 | None | -35 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 402 | 2 | 1 | 6 | 4.3 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(-c5nc(C)no5)c34)OC21 | 10.1021/jm011116o | ||
| 11143997 | 4953 | 0 | None | -309 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105122 | 4953 | 0 | None | -309 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 408 | 3 | 1 | 5 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 10225881 | 107135 | 0 | None | -724 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL318995 | 107135 | 0 | None | -724 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 450 | 6 | 1 | 5 | 5.9 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(SC)ccc2C1O3 | 10.1021/jm011116o | ||
| 58438451 | 91853 | 0 | None | -2089 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 442 | 4 | 0 | 6 | 3.1 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426689 | 91853 | 0 | None | -2089 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 442 | 4 | 0 | 6 | 3.1 | Cc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-n5nccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 44437298 | 11782 | 0 | None | 7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182460 | 11782 | 0 | None | 7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239436 | 11782 | 0 | None | 7 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 237 | 2 | 0 | 3 | 1.4 | C[N+]1(CC#CCOC2=NOCC2)CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 9998202 | 68824 | 0 | None | -2 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192485 | 68824 | 0 | None | -2 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44267749 | 12839 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.0 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cc(F)ccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11893 | 12839 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.0 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cc(F)ccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44267693 | 168618 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.0 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL440601 | 168618 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.0 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 11595794 | 135178 | 0 | None | -3 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| CHEMBL372983 | 135178 | 0 | None | -3 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| 44313630 | 203111 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 9 | 0 | 4 | 5.1 | CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL75217 | 203111 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 401 | 9 | 0 | 4 | 5.1 | CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 10525412 | 41730 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1 | 10.1021/jm0003135 | ||
| CHEMBL149486 | 41730 | 0 | None | -6 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cc1 | 10.1021/jm0003135 | ||
| 15050961 | 202125 | 0 | None | -6 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 612 | 16 | 2 | 7 | 5.8 | COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68446 | 202125 | 0 | None | -6 | 2 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 612 | 16 | 2 | 7 | 5.8 | COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 155525065 | 175980 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4456524 | 175980 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597243 | 175980 | 0 | None | 3 | 5 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 590 | 11 | 4 | 6 | 2.9 | CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 1935 | 3677 | 92 | None | -6 | 6 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 2551 | 3677 | 92 | None | -6 | 6 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 6687 | 3677 | 92 | None | -6 | 6 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| CHEMBL95 | 3677 | 92 | None | -6 | 6 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| DB00382 | 3677 | 92 | None | -6 | 6 | Mouse | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | 10.1021/jm00095a008 | ||
| 44568347 | 191055 | 0 | None | -10 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| CHEMBL519609 | 191055 | 0 | None | -10 | 15 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 356 | 6 | 0 | 4 | 5.2 | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | ||
| 155518181 | 169694 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4446039 | 169694 | 0 | None | -3 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 404 | 4 | 0 | 3 | 5.2 | O=C(OCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 16085999 | 79882 | 0 | None | -457 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL214029 | 79882 | 0 | None | -457 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 676 | 10 | 3 | 5 | 4.3 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 10646906 | 118728 | 0 | None | -63 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 | 10.1021/jm0003135 | ||
| CHEMBL343449 | 118728 | 0 | None | -63 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 | 10.1021/jm0003135 | ||
| 44309089 | 102536 | 0 | None | -128 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 352 | 5 | 3 | 3 | 2.4 | O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL306903 | 102536 | 0 | None | -128 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 352 | 5 | 3 | 3 | 2.4 | O=C(NCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10061123 | 36659 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2csc3ccccc23)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145081 | 36659 | 0 | None | -2 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2csc3ccccc23)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 44207909 | 16520 | 1 | None | -8 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| CHEMBL1242923 | 16520 | 1 | None | -8 | 9 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 407 | 7 | 1 | 4 | 2.6 | O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1 | 10.1021/jm100697g | ||
| 44328540 | 206047 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 3 | 1 | 3 | 2.3 | COc1ccccc1C(O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL96042 | 206047 | 0 | None | -6 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 245 | 3 | 1 | 3 | 2.3 | COc1ccccc1C(O)C1=CN2CCC1CC2 | 10.1016/S0960-894X(01)80824-6 | ||
| 14964499 | 168823 | 2 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL442206 | 168823 | 2 | None | - | 1 | Rat | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 137630043 | 160490 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 4 | 0 | 1 | 2.4 | COc1cccc(/C=C/C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4099667 | 160490 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 4 | 0 | 1 | 2.4 | COc1cccc(/C=C/C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116455 | 160490 | 0 | None | -1 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 206 | 4 | 0 | 1 | 2.4 | COc1cccc(/C=C/C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44400185 | 68984 | 0 | None | -1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 4.6 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@@]3(C)C2)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192885 | 68984 | 0 | None | -1 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 4.6 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@@]3(C)C2)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44295977 | 192129 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 536 | 6 | 0 | 4 | 5.7 | CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1021/jm0255163 | ||
| CHEMBL52203 | 192129 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 536 | 6 | 0 | 4 | 5.7 | CC(C)S(=O)(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5ccccc45)CC3)CC2)cc1 | 10.1021/jm0255163 | ||
| 1273944 | 200908 | 17 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL612034 | 200908 | 17 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2007.12.036 | ||
| 73352329 | 91833 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426669 | 91833 | 0 | None | -1 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 156015719 | 177683 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4646457 | 177683 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650699 | 177683 | 0 | None | -4 | 5 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156011605 | 177708 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4638067 | 177708 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650888 | 177708 | 0 | None | 1 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.4 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(Cc3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10101246 | 9455 | 0 | None | -81 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | -81 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 9998202 | 68824 | 0 | None | -2 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192485 | 68824 | 0 | None | -2 | 2 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44382865 | 119775 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL352596 | 119775 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 4.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 16125620 | 84224 | 0 | None | -93 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 425 | 5 | 1 | 2 | 4.9 | Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| CHEMBL222388 | 84224 | 0 | None | -93 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 425 | 5 | 1 | 2 | 4.9 | Cc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| 15105209 | 103144 | 1 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 11 | 1 | 3 | 3.4 | CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL308707 | 103144 | 1 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 318 | 11 | 1 | 3 | 3.4 | CCN(CC)CCOCCNCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 16125371 | 84335 | 0 | None | -28 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 5 | 1 | 2 | 4.2 | O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm061159a | ||
| CHEMBL223017 | 84335 | 0 | None | -28 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 397 | 5 | 1 | 2 | 4.2 | O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm061159a | ||
| 53324553 | 56560 | 0 | None | -3 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| CHEMBL1643900 | 56560 | 0 | None | -3 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmcl.2010.11.075 | ||
| 53324553 | 56560 | 0 | None | -3 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1643900 | 56560 | 0 | None | -3 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 283 | 4 | 1 | 1 | 3.1 | Fc1cccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)c1 | 10.1016/j.bmc.2013.07.045 | ||
| 11013666 | 59120 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL171102 | 59120 | 0 | None | -5 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 354 | 6 | 0 | 2 | 5.2 | CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 44593616 | 192611 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL523518 | 192611 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 162649767 | 179522 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748337 | 179522 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.0 | Cn1ccc2c(NC(=O)CCN3CCCc4ccccc43)cccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 44448500 | 12228 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185248 | 12228 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL402282 | 12228 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 549 | 12 | 2 | 3 | 6.2 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 145961152 | 161043 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129382 | 161043 | 0 | None | -1 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 162658112 | 180489 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4759774 | 180489 | 0 | None | -1 | 4 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 393 | 2 | 0 | 5 | 4.0 | CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 73347827 | 92112 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432052 | 92112 | 0 | None | 1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 311 | 4 | 0 | 2 | 2.6 | CN(CCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 14964494 | 11852 | 1 | None | 2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118292 | 11852 | 1 | None | 2 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 1734 | 116 | 8 | None | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 307 | 116 | 8 | None | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| CHEMBL168067 | 116 | 8 | None | -9 | 12 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/j.bmcl.2013.01.025 | ||
| 214124 | 169124 | 2 | None | -5 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL443780 | 169124 | 2 | None | -5 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 164619478 | 187954 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872882 | 187954 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028552 | 187954 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 533 | 8 | 3 | 7 | 1.5 | NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 14210083 | 156171 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4070155 | 156171 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.6b01892 | ||
| 137629887 | 160463 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4065555 | 160463 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116259 | 160463 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 218 | 4 | 0 | 1 | 3.1 | C[N+](C)(C)CCCc1ccc2ccoc2c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 14964507 | 113856 | 1 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL333107 | 113856 | 1 | None | -5 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 10716120 | 38048 | 0 | None | -208 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL146249 | 38048 | 0 | None | -208 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 402 | 7 | 2 | 3 | 3.9 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@@H](F)C2)CC1 | 10.1021/jm0003135 | ||
| 44364174 | 121471 | 0 | None | -128 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 7 | 3 | 4 | 3.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL359220 | 121471 | 0 | None | -128 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 400 | 7 | 3 | 4 | 3.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)[C@H]2CC[C@H](O)C2)CC1 | 10.1021/jm0003135 | ||
| 2726 | 906 | 64 | None | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 621 | 906 | 64 | None | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 83 | 906 | 64 | None | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| CHEMBL71 | 906 | 64 | None | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| DB00477 | 906 | 64 | None | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | nan | ||
| 10880435 | 58750 | 0 | None | 6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169494 | 58750 | 0 | None | 6 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 11015312 | 5202 | 0 | None | -34 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106505 | 5202 | 0 | None | -34 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 420 | 5 | 1 | 5 | 4.9 | CCCCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 44448538 | 12313 | 0 | None | -7 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185855 | 12313 | 0 | None | -7 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL436850 | 12313 | 0 | None | -7 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 339 | 6 | 1 | 2 | 3.1 | C[N+]1(C)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44267740 | 97870 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 500 | 7 | 0 | 4 | 6.4 | COc1cccc(Cl)c1C(=O)N1CCC(N2CCC(Cc3ccc(SC(C)C)cc3)CC2)CC1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL274999 | 97870 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 500 | 7 | 0 | 4 | 6.4 | COc1cccc(Cl)c1C(=O)N1CCC(N2CCC(Cc3ccc(SC(C)C)cc3)CC2)CC1 | 10.1016/s0960-894x(02)00096-3 | ||
| 1353 | 1880 | 85 | None | -338 | 85 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970333f | ||
| 3559 | 1880 | 85 | None | -338 | 85 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970333f | ||
| 86 | 1880 | 85 | None | -338 | 85 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970333f | ||
| CHEMBL54 | 1880 | 85 | None | -338 | 85 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970333f | ||
| DB00502 | 1880 | 85 | None | -338 | 85 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm970333f | ||
| 155565286 | 175692 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4579642 | 175692 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595003 | 175692 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 760 | 18 | 6 | 8 | 2.7 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 156012936 | 177721 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4639004 | 177721 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650969 | 177721 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11092603 | 4792 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104332 | 4792 | 0 | None | -3 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 524 | 7 | 0 | 7 | 5.8 | C=CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 73355325 | 91835 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C(C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426671 | 91835 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 457 | 6 | 0 | 6 | 3.8 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C(C)c2ccc(-c4ncccn4)cc2)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 137642607 | 157972 | 0 | None | -1230 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091231 | 157972 | 0 | None | -1230 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.2 | O=C1CCc2ccccc2N1CCCN1CCC(c2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 9817231 | 157691 | 17 | None | -2 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL4088272 | 157691 | 17 | None | -2 | 7 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 282 | 4 | 0 | 3 | 4.1 | CCCN1CCC=C(c2cc(-c3ccc(C)cc3)no2)C1 | 10.1038/s41586-020-2286-9 | ||
| 10693031 | 120474 | 0 | None | -11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 412 | 6 | 2 | 4 | 4.2 | Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1 | 10.1021/jm0003135 | ||
| CHEMBL356305 | 120474 | 0 | None | -11 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 412 | 6 | 2 | 4 | 4.2 | Cc1cc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)cs1 | 10.1021/jm0003135 | ||
| 15678851 | 102200 | 0 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 11 | 2 | 6 | 3.6 | NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL304582 | 102200 | 0 | None | 1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 11 | 2 | 6 | 3.6 | NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 15888010 | 202149 | 0 | None | -79 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.3 | NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL68584 | 202149 | 0 | None | -79 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 338 | 3 | 2 | 3 | 2.3 | NC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 14964498 | 13774 | 0 | None | 6 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119615 | 13774 | 0 | None | 6 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 15050941 | 201972 | 0 | None | -1 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.1 | O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL67381 | 201972 | 0 | None | -1 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.1 | O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm020572p | ||
| 137630995 | 160594 | 0 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 208 | 4 | 0 | 2 | 1.6 | COc1cccc(C(=O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4102555 | 160594 | 0 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 208 | 4 | 0 | 2 | 1.6 | COc1cccc(C(=O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117268 | 160594 | 0 | None | -14 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 208 | 4 | 0 | 2 | 1.6 | COc1cccc(C(=O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44328347 | 205817 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 1 | 1 | 2 | 3.6 | OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL94772 | 205817 | 0 | None | -1 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 317 | 1 | 1 | 2 | 3.6 | OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc21 | 10.1016/S0960-894X(01)80824-6 | ||
| 44318817 | 168548 | 0 | None | -7 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL440138 | 168548 | 0 | None | -7 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 1.6 | CCC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 10836338 | 39096 | 0 | None | -186 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 2 | 4 | 3.5 | O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147105 | 39096 | 0 | None | -186 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 429 | 6 | 2 | 4 | 3.5 | O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 10573458 | 118757 | 0 | None | -218 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 407 | 6 | 2 | 4 | 3.5 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1 | 10.1021/jm0003135 | ||
| CHEMBL343659 | 118757 | 0 | None | -218 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 407 | 6 | 2 | 4 | 3.5 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)n1 | 10.1021/jm0003135 | ||
| 14537192 | 99760 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 428 | 9 | 1 | 6 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL288482 | 99760 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 428 | 9 | 1 | 6 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| 44267796 | 97650 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc5ccccc5c4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL273439 | 97650 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccc5ccccc5c4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44326538 | 13155 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 9 | 0 | 3 | 4.3 | CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL1191560 | 13155 | 0 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 339 | 9 | 0 | 3 | 4.3 | CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 164622564 | 187976 | 0 | None | 25 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862221 | 187976 | 0 | None | 25 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028706 | 187976 | 0 | None | 25 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 902 | 21 | 9 | 12 | 0.2 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1016/j.bmc.2007.12.036 | ||
| 164614732 | 187914 | 0 | None | 10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4860752 | 187914 | 0 | None | 10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028266 | 187914 | 0 | None | 10 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 519 | 7 | 3 | 7 | 1.1 | NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 162353371 | 181068 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4775999 | 181068 | 0 | None | 2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | CC1CCc2ccccc2N1CC(=O)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 10916286 | 5033 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105593 | 5033 | 0 | None | -1 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(Cl)c2C1O3 | 10.1021/jm011116o | ||
| 15157141 | 92369 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 11 | 0 | 3 | 5.6 | CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL24369 | 92369 | 0 | None | -1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 373 | 11 | 0 | 3 | 5.6 | CCN(CC)CCCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 71449188 | 79275 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@H]1CCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2115359 | 79275 | 0 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@H]1CCCN1 | 10.1021/jm00087a008 | ||
| 15157140 | 99412 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 359 | 10 | 0 | 3 | 5.2 | CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL285898 | 99412 | 0 | None | -2 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 359 | 10 | 0 | 3 | 5.2 | CCN(CC)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 1210 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 1213 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 2725 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 33036 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 4411 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 616 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 6976 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 716121 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 90475904 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1201353 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL1554789 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| CHEMBL505 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB01114 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| DB13679 | 905 | 45 | None | -162 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | nan | ||
| 9880462 | 72559 | 0 | None | -39 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 5 | 1 | 3 | 3.2 | CCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200416 | 72559 | 0 | None | -39 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 327 | 5 | 1 | 3 | 3.2 | CCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2005.09.079 | ||
| 9308 | 17572 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL1255785 | 17572 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL12587 | 17572 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL292911 | 17572 | 16 | None | 2 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| 10066369 | 119752 | 0 | None | 8 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 119752 | 0 | None | 8 | 6 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 10269504 | 133850 | 0 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL371734 | 133850 | 0 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 353 | 3 | 1 | 3 | 3.6 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 44319342 | 204005 | 0 | None | -31 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 5 | 0 | 3 | 5.8 | O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL82512 | 204005 | 0 | None | -31 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 5 | 0 | 3 | 5.8 | O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 511332 | 109140 | 4 | None | -35 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL322251 | 109140 | 4 | None | -35 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 44267694 | 12618 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 512 | 7 | 0 | 3 | 7.4 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4-c4ccccc4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11877 | 12618 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 512 | 7 | 0 | 3 | 7.4 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4-c4ccccc4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 511332 | 109140 | 4 | None | -35 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL322251 | 109140 | 4 | None | -35 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 135409468 | 2004 | 63 | None | -114 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 333 | 2004 | 63 | None | -114 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| CHEMBL845 | 2004 | 63 | None | -114 | 40 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | 10.1021/jm100697g | ||
| 464036 | 9654 | 4 | None | -1174 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| CHEMBL113436 | 9654 | 4 | None | -1174 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1021/jm0155401 | ||
| 14964506 | 112817 | 1 | None | -6 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL331556 | 112817 | 1 | None | -6 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 464036 | 9654 | 4 | None | -1174 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL113436 | 9654 | 4 | None | -1174 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 502 | 4 | 0 | 4 | 5.5 | Cc1ccnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10012596 | 188427 | 2 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL50898 | 188427 | 2 | None | 1 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| 1353 | 1880 | 85 | None | -338 | 85 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 3559 | 1880 | 85 | None | -338 | 85 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 86 | 1880 | 85 | None | -338 | 85 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| CHEMBL54 | 1880 | 85 | None | -338 | 85 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| DB00502 | 1880 | 85 | None | -338 | 85 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm9601720 | ||
| 15050947 | 102124 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 613 | 8 | 3 | 8 | 3.4 | CC(C)(C)OC(=O)NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL304109 | 102124 | 0 | None | - | 1 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 613 | 8 | 3 | 8 | 3.4 | CC(C)(C)OC(=O)NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 44406572 | 72497 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200208 | 72497 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 3.0 | CO[C@@]1(C#CC(O)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406346 | 135627 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 3.2 | COC1(C#CC(O)(Cc2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL373256 | 135627 | 0 | None | -6 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 3.2 | COC1(C#CC(O)(Cc2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(96)00107-2 | ||
| 164611279 | 187889 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4854472 | 187889 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028067 | 187889 | 0 | None | 4 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 832 | 19 | 12 | 11 | -1.4 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44319010 | 204112 | 0 | None | -15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.5 | O=C(C1CCC1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL83363 | 204112 | 0 | None | -15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 348 | 5 | 0 | 2 | 4.5 | O=C(C1CCC1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 50898777 | 56146 | 0 | None | -23442 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
| CHEMBL1632158 | 56146 | 0 | None | -23442 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 441 | 9 | 1 | 6 | 3.6 | COC(=O)CCCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 | 10.1016/j.bmc.2010.10.011 | ||
| 15050950 | 202359 | 0 | None | -3 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 1.1 | CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70003 | 202359 | 0 | None | -3 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 422 | 5 | 2 | 6 | 1.1 | CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44267715 | 14375 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 6 | 0 | 5 | 4.5 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cnccn4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12029 | 14375 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 438 | 6 | 0 | 5 | 4.5 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cnccn4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 462989 | 32885 | 1 | None | -14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL141699 | 32885 | 1 | None | -14 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 518 | 4 | 0 | 4 | 4.7 | Cc1c[n+]([O-])cc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 44267750 | 15079 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 6 | 0 | 5 | 5.7 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cnnc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12112 | 15079 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 488 | 6 | 0 | 5 | 5.7 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cnnc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44267697 | 16141 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cccnc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12268 | 16141 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 487 | 6 | 0 | 4 | 6.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5cccnc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 11011757 | 58911 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| CHEMBL170221 | 58911 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 0 | 1 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccc1 | 10.1021/jm020895l | ||
| 10104167 | 2028 | 1 | None | 13 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 6937 | 2028 | 1 | None | 13 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| CHEMBL3121473 | 2028 | 1 | None | 13 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 44448496 | 11807 | 0 | None | -3 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182637 | 11807 | 0 | None | -3 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257547 | 11807 | 0 | None | -3 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 401 | 7 | 1 | 2 | 4.7 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCN(c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 15157139 | 99350 | 0 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL285440 | 99350 | 0 | None | -8 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 8 | 0 | 3 | 4.4 | CN(C)CCCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 44267751 | 97934 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 5.5 | O=C(c1cccc2ccccc12)N1CCC(N2CCC(Cc3ccc(SCCO)cc3)CC2)CC1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL275347 | 97934 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 488 | 7 | 1 | 4 | 5.5 | O=C(c1cccc2ccccc12)N1CCC(N2CCC(Cc3ccc(SCCO)cc3)CC2)CC1 | 10.1016/s0960-894x(02)00096-3 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1016/j.ejmech.2013.01.044 | ||
| 44383065 | 119874 | 0 | None | 5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL353311 | 119874 | 0 | None | 5 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 399 | 5 | 1 | 3 | 5.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44312152 | 202445 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 374 | 6 | 1 | 5 | 2.2 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL70531 | 202445 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 374 | 6 | 1 | 5 | 2.2 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 15678850 | 102534 | 0 | None | -1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 464 | 10 | 2 | 6 | 3.2 | NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL306875 | 102534 | 0 | None | -1 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 464 | 10 | 2 | 6 | 3.2 | NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 15157137 | 99433 | 0 | None | -17 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 7 | 0 | 3 | 4.0 | CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| CHEMBL286008 | 99433 | 0 | None | -17 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 317 | 7 | 0 | 3 | 4.0 | CN(C)CCCOC(=O)C(C)(c1ccccc1)C1CCCCC1 | 10.1021/jm00085a017 | ||
| 71741394 | 120322 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323287 | 120322 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558239 | 120322 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 576 | 13 | 0 | 5 | 4.9 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 44267799 | 16174 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 6 | 0 | 3 | 5.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12291 | 16174 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 454 | 6 | 0 | 3 | 5.9 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4F)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 14964499 | 168823 | 2 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL442206 | 168823 | 2 | None | - | 1 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | CC1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 10421982 | 204322 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| CHEMBL85190 | 204322 | 0 | None | 1 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 2.5 | CN1C2CCCC1C(OC(=O)c1ccccc1)C2 | 10.1021/jm9904001 | ||
| 10812455 | 39549 | 0 | None | -109 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147653 | 39549 | 0 | None | -109 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 428 | 6 | 2 | 3 | 4.1 | O=C(NC1CCN(Cc2ccccc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 15196354 | 118765 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL343697 | 118765 | 0 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 244 | 1 | 0 | 1 | 2.5 | C[N+]12CCC(CC1)C(C1Cc3ccccc3O1)C2 | 10.1021/jm00003a011 | ||
| 23352285 | 96331 | 2 | None | -2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 2 | 0 | 3 | 2.6 | O=Cc1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL264747 | 96331 | 2 | None | -2 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 219 | 2 | 0 | 3 | 2.6 | O=Cc1ccc(C2=CN3CCC2CC3)s1 | 10.1016/S0960-894X(01)80824-6 | ||
| 137628850 | 160422 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1CC[N+](C)(C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4097248 | 160422 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1CC[N+](C)(C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115965 | 160422 | 0 | None | -1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1CC[N+](C)(C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10957754 | 58735 | 0 | None | 2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL169401 | 58735 | 0 | None | 2 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CC(C1=C(CCCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 46905988 91930079 | 10318 | 0 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 418 | 8 | 2 | 3 | 3.7 | O=C(N[C@H]1[C@@H]2CN(CCCc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL1162964 | 10318 | 0 | None | -3 | 2 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 418 | 8 | 2 | 3 | 3.7 | O=C(N[C@H]1[C@@H]2CN(CCCc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 15050946 | 102173 | 0 | None | 1 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.5 | CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL304391 | 102173 | 0 | None | 1 | 4 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.5 | CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 1212 | 1632 | 45 | None | -1380 | 65 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 204 | 1632 | 45 | None | -1380 | 65 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 3372 | 1632 | 45 | None | -1380 | 65 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| CHEMBL726 | 1632 | 45 | None | -1380 | 65 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| DB00623 | 1632 | 45 | None | -1380 | 65 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00059a009 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00114a005 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/S0960-894X(97)00143-1 | ||
| 13773340 | 79180 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2114396 | 79180 | 0 | None | - | 1 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 16125698 | 84133 | 0 | None | -102 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 477 | 6 | 1 | 3 | 3.7 | C[N+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222054 | 84133 | 0 | None | -102 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 477 | 6 | 1 | 3 | 3.7 | C[N+]1(CC(=O)c2ccccn2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 70682037 | 75528 | 14 | None | -43 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2048820 | 75528 | 14 | None | -43 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 495 | 5 | 0 | 8 | 3.6 | Cc1cn2cc(CC(=O)N3CCC4(CC3)CN(Cc3ccc(-n5nccn5)cc3Cl)C4)nc2s1 | 10.1016/j.bmcl.2013.07.044 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 24894637 | 188133 | 0 | None | 2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL504733 | 188133 | 0 | None | 2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| CHEMBL553434 | 188133 | 0 | None | 2 | 5 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 180 | 1 | 0 | 1 | 2.5 | Cc1ccc([C@H]2CCC[N+]2(C)C)o1 | 10.1021/jm800145d | ||
| 44296020 | 193167 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 6 | 2 | 4 | 4.3 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]cnc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL53965 | 193167 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 487 | 6 | 2 | 4 | 4.3 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5[nH]cnc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm401895u | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm401895u | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm401895u | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm401895u | ||
| 156578 | 140957 | 5 | None | 81 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 192 | 2 | 0 | 2 | 0.3 | O=C1CCCN1CC#CCN1CCC1 | 10.1021/jm00087a008 | ||
| CHEMBL38441 | 140957 | 5 | None | 81 | 2 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 192 | 2 | 0 | 2 | 0.3 | O=C1CCCN1CC#CCN1CCC1 | 10.1021/jm00087a008 | ||
| 16125335 | 137630 | 0 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 6 | 1 | 2 | 4.3 | C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL376900 | 137630 | 0 | None | -4 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 454 | 6 | 1 | 2 | 4.3 | C[N+]1(C[C@H]2O[C@@H]2c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 462772 | 101841 | 1 | None | -5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@H]1CN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL303503 | 101841 | 1 | None | -5 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 643 | 6 | 0 | 7 | 5.9 | C[C@H]1CN(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| 44385809 | 61137 | 0 | None | -81 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL177040 | 61137 | 0 | None | -81 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00003a011 | ||
| 9991939 | 118847 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2cc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL344327 | 118847 | 0 | None | -3 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2cc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 11796509 | 40456 | 0 | None | -45 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.9 | COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL148450 | 40456 | 0 | None | -45 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 3.9 | COc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| 10354430 | 36940 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 243 | 1 | 1 | 3 | 2.3 | OC1(c2cc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145301 | 36940 | 0 | None | -3 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 243 | 1 | 1 | 3 | 2.3 | OC1(c2cc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 9839491 | 162658 | 0 | None | 1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 2 | 0 | 2 | 4.1 | O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2 | 10.1021/jm970740r | ||
| CHEMBL41830 | 162658 | 0 | None | 1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 2 | 0 | 2 | 4.1 | O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2 | 10.1021/jm970740r | ||
| CHEMBL554874 | 162658 | 0 | None | 1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 305 | 2 | 0 | 2 | 4.1 | O=C1c2ccccc2CCC12CCN(Cc1ccccc1)CC2 | 10.1021/jm970740r | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Rat | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9705115 | ||
| 14964506 | 112817 | 1 | None | -6 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL331556 | 112817 | 1 | None | -6 | 2 | Rat | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 15196232 | 164819 | 3 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2cccnc2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL423746 | 164819 | 3 | None | -1 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 204 | 1 | 1 | 3 | 1.0 | OC1(c2cccnc2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 137628858 | 160424 | 0 | None | 1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | CCOc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4074319 | 160424 | 0 | None | 1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | CCOc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115967 | 160424 | 0 | None | 1 | 3 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | CCOc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 3055 | 1405 | 43 | None | -2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 313 | 1405 | 43 | None | -2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 7163 | 1405 | 43 | None | -2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| CHEMBL936 | 1405 | 43 | None | -2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| DB01231 | 1405 | 43 | None | -2 | 9 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | nan | ||
| 44384258 | 128152 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.6 | CC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL366819 | 128152 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.6 | CC1CCCCN1CCC[C@@H]1[C@H]2CCCC[C@@H]2C[C@@H]2C(=O)O[C@@H](C)[C@@H]21 | 10.1016/s0960-894x(99)00101-8 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60138186 | 120323 | 0 | None | 23 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 60138193 | 120323 | 0 | None | 23 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323288 | 120323 | 0 | None | 23 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558240 | 120323 | 0 | None | 23 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 11504244 | 106037 | 0 | None | 199 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 60138185 | 106037 | 0 | None | 199 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3121474 | 106037 | 0 | None | 199 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3140249 | 106037 | 0 | None | 199 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 44448646 | 11803 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182612 | 11803 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL254586 | 11803 | 0 | None | -1 | 5 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 324 | 6 | 1 | 1 | 4.3 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1016/j.bmc.2007.12.036 | ||
| 46227483 | 14010 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198039 | 14010 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593685 | 14010 | 0 | None | -1 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 9868297 | 93680 | 0 | None | -13 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 7 | 2 | 5 | 3.1 | O=C(N[C@H]1[C@@H]2CN(CCc3ccc4c(c3)OCO4)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249205 | 93680 | 0 | None | -13 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 448 | 7 | 2 | 5 | 3.1 | O=C(N[C@H]1[C@@H]2CN(CCc3ccc4c(c3)OCO4)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 1016 | 3690 | 75 | None | -23 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2561 | 3690 | 75 | None | -23 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 2733526 | 3690 | 75 | None | -23 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 5384 | 3690 | 75 | None | -23 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| CHEMBL83 | 3690 | 75 | None | -23 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| DB00675 | 3690 | 75 | None | -23 | 35 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | ||
| 73347826 | 92110 | 0 | None | -2 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432049 | 92110 | 0 | None | -2 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 266 | 4 | 1 | 2 | 2.4 | c1ccc(CCN[C@H]2C3C4CC5C6C4CC3C6C52)nc1 | 10.1016/j.bmc.2013.07.045 | ||
| 3191 | 102385 | 93 | None | -8 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| CHEMBL305660 | 102385 | 93 | None | -8 | 25 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | ||
| 44308861 | 201834 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 316 | 4 | 2 | 3 | 2.3 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL66400 | 201834 | 0 | None | -16 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 316 | 4 | 2 | 3 | 2.3 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44404147 | 168524 | 6 | None | -19 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL439867 | 168524 | 6 | None | -19 | 3 | Rat | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| 24936155 | 94185 | 0 | None | -46 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 508 | 4 | 2 | 3 | 5.1 | CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2 | 10.1016/j.bmcl.2007.10.109 | ||
| CHEMBL252258 | 94185 | 0 | None | -46 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 508 | 4 | 2 | 3 | 5.1 | CC(=O)N1C2C=C(CN3C4CCC3CC(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)C4)CC1CCC2 | 10.1016/j.bmcl.2007.10.109 | ||
| 44309151 | 201889 | 0 | None | -60 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.3 | NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL66820 | 201889 | 0 | None | -60 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.3 | NCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10103909 | 201613 | 3 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2cccnc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL64779 | 201613 | 3 | None | -1 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 2.1 | C1=C(c2cccnc2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 275176 | 89383 | 1 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377388 | 89383 | 1 | None | -1 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C | 10.1016/j.bmc.2013.01.072 | ||
| 3055 | 1405 | 43 | None | -2 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 313 | 1405 | 43 | None | -2 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 7163 | 1405 | 43 | None | -2 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL936 | 1405 | 43 | None | -2 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| DB01231 | 1405 | 43 | None | -2 | 9 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 67407161 | 91852 | 0 | None | -1819 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 467 | 5 | 0 | 5 | 4.3 | CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426688 | 91852 | 0 | None | -1819 | 2 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 467 | 5 | 0 | 5 | 4.3 | CCc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 57326237 | 76830 | 0 | None | -7 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042407 | 76830 | 0 | None | -7 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078985 | 76830 | 0 | None | -7 | 5 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44384326 | 59563 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL172969 | 59563 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC1 | 10.1016/s0960-894x(99)00101-8 | ||
| 109013312 | 179554 | 1 | None | 3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4748774 | 179554 | 1 | None | 3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 258 | 3 | 0 | 2 | 2.5 | O=C(CCN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 11530307 | 77939 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2093082 | 77939 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2109993 | 77939 | 0 | None | 1 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 7141654 | 175216 | 6 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL458416 | 175216 | 6 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| 180 | 397 | 50 | None | -27 | 38 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 200 | 397 | 50 | None | -27 | 38 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 2160 | 397 | 50 | None | -27 | 38 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| CHEMBL629 | 397 | 50 | None | -27 | 38 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| DB00321 | 397 | 50 | None | -27 | 38 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | nan | ||
| 44627739 | 196695 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL576663 | 196695 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 333 | 4 | 1 | 3 | 4.3 | CN1CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 44308818 | 101611 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL302145 | 101611 | 0 | None | -30 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1cccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)c1 | 10.1016/s0960-894x(03)00350-0 | ||
| 14964495 | 12505 | 1 | None | 4 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118700 | 12505 | 1 | None | 4 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 199230 | 162585 | 18 | None | 37 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| CHEMBL41779 | 162585 | 18 | None | 37 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| 137630127 | 160502 | 0 | None | -2 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 210 | 4 | 1 | 2 | 1.4 | COc1cccc(C(O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4084607 | 160502 | 0 | None | -2 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 210 | 4 | 1 | 2 | 1.4 | COc1cccc(C(O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116537 | 160502 | 0 | None | -2 | 3 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 210 | 4 | 1 | 2 | 1.4 | COc1cccc(C(O)C[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 16125443 | 84226 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 3 | 1 | 2 | 3.1 | CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1 | 10.1021/jm061159a | ||
| CHEMBL222402 | 84226 | 0 | None | -3 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 335 | 3 | 1 | 2 | 3.1 | CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1 | 10.1021/jm061159a | ||
| 44274400 | 98481 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279520 | 98481 | 0 | None | -1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 3675988 | 176261 | 63 | None | -2 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461087 | 176261 | 63 | None | -2 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc(C2CCCN2)c1 | 10.1021/jm800145d | ||
| 16125437 | 83930 | 0 | None | -19 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 439 | 7 | 1 | 2 | 4.9 | O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL221713 | 83930 | 0 | None | -19 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 439 | 7 | 1 | 2 | 4.9 | O=C1NC(Cc2ccccc2)(Cc2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 16125568 | 96881 | 0 | None | -17 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 5 | 1 | 2 | 5.3 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL269280 | 96881 | 0 | None | -17 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 5 | 1 | 2 | 5.3 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1021/jm061159a | ||
| 7333 | 98898 | 76 | None | -3 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 2 | 3 | 1 | 3.8 | Cc1ccccc1NC(=N)Nc1ccccc1C | 10.1021/jm00039a008 | ||
| CHEMBL282433 | 98898 | 76 | None | -3 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 239 | 2 | 3 | 1 | 3.8 | Cc1ccccc1NC(=N)Nc1ccccc1C | 10.1021/jm00039a008 | ||
| 1530 | 2151 | 44 | None | -43 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 3827 | 2151 | 44 | None | -43 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 7206 | 2151 | 44 | None | -43 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| CHEMBL534 | 2151 | 44 | None | -43 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| DB00920 | 2151 | 44 | None | -43 | 20 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | nan | ||
| 10410916 | 93636 | 0 | None | -9 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 7 | 2 | 3 | 4.0 | O=C(N[C@H]1[C@@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249007 | 93636 | 0 | None | -9 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 438 | 7 | 2 | 3 | 4.0 | O=C(N[C@H]1[C@@H]2CN(CCc3ccc(Cl)cc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 44378598 | 57829 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 619 | 7 | 0 | 8 | 4.9 | COc1c(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)ccc2c1OCO2 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL167838 | 57829 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 619 | 7 | 0 | 8 | 4.9 | COc1c(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)ccc2c1OCO2 | 10.1016/s0960-894x(02)00024-0 | ||
| 156014820 | 177730 | 0 | None | 3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4646116 | 177730 | 0 | None | 3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650998 | 177730 | 0 | None | 3 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 780 | 14 | 1 | 6 | 7.8 | Cc1cc(/C=C/C=C/c2ccc(N(C)C)cc2)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| 10225340 | 202631 | 0 | None | 2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71531 | 202631 | 0 | None | 2 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 441 | 6 | 0 | 5 | 4.8 | COc1ccc(S(=O)(=O)c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 25034182 | 172015 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL448870 | 172015 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| CHEMBL540359 | 172015 | 0 | None | -2 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 589 | 10 | 5 | 6 | 4.3 | CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 | 10.1021/jm800634k | ||
| 25010559 | 96321 | 0 | None | -10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.3 | CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL264676 | 96321 | 0 | None | -10 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.3 | CO[C@]1(C#C[C@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 9936450 | 34929 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| CHEMBL143469 | 34929 | 0 | None | -4 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 518 | 14 | 0 | 10 | 5.0 | CN1CCC=C(c2nsnc2OCCCCCCCCCOc2nsnc2C2=CCCN(C)C2)C1 | 10.1021/jm501173q | ||
| 44406597 | 72564 | 0 | None | -12 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 339 | 3 | 1 | 3 | 3.2 | COC1(C#CC(O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200432 | 72564 | 0 | None | -12 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 339 | 3 | 1 | 3 | 3.2 | COC1(C#CC(O)(c2ccccc2)C2CCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406686 | 140380 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL382213 | 140380 | 0 | None | -3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2cccnc2F)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44382699 | 58828 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 530 | 6 | 0 | 8 | 4.1 | CC(C)OC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL169876 | 58828 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 530 | 6 | 0 | 8 | 4.1 | CC(C)OC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 129989 | 447 | 41 | None | 1 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| 8584 | 447 | 41 | None | 1 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| CHEMBL43383 | 447 | 41 | None | 1 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00046a021 | ||
| 44292486 | 180929 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL47650 | 180929 | 0 | None | - | 1 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.0 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(CF)cc1 | 10.1021/jm00010a016 | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| 118710670 | 120320 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323284 | 120320 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558233 | 120320 | 0 | None | -1 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 16115801 | 12189 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL1184882 | 12189 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL375851 | 12189 | 0 | None | -1 | 5 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 340 | 3 | 0 | 2 | 4.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 9883040 | 100071 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL291339 | 100071 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL542622 | 100071 | 0 | None | -8 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 307 | 8 | 0 | 5 | 3.2 | CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 | 10.1016/s0960-894x(99)00313-3 | ||
| 70685504 | 74105 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021478 | 74105 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027846 | 74105 | 0 | None | 1 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(CC(=O)N1c2ccccc2NC(=O)c2ccccc21)[C@H]1CCCC[C@H]1N(C)C | 10.1016/j.bmc.2008.06.025 | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm500790x | ||
| 164625419 | 188005 | 0 | None | 5 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4862087 | 188005 | 0 | None | 5 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028881 | 188005 | 0 | None | 5 | 3 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 504 | 8 | 2 | 6 | 3.0 | NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 71461681 | 79130 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114067 | 79130 | 0 | None | 5 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 425 | 6 | 0 | 4 | 5.1 | COc1ccc([S@@+]([O-])c2ccc(C(=O)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 59291461 | 112278 | 0 | None | -17 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298334 | 112278 | 0 | None | -17 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305613 | 112278 | 0 | None | -17 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 328 | 3 | 1 | 4 | 4.2 | O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 23983764 | 10235 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL1162116 | 10235 | 0 | None | 1 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 217 | 3 | 0 | 5 | 1.3 | Cc1nccn1CC#CCOc1ccon1 | 10.1016/j.bmc.2007.12.036 | ||
| 154417 | 92828 | 57 | None | -9 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL2449003 | 92828 | 57 | None | -9 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 1201549 | 590 | 22 | None | -5 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 333 | 590 | 22 | None | -5 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 7601 | 590 | 22 | None | -5 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL1201203 | 590 | 22 | None | -5 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL438151 | 590 | 22 | None | -5 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| DB00245 | 590 | 22 | None | -5 | 20 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | nan | ||
| 9892600 | 58188 | 0 | None | -1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 12 | 2 | 6 | 5.0 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O | 10.1016/S0960-894X(00)80542-9 | ||
| CHEMBL168329 | 58188 | 0 | None | -1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 511 | 12 | 2 | 6 | 5.0 | Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O | 10.1016/S0960-894X(00)80542-9 | ||
| 14939897 | 96101 | 0 | None | -2 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL1201994 | 96101 | 0 | None | -2 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL262913 | 96101 | 0 | None | -2 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1113 | 33 | 2 | 12 | 12.0 | COc1ccccc1CN(CCCCCCN(C)CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc21)Cc1ccccc1OC)CC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44311761 | 102377 | 0 | None | 15 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 496 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| CHEMBL305607 | 102377 | 0 | None | 15 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 496 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1 | 10.1016/s0960-894x(00)00457-1 | ||
| 9889312 | 78021 | 0 | None | 2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | 2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 9798900 | 62806 | 0 | None | -26 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1779047 | 62806 | 0 | None | -26 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL1789446 | 62806 | 0 | None | -26 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 322 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44311761 | 102377 | 0 | None | 15 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 496 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| CHEMBL305607 | 102377 | 0 | None | 15 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 496 | 7 | 0 | 5 | 4.7 | C=C(c1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1)C1CCN(C2CCN(C(=O)CC)CC2)CC1 | 10.1016/j.bmcl.2007.01.058 | ||
| 1734 | 116 | 8 | None | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| 307 | 116 | 8 | None | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL168067 | 116 | 8 | None | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00403-G | ||
| 69058946 | 105993 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084658 | 105993 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140110 | 105993 | 0 | None | -2 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 4 | 1 | 1 | 4.3 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 44233192 | 106000 | 0 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084643 | 106000 | 0 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3140141 | 106000 | 0 | None | -3 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 350 | 5 | 1 | 1 | 4.4 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](CC(CO)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 70687661 | 74104 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021476 | 74104 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027845 | 74104 | 0 | None | 3 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 1734 | 116 | 8 | None | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| 307 | 116 | 8 | None | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL168067 | 116 | 8 | None | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 10.1016/0960-894X(95)00113-8 | ||
| 11039424 | 78506 | 1 | None | -97 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112955 | 78506 | 1 | None | -97 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 622 | 14 | 3 | 4 | 5.4 | O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 155529196 | 170844 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4462631 | 170844 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 368 | 4 | 0 | 3 | 4.4 | Cc1ccc(COC(=O)N(c2ccccc2)C2CN3CCC2CC3)cc1F | 10.1016/j.bmcl.2018.12.022 | ||
| 155554149 | 174874 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4576768 | 174874 | 0 | None | -1 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 380 | 4 | 0 | 5 | 3.7 | O=C(OCc1ccc2c(c1)OCO2)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 10500741 | 38310 | 0 | None | -12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL146464 | 38310 | 0 | None | -12 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 3.8 | O=C(NC1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 10104 | 3510 | 7 | None | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 6604866 | 3510 | 7 | None | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| CHEMBL1493369 | 3510 | 7 | None | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 10.1021/jm020895l | ||
| 132712 | 171232 | 13 | None | 5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4468100 | 171232 | 13 | None | 5 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 567 | 10 | 1 | 5 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 73353378 | 89372 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 4 | 1 | 4 | 2.4 | CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377268 | 89372 | 0 | None | -2 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 331 | 4 | 1 | 4 | 2.4 | CN1CCC(OC(=O)C(CO)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2013.01.072 | ||
| 44309231 | 168931 | 0 | None | -301 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 6 | 2 | 3 | 3.7 | CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL443267 | 168931 | 0 | None | -301 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 6 | 2 | 3 | 3.7 | CCC1(CCN)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44308913 | 202269 | 0 | None | -19 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 4 | 2 | 4 | 0.9 | NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69402 | 202269 | 0 | None | -19 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 381 | 4 | 2 | 4 | 0.9 | NCC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 155511167 | 168991 | 0 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4435641 | 168991 | 0 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 432 | 6 | 0 | 3 | 5.7 | O=C(OCCCc1ccc(Cl)c(Cl)c1)N(c1ccccc1)C1CN2CCC1CC2 | 10.1016/j.bmcl.2018.12.022 | ||
| 10105296 | 204206 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| CHEMBL84113 | 204206 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 231 | 2 | 1 | 3 | 2.1 | O=C(OC1CC2CCCC1N2)c1ccccc1 | 10.1021/jm9904001 | ||
| 10244370 | 121011 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 260 | 1 | 1 | 4 | 2.2 | OC1(c2nc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL358505 | 121011 | 0 | None | -2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 260 | 1 | 1 | 4 | 2.2 | OC1(c2nc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 16086003 | 80021 | 0 | None | -724 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL214642 | 80021 | 0 | None | -724 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 14964497 | 14176 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119985 | 14176 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 15749863 | 154074 | 5 | None | -3 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 197 | 0 | 0 | 3 | 1.2 | CC1(C)OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL39922 | 154074 | 5 | None | -3 | 2 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 197 | 0 | 0 | 3 | 1.2 | CC1(C)OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 156009611 | 177682 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634605 | 177682 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650698 | 177682 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156015730 | 177741 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4644389 | 177741 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651081 | 177741 | 0 | None | 2 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 16125508 | 83915 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 4.0 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL221660 | 83915 | 0 | None | 3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 4.0 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1 | 10.1021/jm061159a | ||
| 16125680 | 136114 | 0 | None | -70 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 5 | 1 | 2 | 4.8 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(F)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL373994 | 136114 | 0 | None | -70 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 429 | 5 | 1 | 2 | 4.8 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(F)c2)CC1 | 10.1021/jm061159a | ||
| 44593621 | 192694 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524061 | 192694 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 611101 | 202181 | 2 | None | -2 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 380 | 4 | 2 | 6 | 0.9 | NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68771 | 202181 | 2 | None | -2 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 380 | 4 | 2 | 6 | 0.9 | NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 10315426 | 100579 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL294663 | 100579 | 0 | None | 2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 343 | 0 | 0 | 3 | 3.9 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 118710666 | 120316 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323282 | 120316 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558210 | 120316 | 0 | None | -4 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 155559291 | 176085 | 0 | None | 3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4563530 | 176085 | 0 | None | 3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598099 | 176085 | 0 | None | 3 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 689 | 16 | 5 | 7 | 3.2 | CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 24894514 | 172165 | 3 | None | 1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL450729 | 172165 | 3 | None | 1 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 463493 | 201941 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 575 | 6 | 0 | 7 | 4.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL67172 | 201941 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 575 | 6 | 0 | 7 | 4.3 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 44400323 | 68327 | 0 | None | -2 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 5 | 1 | 4 | 2.4 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192065 | 68327 | 0 | None | -2 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 361 | 5 | 1 | 4 | 2.4 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.02.036 | ||
| 9859365 | 8412 | 2 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2cc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL109405 | 8412 | 2 | None | -3 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2cc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 16125589 | 84275 | 0 | None | -16 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 6 | 1 | 2 | 4.1 | C[N+]1(CC(=O)c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222636 | 84275 | 0 | None | -16 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 440 | 6 | 1 | 2 | 4.1 | C[N+]1(CC(=O)c2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 44449463 | 95659 | 0 | None | -12 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.3 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL260228 | 95659 | 0 | None | -12 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.3 | CO[C@]1(C#C[C@@](O)(c2ccccc2)C2CCCCCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 44627744 | 13926 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197389 | 13926 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL569729 | 13926 | 0 | None | -1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 348 | 4 | 1 | 2 | 4.5 | C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 6472 | 201059 | 33 | None | -4 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL61946 | 201059 | 33 | None | -4 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00114a005 | ||
| 44318736 | 106538 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| CHEMBL315428 | 106538 | 0 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| 16086066 | 138705 | 0 | None | -794 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL378872 | 138705 | 0 | None | -794 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 710 | 9 | 3 | 5 | 5.4 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 10503358 | 38450 | 0 | None | -354 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 4.4 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL146567 | 38450 | 0 | None | -354 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 442 | 6 | 2 | 3 | 4.4 | Cc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 10647703 | 120455 | 0 | None | -123 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 461 | 6 | 3 | 4 | 3.8 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F | 10.1021/jm0003135 | ||
| CHEMBL356181 | 120455 | 0 | None | -123 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 461 | 6 | 3 | 4 | 3.8 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1F | 10.1021/jm0003135 | ||
| 44318851 | 104247 | 0 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL310558 | 104247 | 0 | None | -3 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 183 | 2 | 1 | 3 | 1.2 | CCC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 10984804 | 98024 | 0 | None | -30 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 592 | 9 | 2 | 4 | 4.5 | O=C(NC[C@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL275914 | 98024 | 0 | None | -30 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 592 | 9 | 2 | 4 | 4.5 | O=C(NC[C@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 10835518 | 40086 | 0 | None | -257 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 412 | 6 | 2 | 3 | 4.6 | O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL148129 | 40086 | 0 | None | -257 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 412 | 6 | 2 | 3 | 4.6 | O=C(NC1CCN(CC2CCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 44383554 | 120277 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL355475 | 120277 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 347 | 4 | 0 | 3 | 4.5 | CC1CCCN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C1 | 10.1016/s0960-894x(99)00101-8 | ||
| 44406476 | 139994 | 0 | None | -15 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 3 | 1 | 4 | 2.2 | COC1(C#CC(O)(c2ccccn2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL381020 | 139994 | 0 | None | -15 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 326 | 3 | 1 | 4 | 2.2 | COC1(C#CC(O)(c2ccccn2)C2CCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 9913892 | 204122 | 0 | None | -100 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 6 | 0 | 5 | 5.7 | O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL83459 | 204122 | 0 | None | -100 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 499 | 6 | 0 | 5 | 5.7 | O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44319006 | 204452 | 0 | None | -12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 6 | 0 | 2 | 4.9 | O=C(Cc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL86309 | 204452 | 0 | None | -12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 384 | 6 | 0 | 2 | 4.9 | O=C(Cc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 10044685 | 204610 | 5 | None | -12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 5 | 0 | 2 | 5.0 | O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL87302 | 204610 | 5 | None | -12 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 5 | 0 | 2 | 5.0 | O=C(c1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 10109893 | 81753 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL216983 | 81753 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| CHEMBL544840 | 81753 | 0 | None | -1 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 373 | 13 | 1 | 9 | 0.7 | CN1CCC=C(c2nsnc2OCCOCCOCCOCCO)C1 | 10.1021/jm0606995 | ||
| 44406342 | 71826 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 375 | 5 | 1 | 3 | 3.3 | COC1(C#CC(O)(Cc2ccccc2)Cc2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL197973 | 71826 | 0 | None | -5 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 375 | 5 | 1 | 3 | 3.3 | COC1(C#CC(O)(Cc2ccccc2)Cc2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 11536903 | 2365 | 56 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.03.084 | ||
| 3262 | 2365 | 56 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.03.084 | ||
| CHEMBL3770346 | 2365 | 56 | None | -6 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1016/j.bmcl.2017.03.084 | ||
| 10164480 | 43099 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 5 | 4.9 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc(S(=O)(=O)C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL150707 | 43099 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 5 | 4.9 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc(S(=O)(=O)C(C)C)cc1 | 10.1021/jm0255163 | ||
| 6472 | 201059 | 33 | None | -4 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL61946 | 201059 | 33 | None | -4 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| 9985181 | 119852 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 9 | 1 | 4 | 6.1 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL353140 | 119852 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 556 | 9 | 1 | 4 | 6.1 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| 44383653 | 120338 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL355854 | 120338 | 0 | None | -1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 10969390 | 59365 | 0 | None | -4 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL172233 | 59365 | 0 | None | -4 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 324 | 7 | 0 | 2 | 4.5 | CC(C1=C(CCN(C)CCF)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 9843967 | 154920 | 1 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.4 | Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1 | 10.1016/s0960-894x(99)00432-1 | ||
| CHEMBL40391 | 154920 | 1 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 400 | 7 | 1 | 5 | 3.4 | Nc1cccc(-c2ccc(CCN3CCN(CC(=O)c4ccccc4)CC3)cc2)n1 | 10.1016/s0960-894x(99)00432-1 | ||
| 10092649 | 192471 | 51 | None | -28 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| CHEMBL522460 | 192471 | 51 | None | -28 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 4 | 1 | 4 | 3.9 | Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 | 10.1021/jm100697g | ||
| 11794901 | 119078 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL346194 | 119078 | 0 | None | -22 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccccn2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 611066 | 156967 | 1 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 4 | 2 | 6 | 0.9 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCO)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL407975 | 156967 | 1 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 381 | 4 | 2 | 6 | 0.9 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCO)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 10043954 | 81866 | 0 | None | 3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21716 | 81866 | 0 | None | 3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.12.036 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.12.036 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 164624458 | 187998 | 0 | None | 11 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4863121 | 187998 | 0 | None | 11 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028823 | 187998 | 0 | None | 11 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 873 | 19 | 9 | 12 | -0.6 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164625211 | 188003 | 0 | None | 15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4869865 | 188003 | 0 | None | 15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028864 | 188003 | 0 | None | 15 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 171578 | 12198 | 5 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| CHEMBL1184962 | 12198 | 5 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| CHEMBL380759 | 12198 | 5 | None | -1 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 281 | 3 | 1 | 2 | 2.6 | C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1 | 10.1021/jm0510878 | ||
| 162353374 | 179463 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747590 | 179463 | 0 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.2 | CC1CCCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 118719925 | 115279 | 0 | None | -43 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354072 | 115279 | 0 | None | -43 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 330 | 7 | 1 | 3 | 2.8 | O=C1CCc2ccccc2N1CCCN1CCC(CCCO)CC1 | 10.1021/jm501173q | ||
| 44627856 | 195813 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569953 | 195813 | 0 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 290 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1021/jm800145d | ||
| 7141656 | 176263 | 6 | None | 3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL461089 | 176263 | 6 | None | 3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc([C@H]2CCCN2)o1 | 10.1021/jm800145d | ||
| 290 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmc.2009.10.027 | ||
| 290 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 4022 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 5926 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL40554 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL74300 | 2438 | 4 | None | -6 | 7 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 10.1016/j.bmcl.2014.06.020 | ||
| 156015484 | 177716 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(-c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645254 | 177716 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(-c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650952 | 177716 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc(-c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11101362 | 5056 | 0 | None | -8 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105674 | 5056 | 0 | None | -8 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 396 | 2 | 1 | 4 | 4.8 | CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(Cl)ccc2C1O3 | 10.1021/jm011116o | ||
| 16125567 | 84334 | 0 | None | -104 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 5 | 1 | 2 | 5.3 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL223016 | 84334 | 0 | None | -104 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 445 | 5 | 1 | 2 | 5.3 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1 | 10.1021/jm061159a | ||
| 16125507 | 165626 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 4.5 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCOc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL426393 | 165626 | 0 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 441 | 7 | 1 | 3 | 4.5 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCOc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 44312464 | 202950 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 468 | 5 | 0 | 4 | 5.8 | CC(c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73661 | 202950 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 468 | 5 | 0 | 4 | 5.8 | CC(c1ccc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 11759212 | 57586 | 0 | None | -40 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL167223 | 57586 | 0 | None | -40 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 10316726 | 11923 | 0 | None | -35 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL1183364 | 11923 | 0 | None | -35 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL292857 | 11923 | 0 | None | -35 | 5 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 364 | 2 | 0 | 3 | 3.6 | C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(c2ccccc2)(c2ccccc2)O1 | 10.1016/0960-894X(95)00403-G | ||
| 155554262 | 175981 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4582069 | 175981 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597244 | 175981 | 0 | None | 1 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 797 | 15 | 6 | 7 | 5.6 | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 57326233 | 76833 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042406 | 76833 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079010 | 76833 | 0 | None | -2 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 145960466 | 160976 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128341 | 160976 | 0 | None | -7 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 10058649 | 35896 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 201 | 1 | 1 | 2 | 2.5 | Oc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144434 | 35896 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 201 | 1 | 1 | 2 | 2.5 | Oc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 10670917 | 164512 | 0 | None | -102 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL422665 | 164512 | 0 | None | -102 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 443 | 6 | 3 | 4 | 3.7 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 14964495 | 12505 | 1 | None | 4 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118700 | 12505 | 1 | None | 4 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 10739662 | 42031 | 0 | None | -194 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL149769 | 42031 | 0 | None | -194 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(CC2CCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 10066972 | 98299 | 0 | None | 3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL278074 | 98299 | 0 | None | 3 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2ccncc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 109035013 | 179893 | 1 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4752973 | 179893 | 1 | None | 1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.1 | O=C(CCN1CCCc2ccccc21)Nc1ccc(Cl)cc1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353383 | 181995 | 0 | None | 2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4787944 | 181995 | 0 | None | 2 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 284 | 4 | 1 | 4 | 2.2 | Cn1ccc(NC(=O)CCN2CCCc3ccccc32)n1 | 10.1016/j.bmcl.2020.127632 | ||
| 71449073 | 78172 | 0 | None | -8 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 2 | 2 | 6 | 0.6 | O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| CHEMBL2112217 | 78172 | 0 | None | -8 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 338 | 2 | 2 | 6 | 0.6 | O=C1Nc2cccnc2N(C(=O)CN2CCNCC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| 631645 | 164324 | 1 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 565 | 9 | 3 | 8 | 2.4 | CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL422053 | 164324 | 1 | None | 1 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 565 | 9 | 3 | 8 | 2.4 | CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44443731 | 93778 | 0 | None | -36 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 7 | 2 | 3 | 3.4 | O=C(N[C@H]1[C@@H]2CN(CCc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249830 | 93778 | 0 | None | -36 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 404 | 7 | 2 | 3 | 3.4 | O=C(N[C@H]1[C@@H]2CN(CCc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 24882532 | 94674 | 0 | None | -26 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| CHEMBL255523 | 94674 | 0 | None | -26 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.4 | CCN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2Cl)CC1 | 10.1016/j.bmcl.2007.12.051 | ||
| 10160073 | 110701 | 0 | None | -338 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL326450 | 110701 | 0 | None | -338 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 156015465 | 177749 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4640926 | 177749 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651115 | 177749 | 0 | None | -1 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 344 | 5 | 0 | 3 | 4.0 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(Sc3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 46227485 | 14008 | 0 | None | -3 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198034 | 14008 | 0 | None | -3 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593620 | 14008 | 0 | None | -3 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 10160073 | 110701 | 0 | None | -338 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| CHEMBL326450 | 110701 | 0 | None | -338 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 434 | 6 | 1 | 5 | 5.1 | CCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm301774u | ||
| 10381417 | 68326 | 0 | None | 1 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 4.6 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2C)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192061 | 68326 | 0 | None | 1 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 4.6 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2C)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44312460 | 202915 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 4 | 0 | 4 | 2.8 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73410 | 202915 | 0 | None | 2 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 344 | 4 | 0 | 4 | 2.8 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44382247 | 30286 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 634 | 7 | 0 | 8 | 5.1 | O=S(=O)(c1ccc(OC2CCN(C3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)CC2)cc1)c1ccc2c(c1)OCO2 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL139311 | 30286 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 634 | 7 | 0 | 8 | 5.1 | O=S(=O)(c1ccc(OC2CCN(C3CCN(S(=O)(=O)c4cccc5ccccc45)CC3)CC2)cc1)c1ccc2c(c1)OCO2 | 10.1016/s0960-894x(01)00100-7 | ||
| 44325051 | 111206 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 8 | 0 | 7 | 3.7 | CCCS(=O)(=O)N1CCC(N2CCC(C(=O)c3ccc([S+]([O-])c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL328659 | 111206 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 8 | 0 | 7 | 3.7 | CCCS(=O)(=O)N1CCC(N2CCC(C(=O)c3ccc([S+]([O-])c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 10623721 | 38116 | 0 | None | -162 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 457 | 7 | 3 | 4 | 3.5 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL146307 | 38116 | 0 | None | -162 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 457 | 7 | 3 | 4 | 3.5 | NCc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)c1 | 10.1021/jm0003135 | ||
| 237 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | nan | ||
| 15050951 | 164373 | 0 | None | 1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 493 | 8 | 3 | 7 | 0.6 | CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL422407 | 164373 | 0 | None | 1 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 493 | 8 | 3 | 7 | 0.6 | CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 162353381 | 179449 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4747438 | 179449 | 0 | None | -3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 287 | 4 | 1 | 4 | 2.9 | O=C(CCN1CCCc2ccccc21)Nc1nccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 462395 | 114704 | 1 | None | -128 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 4 | 0 | 4 | 5.4 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL334470 | 114704 | 1 | None | -128 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 4 | 0 | 4 | 5.4 | C[C@H]1CN(C2(C)CCN(C(=O)c3c(Cl)c[n+]([O-])cc3Cl)CC2)CCN1[C@@H](C)c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(02)00918-6 | ||
| 422063 | 194403 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377384 | 194403 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL560649 | 194403 | 2 | None | -2 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 298 | 6 | 0 | 2 | 3.1 | C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 44443724 | 93555 | 0 | None | -51 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.1 | O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL248614 | 93555 | 0 | None | -51 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 418 | 6 | 2 | 3 | 4.1 | O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 456319 | 202377 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.7 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL70124 | 202377 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 539 | 6 | 0 | 5 | 5.7 | Cc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 44296053 | 189064 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 539 | 6 | 1 | 5 | 4.7 | CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5ccccc5Cl)CC4)CC3)OCCO2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51515 | 189064 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 539 | 6 | 1 | 5 | 4.7 | CC(C)NC(=O)c1ccc(C2(C3CCN(C4CCN(C(=O)c5ccccc5Cl)CC4)CC3)OCCO2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 205895 | 11763 | 2 | None | 1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL118240 | 11763 | 2 | None | 1 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| 155565770 | 175051 | 0 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| CHEMBL4580590 | 175051 | 0 | None | -5 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 410 | 7 | 0 | 5 | 4.0 | COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC | 10.1016/j.bmcl.2018.12.022 | ||
| 11567493 | 200117 | 9 | None | -15 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606902 | 200117 | 9 | None | -15 | 3 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 461838 | 201953 | 1 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 611 | 6 | 0 | 7 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3F)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL67281 | 201953 | 1 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 611 | 6 | 0 | 7 | 4.9 | C[C@H]1CN(C2CCN(C(=O)c3c(F)cccc3F)CC2)CCN1[C@@H](C)c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1 | 10.1016/s0960-894x(01)00381-x | ||
| 44382858 | 58904 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 333 | 4 | 0 | 3 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL170205 | 58904 | 0 | None | 1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 333 | 4 | 0 | 3 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 145963288 | 161067 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129723 | 161067 | 0 | None | -2 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 56672197 | 66229 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1824785 | 66229 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1852489 | 66229 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 245 | 2 | 0 | 1 | 3.6 | Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1 | 10.1016/j.bmcl.2011.07.028 | ||
| 44450621 | 95388 | 0 | None | 3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258906 | 95388 | 0 | None | 3 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 162353375 | 179315 | 0 | None | 4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4745885 | 179315 | 0 | None | 4 | 4 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 274 | 4 | 0 | 3 | 1.7 | COC1CN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44448575 | 11812 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182650 | 11812 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL258161 | 11812 | 0 | None | -4 | 5 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 324 | 6 | 1 | 3 | 3.0 | CN1CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 73355419 | 92117 | 0 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 2.7 | CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432059 | 92117 | 0 | None | -3 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 280 | 4 | 0 | 2 | 2.7 | CN(CCc1ccccn1)[C@H]1C2C3CC4C5C3CC2C5C41 | 10.1016/j.bmc.2013.07.045 | ||
| 44400800 | 165257 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 2.5 | O=C(NCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL424832 | 165257 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 2.5 | O=C(NCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44312455 | 202854 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 3.9 | CC(c1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL72956 | 202854 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 3.9 | CC(c1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1)N1CCN(C2CCCCC2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 10.1021/jm8007618 | ||
| 1687 | 103930 | 15 | None | -15 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL310310 | 103930 | 15 | None | -15 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL540034 | 103930 | 15 | None | -15 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| 44318736 | 106538 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| CHEMBL315428 | 106538 | 0 | None | -2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 276 | 3 | 1 | 5 | 2.0 | O=C(OC1CC2CCCC1N2)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm9904001 | ||
| 44318766 | 204037 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| CHEMBL82754 | 204037 | 0 | None | -4 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| 44308798 | 202349 | 0 | None | -19 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 4.4 | O=C(N1CCC(CCN2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69904 | 202349 | 0 | None | -19 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 434 | 6 | 1 | 3 | 4.4 | O=C(N1CCC(CCN2CCCCC2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10925451 | 58464 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL168707 | 58464 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 4.8 | CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc21)c1ccccn1 | 10.1021/jm020895l | ||
| 25067048 | 12227 | 0 | None | -28 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185245 | 12227 | 0 | None | -28 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL402207 | 12227 | 0 | None | -28 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 646 | 13 | 2 | 2 | 8.1 | C[N+]1(CCCC(O)(c2ccccc2)c2ccccc2)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44627855 | 195695 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569212 | 195695 | 0 | None | -1 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 162353377 | 180583 | 0 | None | 2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760904 | 180583 | 0 | None | 2 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 272 | 2 | 0 | 2 | 2.8 | CC1CCc2ccccc2N1CC(=O)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353372 | 180805 | 0 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763422 | 180805 | 0 | None | 1 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.2 | O=C(CCN1CCCc2ccccc21)N1CCCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 71450996 | 79277 | 0 | None | -3 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2115361 | 79277 | 0 | None | -3 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 10408304 | 102969 | 0 | None | -11 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084896 | 102969 | 0 | None | -11 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 393 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)C2 | 10.1021/jm00020a006 | ||
| 13773342 | 79272 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2115341 | 79272 | 0 | None | - | 1 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 44312081 | 202545 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 2.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL71088 | 202545 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 2.5 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | nan | ||
| 10646948 | 37649 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 6 | 3 | 4 | 3.8 | O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL145913 | 37649 | 0 | None | -30 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 6 | 3 | 4 | 3.8 | O=C(NC1CCN(Cc2cccc(O)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 44379281 | 57242 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 506 | 9 | 1 | 5 | 5.3 | CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL166385 | 57242 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 506 | 9 | 1 | 5 | 5.3 | CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| 10041771 | 102957 | 0 | None | -13 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 0 | 2 | 4.7 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084881 | 102957 | 0 | None | -13 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 4 | 0 | 2 | 4.7 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| 16086004 | 138707 | 0 | None | -1000 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| CHEMBL378885 | 138707 | 0 | None | -1000 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 608 | 9 | 3 | 5 | 3.5 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1 | 10.1021/jm051205r | ||
| 25070031 | 65054 | 10 | None | -1862 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 2.7 | C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1 | 10.1021/jm200401v | ||
| CHEMBL1829335 | 65054 | 10 | None | -1862 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 313 | 6 | 1 | 4 | 2.7 | C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1 | 10.1021/jm200401v | ||
| 10397468 | 188377 | 2 | None | -1 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL50831 | 188377 | 2 | None | -1 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| 10501523 | 40280 | 0 | None | -169 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL148310 | 40280 | 0 | None | -169 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1ccccc1CN1CCC(NC(=O)C(O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| 10951142 | 5151 | 0 | None | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106219 | 5151 | 0 | None | -7 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 496 | 6 | 0 | 6 | 5.9 | CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 24894628 | 178544 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL471942 | 178544 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL554532 | 178544 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 24865895 | 95559 | 0 | None | 1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259662 | 95559 | 0 | None | 1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL390842 | 95559 | 0 | None | 1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 1224 | 1404 | 79 | None | -6 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 3100 | 1404 | 79 | None | -6 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 8980 | 1404 | 79 | None | -6 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 916 | 1404 | 79 | None | -6 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| CHEMBL657 | 1404 | 79 | None | -6 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| DB01075 | 1404 | 79 | None | -6 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | nan | ||
| 44382840 | 120226 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 3.9 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)O1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL354934 | 120226 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 363 | 4 | 0 | 4 | 3.9 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)CC(C)O1 | 10.1016/s0960-894x(99)00101-8 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00402a035 | ||
| 44437227 | 11773 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 194 | 3 | 0 | 4 | 0.9 | Cc1cc(OCC#CCN(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182447 | 11773 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 194 | 3 | 0 | 4 | 0.9 | Cc1cc(OCC#CCN(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239017 | 11773 | 0 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 194 | 3 | 0 | 4 | 0.9 | Cc1cc(OCC#CCN(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 124087 | 1362 | 106 | None | -6 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 7157 | 1362 | 106 | None | -6 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 814 | 1362 | 106 | None | -6 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| CHEMBL1172 | 1362 | 106 | None | -6 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| DB00967 | 1362 | 106 | None | -6 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | nan | ||
| 100 | 3745 | 52 | None | -19 | 55 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2637 | 3745 | 52 | None | -19 | 55 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 5452 | 3745 | 52 | None | -19 | 55 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| CHEMBL479 | 3745 | 52 | None | -19 | 55 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| DB00679 | 3745 | 52 | None | -19 | 55 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | nan | ||
| 2733638 | 11809 | 2 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 6508731 | 11809 | 2 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 8030329 | 11809 | 2 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1182640 | 11809 | 2 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL257643 | 11809 | 2 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 395 | 12 | 0 | 1 | 5.3 | CCN(CC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm9904001 | ||
| 44593620 | 187353 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496915 | 187353 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 10248845 | 122256 | 0 | None | -3 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 3.1 | CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL360491 | 122256 | 0 | None | -3 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 374 | 6 | 0 | 3 | 3.1 | CCN(CC)CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 14964507 | 113856 | 1 | None | -5 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL333107 | 113856 | 1 | None | -5 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 10443767 | 13769 | 1 | None | -3 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2nncc3ccccc23)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1196108 | 13769 | 1 | None | -3 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2nncc3ccccc23)CC1 | 10.1021/jm9705418 | ||
| CHEMBL555955 | 13769 | 1 | None | -3 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 1.4 | CN1CCN(c2nncc3ccccc23)CC1 | 10.1021/jm9705418 | ||
| 9911615 | 98574 | 0 | None | -1905 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL280220 | 98574 | 0 | None | -1905 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 450 | 5 | 0 | 6 | 5.5 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(SC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 44286172 | 143940 | 0 | None | 1 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 166 | 2 | 1 | 2 | -0.2 | CNCC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL39067 | 143940 | 0 | None | 1 | 2 | Rat | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 166 | 2 | 1 | 2 | -0.2 | CNCC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 135 | 2496 | 38 | None | -25 | 57 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 1796 | 2496 | 38 | None | -25 | 57 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 4184 | 2496 | 38 | None | -25 | 57 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| CHEMBL6437 | 2496 | 38 | None | -25 | 57 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| DB06148 | 2496 | 38 | None | -25 | 57 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | nan | ||
| 2284 | 3133 | 27 | None | -21 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 4926 | 3133 | 27 | None | -21 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 7281 | 3133 | 27 | None | -21 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| CHEMBL564 | 3133 | 27 | None | -21 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| DB00420 | 3133 | 27 | None | -21 | 28 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | nan | ||
| 108993425 | 181176 | 1 | None | 3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777543 | 181176 | 1 | None | 3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 244 | 2 | 0 | 2 | 2.1 | O=C(CN1CCCc2ccccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44274477 | 165016 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL424214 | 165016 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 2.8 | CN1CCN(C(=O)C2=C/C(=C\c3ccncc3)c3ccccc32)CC1 | 10.1016/s0960-894x(01)00186-x | ||
| 11595794 | 135178 | 0 | None | -3 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| CHEMBL372983 | 135178 | 0 | None | -3 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 2 | 0 | 3 | 4.4 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 | 10.1021/jm050099q | ||
| 59291324 | 112281 | 0 | None | -4 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298593 | 112281 | 0 | None | -4 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305622 | 112281 | 0 | None | -4 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 329 | 3 | 1 | 5 | 3.5 | O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 44443730 | 93599 | 0 | None | -21 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 432 | 6 | 2 | 3 | 4.7 | CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL248811 | 93599 | 0 | None | -21 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 432 | 6 | 2 | 3 | 4.7 | CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| 10340096 | 102958 | 0 | None | -10 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 4 | 0 | 2 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084882 | 102958 | 0 | None | -10 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 385 | 4 | 0 | 2 | 5.2 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| 10269809 | 158834 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 3 | 0 | 2 | 4.1 | COC1(C#CC(C)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL410061 | 158834 | 0 | None | -2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 3 | 0 | 2 | 4.1 | COC1(C#CC(C)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 44593616 | 192611 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL523518 | 192611 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.6b01892 | ||
| 44418764 | 81747 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| CHEMBL216928 | 81747 | 0 | None | -1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.8 | COc1nsc(OCCOCCOCCOCCOc2nsnc2C2C=CCCN2C)n1 | 10.1021/jm0606995 | ||
| 16094791 | 82844 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL218755 | 82844 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 443 | 13 | 0 | 12 | 1.6 | COc1nsnc1OCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 16094783 | 136044 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL373888 | 136044 | 0 | None | 1 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 399 | 10 | 0 | 11 | 1.6 | COc1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 15196234 | 118000 | 3 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccco2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL341476 | 118000 | 3 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 175 | 1 | 0 | 2 | 2.3 | C1=C(c2ccco2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 3941250 | 13226 | 18 | None | -70 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 334 | 8 | 0 | 5 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1192187 | 13226 | 18 | None | -70 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 334 | 8 | 0 | 5 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL543382 | 13226 | 18 | None | -70 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 334 | 8 | 0 | 5 | 3.3 | CCN(CC)CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44309090 | 202054 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 366 | 6 | 3 | 3 | 2.8 | O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL67873 | 202054 | 0 | None | -43 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 366 | 6 | 3 | 3 | 2.8 | O=C(NCCC1CCNCC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1016/s0960-894x(03)00350-0 | ||
| 137644950 | 157946 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 206 | 4 | 0 | 3 | 1.6 | CN1CCC(COCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091032 | 157946 | 0 | None | -1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 206 | 4 | 0 | 3 | 1.6 | CN1CCC(COCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 11099206 | 120274 | 0 | None | 2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355455 | 120274 | 0 | None | 2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 318 | 5 | 0 | 2 | 4.7 | CC(C1=C(CCN2CCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44319008 | 204048 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 4 | 0 | 2 | 4.5 | CC(=O)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL82850 | 204048 | 0 | None | -2 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 386 | 4 | 0 | 2 | 4.5 | CC(=O)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44339685 | 109975 | 0 | None | 1 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL324725 | 109975 | 0 | None | 1 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 9978073 | 93634 | 0 | None | -7 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 3.4 | O=C(N[C@H]1[C@@H]2CN(Cc3cccs3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249005 | 93634 | 0 | None | -7 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 396 | 6 | 2 | 4 | 3.4 | O=C(N[C@H]1[C@@H]2CN(Cc3cccs3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 44448385 | 11805 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182633 | 11805 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257174 | 11805 | 0 | None | -3 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 406 | 7 | 1 | 3 | 4.8 | CN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 44318781 | 106495 | 0 | None | -5 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.9 | O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL315127 | 106495 | 0 | None | -5 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 415 | 6 | 0 | 4 | 4.9 | O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 11759058 | 120336 | 0 | None | 1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL355851 | 120336 | 0 | None | 1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 57326146 | 76834 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042403 | 76834 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079020 | 76834 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 55005 | 104296 | 7 | None | -1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL310852 | 104296 | 7 | None | -1 | 3 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.09.079 | ||
| 44406662 | 165730 | 0 | None | -12 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2ccc(F)nc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL427013 | 165730 | 0 | None | -12 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 366 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccc2)c2ccc(F)nc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44378914 | 119525 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCN(C)CC1 | 10.1021/jm00001a002 | ||
| CHEMBL350332 | 119525 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCN(C)CC1 | 10.1021/jm00001a002 | ||
| 155560013 | 175726 | 0 | None | 6 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4564922 | 175726 | 0 | None | 6 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595198 | 175726 | 0 | None | 6 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 789 | 21 | 9 | 9 | 1.4 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44593618 | 186876 | 0 | None | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493979 | 186876 | 0 | None | 1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10073079 | 101050 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 3.2 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(I)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL298085 | 101050 | 0 | None | - | 1 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 3.2 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(I)cc1 | 10.1021/jm00010a016 | ||
| 16115798 | 137352 | 0 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL376255 | 137352 | 0 | None | -3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 155516383 | 176099 | 0 | None | 5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4443219 | 176099 | 0 | None | 5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598230 | 176099 | 0 | None | 5 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 129989 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 8584 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL43383 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 14939893 | 9443 | 0 | None | -1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| CHEMBL112244 | 9443 | 0 | None | -1 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm00046a021 | ||
| 44267730 | 16310 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 534 | 7 | 0 | 5 | 5.8 | COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccc(F)cc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12354 | 16310 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 534 | 7 | 0 | 5 | 5.8 | COC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccc(F)cc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44383653 | 120338 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL355854 | 120338 | 0 | None | -1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 44378982 | 57276 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 632 | 7 | 1 | 8 | 4.6 | CC(=O)Nc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL166685 | 57276 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 632 | 7 | 1 | 8 | 4.6 | CC(=O)Nc1ccccc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| 16115799 | 83029 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL219825 | 83029 | 0 | None | -4 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 331 | 3 | 0 | 3 | 4.6 | CN1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 156015254 | 177712 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4649420 | 177712 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4650938 | 177712 | 0 | None | 3 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 984 | 19 | 2 | 7 | 10.6 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 70681307 | 74107 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021479 | 74107 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027890 | 74107 | 0 | None | 2 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 10365639 | 120346 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 8 | 2 | 4 | 4.4 | CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL355874 | 120346 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 8 | 2 | 4 | 4.4 | CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/S0960-894X(97)00109-1 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/j.bmcl.2004.05.047 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/j.bmcl.2004.05.047 | ||
| 11968014 | 12649 | 4 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm960374w | ||
| CHEMBL1187846 | 12649 | 4 | None | -3 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm960374w | ||
| 154417 | 92828 | 57 | None | -9 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL2449003 | 92828 | 57 | None | -9 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 44627853 | 196004 | 0 | None | -3 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571121 | 196004 | 0 | None | -3 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(02)00315-3 | ||
| 44378599 | 57830 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 619 | 7 | 0 | 8 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c2c1OCO2 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL167839 | 57830 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 619 | 7 | 0 | 8 | 4.9 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c2c1OCO2 | 10.1016/s0960-894x(02)00024-0 | ||
| 44344075 | 110000 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 0 | 7 | 4.9 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6F)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL324832 | 110000 | 0 | None | - | 1 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 608 | 7 | 0 | 7 | 4.9 | COc1ccc(S(=O)(=O)c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6F)CC5)CC4)OCCO3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 16115950 | 135859 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| CHEMBL373515 | 135859 | 0 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 325 | 3 | 0 | 3 | 4.1 | CN1CCC[C@H]1[C@H]1CSC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm061374r | ||
| 14210083 | 156171 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4070155 | 156171 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 10104167 | 2028 | 1 | None | 13 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 6937 | 2028 | 1 | None | 13 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL3121473 | 2028 | 1 | None | 13 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44400180 | 68666 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 2.7 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192337 | 68666 | 0 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 2.7 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44296022 | 193255 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 6 | 1 | 4 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccnc5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL54155 | 193255 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 498 | 6 | 1 | 4 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccnc5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44267734 | 10430 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 530 | 8 | 0 | 5 | 6.1 | CCOC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11690 | 10430 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 530 | 8 | 0 | 5 | 6.1 | CCOC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44406316 | 72377 | 0 | None | -15 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 6 | 1 | 3 | 3.6 | CCCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL199821 | 72377 | 0 | None | -15 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 341 | 6 | 1 | 3 | 3.6 | CCCCCC(O)(C#CC1(OC)CN2CCC1CC2)c1ccccc1 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406689 | 140754 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 349 | 3 | 1 | 5 | 1.8 | COC1(C#CC(O)(c2ccccc2)c2cccnn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL383248 | 140754 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 349 | 3 | 1 | 5 | 1.8 | COC1(C#CC(O)(c2ccccc2)c2cccnn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44299477 | 100250 | 0 | None | 95 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 191 | 2 | 0 | 4 | 0.6 | c1cnc(O[C@@H]2CN3CCC2C3)cn1 | 10.1016/s0960-894x(99)00313-3 | ||
| CHEMBL292574 | 100250 | 0 | None | 95 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 191 | 2 | 0 | 4 | 0.6 | c1cnc(O[C@@H]2CN3CCC2C3)cn1 | 10.1016/s0960-894x(99)00313-3 | ||
| 18342968 | 167406 | 0 | None | 6 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 7 | 1 | 5 | 3.3 | COc1ccc([S+]([O-])c2ccc(C(C(N)=O)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL431787 | 167406 | 0 | None | 6 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 455 | 7 | 1 | 5 | 3.3 | COc1ccc([S+]([O-])c2ccc(C(C(N)=O)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44437270 | 12222 | 0 | None | 13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185211 | 12222 | 0 | None | 13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL398043 | 12222 | 0 | None | 13 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 222 | 2 | 0 | 3 | 0.6 | O=C1CCON1CC#CCN1CCCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 2230 | 461 | 55 | None | -107 | 10 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 296 | 461 | 55 | None | -107 | 10 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| CHEMBL7303 | 461 | 55 | None | -107 | 10 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| DB04365 | 461 | 55 | None | -107 | 10 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9705115 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 10.1021/jm9904001 | ||
| 118710666 | 120316 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323282 | 120316 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558210 | 120316 | 0 | None | -4 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 164627658 | 188024 | 0 | None | 20 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4875268 | 188024 | 0 | None | 20 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029013 | 188024 | 0 | None | 20 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10242813 | 36247 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 226 | 1 | 0 | 3 | 2.9 | C1=C(c2nc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144751 | 36247 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 226 | 1 | 0 | 3 | 2.9 | C1=C(c2nc3ccccc3o2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 15169865 | 11158 | 0 | None | 5 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL1179079 | 11158 | 0 | None | 5 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL59085 | 11158 | 0 | None | 5 | 3 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 68764898 | 665 | 1 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 665 | 1 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 665 | 1 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 72190450 | 91843 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426679 | 91843 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 469 | 5 | 0 | 6 | 3.7 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H]2CCc4cc(-c5ncccn5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 109032820 | 182293 | 1 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4791819 | 182293 | 1 | None | 1 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCCN(C(=O)CCN2CCCc3ccccc32)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 156015045 | 177690 | 0 | None | 17 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648218 | 177690 | 0 | None | 17 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650765 | 177690 | 0 | None | 17 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11729182 | 5160 | 0 | None | 2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106259 | 5160 | 0 | None | 2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 3 | 1 | 4 | 4.0 | CCN(C)C(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 162353387 | 180649 | 0 | None | 2 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4761549 | 180649 | 0 | None | 2 | 2 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 274 | 2 | 1 | 3 | 2.2 | O=C(CN1CCCc2ccc(O)cc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 162353380 | 181912 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 259 | 2 | 0 | 3 | 1.8 | O=C(CN1CCCc2cnccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4786868 | 181912 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 259 | 2 | 0 | 3 | 1.8 | O=C(CN1CCCc2cnccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 44437303 | 12220 | 1 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc21 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185162 | 12220 | 1 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc21 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL394329 | 12220 | 1 | None | 1 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 271 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc21 | 10.1016/j.bmc.2007.09.003 | ||
| 44308899 | 202308 | 0 | None | -37 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 330 | 5 | 2 | 3 | 2.7 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69648 | 202308 | 0 | None | -37 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 330 | 5 | 2 | 3 | 2.7 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 2683 | 102415 | 24 | None | -5 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL305906 | 102415 | 24 | None | -5 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| CHEMBL334255 | 102415 | 24 | None | -5 | 16 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 304 | 15 | 0 | 0 | 6.5 | CCCCCCCCCCCCCCCC[n+]1ccccc1 | nan | ||
| 44431376 | 86889 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233200 | 86889 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44593623 | 187297 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496503 | 187297 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539373 | 187297 | 0 | None | -3 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10428089 | 102972 | 0 | None | -5 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084899 | 102972 | 0 | None | -5 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 5 | 0 | 4 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2 | 10.1021/jm00020a006 | ||
| 10330893 | 120608 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 215 | 2 | 0 | 2 | 2.8 | COc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL357444 | 120608 | 0 | None | -1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 215 | 2 | 0 | 2 | 2.8 | COc1ccccc1C1=CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL69452 | 202276 | 0 | None | 2 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 16125505 | 84354 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 425 | 6 | 1 | 2 | 4.7 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL223186 | 84354 | 0 | None | -3 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 425 | 6 | 1 | 2 | 4.7 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(CCc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 6726 | 1254 | 46 | None | -9 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 7151 | 1254 | 46 | None | -9 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 749 | 1254 | 46 | None | -9 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| CHEMBL648 | 1254 | 46 | None | -9 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| DB01176 | 1254 | 46 | None | -9 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | nan | ||
| 9998508 | 79700 | 0 | None | 2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21321 | 79700 | 0 | None | 2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 358 | 3 | 0 | 4 | 3.7 | O=C(OC1CN2CCC1CC2)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 54816802 | 180690 | 2 | None | 2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762056 | 180690 | 2 | None | 2 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 258 | 2 | 0 | 2 | 2.5 | O=C(CN1CCCc2ccccc21)N1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 118719929 | 115283 | 0 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354076 | 115283 | 0 | None | -3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 442 | 15 | 1 | 3 | 6.0 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 156015051 | 177753 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4643329 | 177753 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651139 | 177753 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156009660 | 177754 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4634475 | 177754 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651150 | 177754 | 0 | None | 3 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 3.0 | C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccc([S+]([O-])c3ccccc3)cc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10982070 | 5096 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105945 | 5096 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 2 | 0 | 6 | 3.7 | COC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 137636308 | 155661 | 0 | None | -13 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4064222 | 155661 | 0 | None | -13 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 329 | 7 | 0 | 3 | 2.8 | CCCCN1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44274317 | 82959 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL21937 | 82959 | 0 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 319 | 5 | 1 | 3 | 2.7 | CN(C)CCNC(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 24894631 | 176190 | 3 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL460470 | 176190 | 3 | None | -1 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCCC1c1ccco1 | 10.1021/jm800145d | ||
| 10404406 | 99738 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 3 | 1 | 4 | 2.2 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 | 10.1021/jm970333f | ||
| CHEMBL288285 | 99738 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 330 | 3 | 1 | 4 | 2.2 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCOCC1 | 10.1021/jm970333f | ||
| 10381417 | 68326 | 0 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 4.6 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2C)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192061 | 68326 | 0 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 321 | 5 | 1 | 2 | 4.6 | Cc1ccc(O)c(C(CCN2C[C@H]3C[C@H]3C2C)c2ccccc2)c1 | 10.1016/j.bmcl.2005.02.036 | ||
| 14537189 | 162093 | 0 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 412 | 9 | 0 | 5 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL416974 | 162093 | 0 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 412 | 9 | 0 | 5 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(OC(=O)N(C)C)cc1 | 10.1021/jm00127a020 | ||
| 10066369 | 119752 | 0 | None | 8 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 119752 | 0 | None | 8 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 44309135 | 96120 | 0 | None | -54 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 7 | 2 | 3 | 3.7 | NCCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL263040 | 96120 | 0 | None | -54 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 7 | 2 | 3 | 3.7 | NCCCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10467755 | 120587 | 2 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2cc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL357200 | 120587 | 2 | None | -3 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 259 | 1 | 1 | 3 | 2.8 | OC1(c2cc3ccccc3s2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 137628855 | 160423 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 1 | 1 | 1 | 2.0 | C[N+](C)(C)C1CCc2cccc(O)c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4103087 | 160423 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 1 | 1 | 1 | 2.0 | C[N+](C)(C)C1CCc2cccc(O)c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115966 | 160423 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 1 | 1 | 1 | 2.0 | C[N+](C)(C)C1CCc2cccc(O)c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 9998202 | 68824 | 0 | None | -2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192485 | 68824 | 0 | None | -2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| 145961981 | 160984 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4128497 | 160984 | 0 | None | -2 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 407 | 4 | 0 | 5 | 3.4 | C[C@]1(C(=O)O[C@@H]2CN3CCC2CC3)COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 4715419 | 188155 | 30 | None | 4 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| CHEMBL505086 | 188155 | 30 | None | 4 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 151 | 1 | 1 | 2 | 2.0 | Cc1ccc(C2CCCN2)o1 | 10.1021/jm800145d | ||
| 44392960 | 65969 | 0 | None | 9 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL184843 | 65969 | 0 | None | 9 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.6 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 15050959 | 202383 | 0 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.2 | CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70154 | 202383 | 0 | None | 1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 534 | 13 | 2 | 6 | 4.2 | CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 164627253 | 188018 | 0 | None | 28 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4876651 | 188018 | 0 | None | 28 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028989 | 188018 | 0 | None | 28 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 156015390 | 177667 | 0 | None | -4 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648229 | 177667 | 0 | None | -4 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650585 | 177667 | 0 | None | -4 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 14964494 | 11852 | 1 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118292 | 11852 | 1 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 14964494 | 11852 | 1 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118292 | 11852 | 1 | None | 2 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 14956867 | 203120 | 0 | None | -4 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 0.6 | CCN1C(=O)C2(CCN(C)CC2)OC1=S | 10.1021/jm00068a005 | ||
| CHEMBL75380 | 203120 | 0 | None | -4 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 228 | 1 | 0 | 4 | 0.6 | CCN1C(=O)C2(CCN(C)CC2)OC1=S | 10.1021/jm00068a005 | ||
| 12739458 | 66218 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1824784 | 66218 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| CHEMBL1852447 | 66218 | 0 | None | -2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 227 | 2 | 0 | 1 | 3.5 | c1ccc(CN2C3CC4CC(C3)CC2C4)cc1 | 10.1016/j.bmcl.2011.07.028 | ||
| 15086396 | 13181 | 0 | None | -29 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 8 | 0 | 7 | 2.4 | CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1191773 | 13181 | 0 | None | -29 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 8 | 0 | 7 | 2.4 | CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL542915 | 13181 | 0 | None | -29 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 357 | 8 | 0 | 7 | 2.4 | CCN(CC)CCOC(=O)C1(c2ccc(-n3cnnn3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 49783209 | 17427 | 0 | None | -758 | 27 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| CHEMBL1258223 | 17427 | 0 | None | -758 | 27 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 396 | 7 | 1 | 6 | 3.8 | CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3c2OCCO3)CC1 | 10.1021/jm100668r | ||
| 164614364 | 187911 | 0 | None | 2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4847458 | 187911 | 0 | None | 2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028248 | 187911 | 0 | None | 2 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 733 | 15 | 9 | 10 | -1.0 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44448380 | 11810 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182644 | 11810 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257804 | 11810 | 0 | None | -1 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 436 | 7 | 1 | 1 | 5.0 | C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2008.03.061 | ||
| 156011518 | 177763 | 0 | None | -6 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4637731 | 177763 | 0 | None | -6 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651208 | 177763 | 0 | None | -6 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 388 | 5 | 0 | 2 | 4.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 162353394 | 180188 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 1.5 | O=C(CN1CCCc2cnccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756237 | 180188 | 0 | None | 1 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 245 | 2 | 0 | 3 | 1.5 | O=C(CN1CCCc2cnccc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 11828362 | 78510 | 0 | None | -57 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112959 | 78510 | 0 | None | -57 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 636 | 15 | 3 | 4 | 5.8 | O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 44431372 | 86887 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233198 | 86887 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| 21855 | 83830 | 35 | None | -7 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL22108 | 83830 | 35 | None | -7 | 6 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1016/s0960-894x(01)00186-x | ||
| 11834199 | 58463 | 0 | None | 10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168704 | 58463 | 0 | None | 10 | 5 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 10651844 | 114990 | 0 | None | -4 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL335115 | 114990 | 0 | None | -4 | 5 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 649 | 22 | 3 | 7 | 5.2 | CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 11695960 | 72050 | 0 | None | -52 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL198669 | 72050 | 0 | None | -52 | 3 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 348 | 2 | 0 | 3 | 3.8 | O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 10024068 | 130828 | 0 | None | 1 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 402 | 6 | 0 | 3 | 3.9 | CC(C)N(CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)C(C)C | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL368792 | 130828 | 0 | None | 1 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 402 | 6 | 0 | 3 | 3.9 | CC(C)N(CC#CCN1C(=O)CC(c2ccccc2)(c2ccccc2)C1=O)C(C)C | 10.1016/S0960-894X(97)00143-1 | ||
| 137630891 | 160582 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CCC([N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4085451 | 160582 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CCC([N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117201 | 160582 | 0 | None | -1 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CCC([N+](C)(C)C)C2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10035281 | 100513 | 0 | None | -1 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| CHEMBL294273 | 100513 | 0 | None | -1 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 183 | 1 | 0 | 3 | 1.2 | CC(=O)OC1CC2CCCC1N2C | 10.1021/jm9904001 | ||
| 574989 | 202372 | 2 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 4.1 | CN1CCN(CC(=O)N2c3cc(CO[Si](C)(C)C(C)(C)C)ccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70082 | 202372 | 2 | None | - | 1 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 4.1 | CN1CCN(CC(=O)N2c3cc(CO[Si](C)(C)C(C)(C)C)ccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 73353884 | 91890 | 0 | None | -3 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2429890 | 91890 | 0 | None | -3 | 8 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.7 | c1cc2c(cc1CN[C@H]1C3C4CC5C6C4CC3C6C51)OCO2 | 10.1016/j.bmc.2013.07.045 | ||
| 44378600 | 56233 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 635 | 9 | 0 | 8 | 5.2 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1OC | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL163686 | 56233 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 635 | 9 | 0 | 8 | 5.2 | COc1ccc(S(=O)(=O)c2ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc2)c(OC)c1OC | 10.1016/s0960-894x(02)00024-0 | ||
| 15730 | 70774 | 73 | None | -2 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| CHEMBL195437 | 70774 | 73 | None | -2 | 10 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 206 | 7 | 1 | 1 | 4.3 | CCCCCCCCc1ccc(O)cc1 | nan | ||
| 164616776 | 187931 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 13 | 7 | 6 | -1.5 | CCCN[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852133 | 187931 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 13 | 7 | 6 | -1.5 | CCCN[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028394 | 187931 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 371 | 13 | 7 | 6 | -1.5 | CCCN[C@@H](CCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.6b01892 | ||
| 44392967 | 65276 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 5.0 | CCN1C(CCC2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL183331 | 65276 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 361 | 4 | 0 | 3 | 5.0 | CCN1C(CCC2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C | 10.1016/j.bmcl.2004.05.047 | ||
| 164620290 | 187958 | 0 | None | 5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4870729 | 187958 | 0 | None | 5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028589 | 187958 | 0 | None | 5 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 916 | 22 | 9 | 12 | 0.6 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 164621861 | 187972 | 0 | None | 16 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4868124 | 187972 | 0 | None | 16 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028673 | 187972 | 0 | None | 16 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 704 | 17 | 8 | 9 | 1.5 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 14964511 | 11995 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL1183954 | 11995 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL325473 | 11995 | 0 | None | - | 1 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| 16086060 | 168377 | 0 | None | -1148 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL438822 | 168377 | 0 | None | -1148 | 5 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NC[C@@H]1CCCNC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 70693619 | 72796 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 388 | 10 | 2 | 3 | 4.7 | CC[C@@H](NCc1cccc(C(=O)NCCOc2ccccc2)c1)c1ccccc1 | 10.1016/j.bmc.2011.11.071 | ||
| CHEMBL2011502 | 72796 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 388 | 10 | 2 | 3 | 4.7 | CC[C@@H](NCc1cccc(C(=O)NCCOc2ccccc2)c1)c1ccccc1 | 10.1016/j.bmc.2011.11.071 | ||
| 483747 | 104930 | 2 | None | -177 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL311795 | 104930 | 2 | None | -177 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10139614 | 4962 | 0 | None | -323 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.9 | CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL105160 | 4962 | 0 | None | -323 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 462 | 8 | 1 | 5 | 5.9 | CCCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 441383 | 20133 | 54 | None | -7 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL1306 | 20133 | 54 | None | -7 | 17 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 135398737 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 38 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 722 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| CHEMBL42 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| DB00363 | 944 | 89 | None | -6 | 91 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | 10.1021/jm9601720 | ||
| 155552923 | 175733 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4544820 | 175733 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4595245 | 175733 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 739 | 17 | 6 | 8 | 4.0 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 44379080 | 57857 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 678 | 10 | 0 | 5 | 7.5 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| CHEMBL168149 | 57857 | 0 | None | 1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 678 | 10 | 0 | 5 | 7.5 | CCN(CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)N(C(=O)c3ccc(F)cc3)c3ccccc32)CC1)C(=O)c1ccc(F)cc1 | 10.1016/S0960-894X(97)00109-1 | ||
| 3072504 | 5735 | 7 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107892 | 5735 | 7 | None | - | 1 | Mouse | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 10429011 | 35899 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 240 | 1 | 0 | 1 | 3.6 | C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144435 | 35899 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 240 | 1 | 0 | 1 | 3.6 | C[N+]12C=C(c3cc4ccccc4o3)C(CC1)CC2 | 10.1021/jm00003a011 | ||
| 9910802 | 120497 | 0 | None | -141 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 4.2 | O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL356505 | 120497 | 0 | None | -141 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 434 | 6 | 2 | 4 | 4.2 | O=C(NC1CCN(Cc2ccsc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 44312132 | 101832 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 5 | 0 | 4 | 4.4 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL303443 | 101832 | 0 | None | 1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 406 | 5 | 0 | 4 | 4.4 | CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccc2)CC1 | 10.1016/s0960-894x(00)00438-8 | ||
| 10572657 | 40298 | 0 | None | -45 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL148328 | 40298 | 0 | None | -45 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2cccnc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 137639541 | 156162 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4070061 | 156162 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 206 | 3 | 0 | 3 | 1.7 | CN1CCCC(OCc2cccnc2)C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 9906447 | 193904 | 1 | None | -645 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031738 | 193904 | 1 | None | -645 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL555146 | 193904 | 1 | None | -645 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 5 | 0 | 3 | 4.8 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 | 10.1021/jm201690h | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 10.1021/acs.jmedchem.6b01892 | ||
| 2719 | 904 | 66 | None | -4 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 5535 | 904 | 66 | None | -4 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 607 | 904 | 66 | None | -4 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| CHEMBL76 | 904 | 66 | None | -4 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| DB00608 | 904 | 66 | None | -4 | 11 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | 10.1038/s41586-020-2286-9 | ||
| 46227487 | 14012 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198047 | 14012 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593861 | 14012 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 216 | 2 | 0 | 2 | 1.7 | CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 319 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 321 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 444031 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 784 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| CHEMBL1346 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| DB00496 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1021/jm010480k | ||
| 3042 | 1386 | 31 | None | -12 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| 355 | 1386 | 31 | None | -12 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| 868 | 1386 | 31 | None | -12 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| CHEMBL1123 | 1386 | 31 | None | -12 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| DB00804 | 1386 | 31 | None | -12 | 15 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 10.1021/jm00114a005 | ||
| 16125585 | 84328 | 0 | None | -7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 456 | 8 | 1 | 2 | 4.4 | C[N+]1(CCOCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222976 | 84328 | 0 | None | -7 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 456 | 8 | 1 | 2 | 4.4 | C[N+]1(CCOCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 73352330 | 91753 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2424680 | 91753 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@@H](c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 118710666 | 120316 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323282 | 120316 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558210 | 120316 | 0 | None | -4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 446 | 11 | 1 | 4 | 2.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 16125619 | 84299 | 0 | None | -6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 4.3 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(O)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL222804 | 84299 | 0 | None | -6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 4.3 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccc(O)c2)CC1 | 10.1021/jm061159a | ||
| 14964506 | 112817 | 1 | None | -6 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL331556 | 112817 | 1 | None | -6 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 66561966 | 74354 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030625 | 74354 | 0 | None | -1 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 193 | 2 | 0 | 1 | 3.2 | C1CCC(CN2C3CCC2CC3)CC1 | 10.1016/j.bmcl.2012.04.077 | ||
| 44437308 | 12221 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1185188 | 12221 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL396845 | 12221 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 2 | 0 | 3 | 1.9 | C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 | 10.1016/j.bmc.2007.09.003 | ||
| 73350931 | 92102 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432040 | 92102 | 0 | None | 2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 2.4 | CN(Cc1ccccc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 118719930 | 115284 | 0 | None | -5 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354077 | 115284 | 0 | None | -5 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 470 | 17 | 1 | 3 | 6.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCCCO)CC1 | 10.1021/jm501173q | ||
| 10474335 | 193025 | 16 | None | -165 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL53325 | 193025 | 16 | None | -165 | 10 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 370 | 6 | 0 | 3 | 4.8 | COc1cccc2c1CCCC2CCCN1CCN(C2CCCCC2)CC1 | 10.1038/s41586-020-2286-9 | ||
| 162658421 | 180519 | 0 | None | 3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760150 | 180519 | 0 | None | 3 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 300 | 3 | 0 | 2 | 3.6 | CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 137644962 | 157947 | 0 | None | -239 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4091058 | 157947 | 0 | None | -239 | 8 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 363 | 6 | 0 | 3 | 3.2 | O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44448457 | 11808 | 0 | None | -4 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182638 | 11808 | 0 | None | -4 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL257586 | 11808 | 0 | None | -4 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 566 | 15 | 2 | 2 | 6.6 | C[N+](C)(CCCC(O)(c1ccccc1)c1ccccc1)CC[N+](C)(C)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 24894515 | 176296 | 4 | None | 1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL461502 | 176296 | 4 | None | 1 | 5 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 151 | 1 | 0 | 2 | 2.0 | CN1CCC[C@@H]1c1ccco1 | 10.1021/jm800145d | ||
| 44267709 | 16464 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 544 | 8 | 0 | 5 | 6.4 | CC(C)OC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12419 | 16464 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 544 | 8 | 0 | 5 | 6.4 | CC(C)OC(=O)CSc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccccc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 44431369 | 87555 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234253 | 87555 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | 10.1016/j.bmcl.2006.11.058 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(99)00101-8 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 10.1016/s0960-894x(99)00101-8 | ||
| 3929516 | 106886 | 2 | None | -5 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL317757 | 106886 | 2 | None | -5 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 343 | 4 | 0 | 2 | 4.7 | CN1C2CCC1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 | 10.1021/jm00020a006 | ||
| 11610557 | 71687 | 0 | None | -85 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL197588 | 71687 | 0 | None | -85 | 3 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1CC(O)c2ccccc2C1c1ccccc1 | 10.1021/jm050099q | ||
| 10551354 | 39519 | 0 | None | -190 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147611 | 39519 | 0 | None | -190 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 446 | 6 | 2 | 3 | 4.2 | O=C(NC1CCN(Cc2cccc(F)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 44304818 | 201615 | 0 | None | -1 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64788 | 201615 | 0 | None | -1 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 44304818 | 201615 | 0 | None | -1 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| CHEMBL64788 | 201615 | 0 | None | -1 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.7 | COC(=O)C1CC2CCCC1N2 | 10.1021/jm9705115 | ||
| 137629673 | 160612 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 198 | 3 | 0 | 0 | 2.6 | C[N+](C)(C)CCc1cccc(Cl)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4094819 | 160612 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 198 | 3 | 0 | 0 | 2.6 | C[N+](C)(C)CCc1cccc(Cl)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117396 | 160612 | 0 | None | -1 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 198 | 3 | 0 | 0 | 2.6 | C[N+](C)(C)CCc1cccc(Cl)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 456293 | 202360 | 1 | None | -17 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL70010 | 202360 | 1 | None | -17 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 603 | 6 | 0 | 7 | 5.2 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 44383489 | 127951 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL366640 | 127951 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 434 | 4 | 0 | 5 | 4.3 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C(=O)OC(C)(C)C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 73346336 | 92113 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432054 | 92113 | 0 | None | 1 | 6 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 325 | 5 | 0 | 2 | 3.0 | CN(CCCc1cccc(F)c1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 9308 | 17572 | 16 | None | 2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL1255785 | 17572 | 16 | None | 2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL12587 | 17572 | 16 | None | 2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL292911 | 17572 | 16 | None | 2 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1016/j.bmc.2007.12.036 | ||
| 11809446 | 59367 | 0 | None | 1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL172234 | 59367 | 0 | None | 1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 44422692 | 11748 | 0 | None | 5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182296 | 11748 | 0 | None | 5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL228144 | 11748 | 0 | None | 5 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | CC1COCC(C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 44446841 | 12232 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1185281 | 12232 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL404557 | 12232 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmc.2009.10.027 | ||
| 162657652 | 180403 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758742 | 180403 | 0 | None | -1 | 4 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 335 | 4 | 1 | 3 | 4.2 | CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc21 | 10.1016/j.bmcl.2020.127632 | ||
| 44431375 | 86888 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233199 | 86888 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44431370 | 87556 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234254 | 87556 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 9308 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| CHEMBL1255785 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| CHEMBL12587 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| CHEMBL292911 | 17572 | 16 | None | -2 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm00088a029 | ||
| 16086059 | 80363 | 0 | None | -2187 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | ||
| CHEMBL215180 | 80363 | 0 | None | -2187 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm301774u | ||
| 16125618 | 168112 | 0 | None | -19 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 441 | 6 | 1 | 3 | 4.6 | COc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)cc1 | 10.1021/jm061159a | ||
| CHEMBL436492 | 168112 | 0 | None | -19 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 441 | 6 | 1 | 3 | 4.6 | COc1ccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)cc1 | 10.1021/jm061159a | ||
| 16086059 | 80363 | 0 | None | -2187 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215180 | 80363 | 0 | None | -2187 | 7 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 662 | 9 | 3 | 5 | 3.9 | O=C(NCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 9821459 | 198759 | 7 | None | -117 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 384 | 7 | 2 | 3 | 4.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| CHEMBL59836 | 198759 | 7 | None | -117 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 384 | 7 | 2 | 3 | 4.0 | CC(C)=CCCN1CCC(NC(=O)[C@](O)(c2ccccc2)C2CCCC2)CC1 | 10.1021/jm0003135 | ||
| 15105207 | 168629 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 10 | 1 | 3 | 3.0 | CCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL440686 | 168629 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 332 | 10 | 1 | 3 | 3.0 | CCN(CC)CCOCCNC(=O)C1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 14537191 | 147456 | 0 | None | -2 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 357 | 8 | 2 | 5 | 3.3 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL39342 | 147456 | 0 | None | -2 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 357 | 8 | 2 | 5 | 3.3 | CCN(CC)CCOC(=O)C(C)(c1ccc(O)cc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| 474465 | 201382 | 2 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 525 | 6 | 0 | 5 | 5.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL63757 | 201382 | 2 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 525 | 6 | 0 | 5 | 5.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN(Cc3ccc(Cc4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 44420791 | 84280 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 3 | 1 | 1 | 3.7 | C[N+]1(C)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 | 10.1021/jm061160+ | ||
| CHEMBL222689 | 84280 | 0 | None | -3 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 3 | 1 | 1 | 3.7 | C[N+]1(C)C2CCC1CC(N1CC(c3ccccc3)(c3ccccc3)NC1=O)C2 | 10.1021/jm061160+ | ||
| 44295954 | 162345 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL417369 | 162345 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44295712 | 188918 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 533 | 6 | 1 | 3 | 5.8 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5c(F)cc(F)cc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51400 | 188918 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 533 | 6 | 1 | 3 | 5.8 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4cccc5c(F)cc(F)cc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44406521 | 73558 | 0 | None | -4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL201933 | 73558 | 0 | None | -4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccncc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 10199963 | 140784 | 0 | None | -6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 3.3 | CO[C@]1(C#CC(O)(c2cccc(F)c2)c2cccc(F)c2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL383389 | 140784 | 0 | None | -6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 3.3 | CO[C@]1(C#CC(O)(c2cccc(F)c2)c2cccc(F)c2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 10299489 | 202440 | 0 | None | 4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 5.4 | COc1ccc([S+]([O-])c2ccc(C(N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL70464 | 202440 | 0 | None | 4 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 480 | 6 | 0 | 4 | 5.4 | COc1ccc([S+]([O-])c2ccc(C(N3CCN(C4CCCCC4)CC3)C(F)(F)F)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 129989 | 447 | 41 | None | 1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 8584 | 447 | 41 | None | 1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| CHEMBL43383 | 447 | 41 | None | 1 | 9 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm00075a032 | ||
| 129989 | 447 | 41 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 8584 | 447 | 41 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL43383 | 447 | 41 | None | -1 | 9 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/acs.jmedchem.8b01967 | ||
| 154417 | 92828 | 57 | None | -9 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL2449003 | 92828 | 57 | None | -9 | 10 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 10049361 | 204401 | 0 | None | -10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85892 | 204401 | 0 | None | -10 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccccc1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44325013 | 205465 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 604 | 8 | 0 | 8 | 4.2 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL92569 | 205465 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 604 | 8 | 0 | 8 | 4.2 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 44431391 | 145888 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL392186 | 145888 | 0 | None | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 118710662 | 120317 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323280 | 120317 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558229 | 120317 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/0960-894X(96)00107-2 | ||
| 118710662 | 120317 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323280 | 120317 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558229 | 120317 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 155548586 | 176023 | 0 | None | 10 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4537517 | 176023 | 0 | None | 10 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597611 | 176023 | 0 | None | 10 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 12 | 6 | 6 | 2.5 | N=C(N)NCCC[C@H](N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 70683405 | 74126 | 0 | None | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2021477 | 74126 | 0 | None | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL2027984 | 74126 | 0 | None | 3 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 406 | 4 | 1 | 4 | 3.7 | CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc21 | 10.1016/j.bmc.2008.06.025 | ||
| 315401 | 89382 | 3 | None | -4 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 8 | 1 | 4 | 3.5 | CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377387 | 89382 | 3 | None | -4 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 8 | 1 | 4 | 3.5 | CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 44420795 | 11745 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 6 | 1 | 1 | 4.4 | C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL1182222 | 11745 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 6 | 1 | 1 | 4.4 | C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL223055 | 11745 | 0 | None | -7 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 426 | 6 | 1 | 1 | 4.4 | C[N+]1(CCc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 14537188 | 136023 | 0 | None | -1 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| CHEMBL37372 | 136023 | 0 | None | -1 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 341 | 8 | 1 | 4 | 3.6 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1 | 10.1021/jm00127a020 | ||
| 10770914 | 24857 | 0 | None | -19 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| CHEMBL134692 | 24857 | 0 | None | -19 | 5 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 691 | 25 | 3 | 7 | 6.4 | CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)C(=O)CCCCCN | 10.1021/jm981038d | ||
| 42596929 | 76835 | 0 | None | -7 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042404 | 76835 | 0 | None | -7 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079021 | 76835 | 0 | None | -7 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.1 | C[N+](C)(C)CC1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 688567 | 62705 | 3 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL1788199 | 62705 | 3 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 2.6 | O=C(O[C@@H]1CN2CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1021/jm00402a035 | ||
| 425249 | 89367 | 8 | None | 10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.6 | CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377261 | 89367 | 8 | None | 10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 355 | 8 | 1 | 4 | 3.6 | CC(C)N(CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)C | 10.1016/j.bmc.2013.01.072 | ||
| 319 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 321 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 444031 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 784 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL1346 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| DB00496 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406406 | 133014 | 0 | None | -12 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccn2)C2CCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL370862 | 133014 | 0 | None | -12 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 4 | 2.6 | COC1(C#CC(O)(c2ccccn2)C2CCCC2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406520 | 134735 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL372566 | 134735 | 0 | None | -3 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | CO[C@]1(C#C[C@](O)(c2ccccc2)c2cccnc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 44406395 | 139750 | 0 | None | -6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | CO[C@]1(C#CC(O)(c2cccc(C)c2)c2cccc(C)c2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL380583 | 139750 | 0 | None | -6 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | CO[C@]1(C#CC(O)(c2cccc(C)c2)c2cccc(C)c2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 24809738 | 11784 | 0 | None | 13 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182466 | 11784 | 0 | None | 13 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239655 | 11784 | 0 | None | 13 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 209 | 3 | 0 | 3 | 1.1 | Cc1cc(OCC#CC[N+](C)(C)C)no1 | 10.1016/j.bmc.2007.09.003 | ||
| 15050958 | 202099 | 0 | None | 1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 12 | 2 | 6 | 3.8 | CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL68292 | 202099 | 0 | None | 1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 520 | 12 | 2 | 6 | 3.8 | CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0301235 | ||
| 118710668 | 120321 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3323283 | 120321 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3558234 | 120321 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 44319043 | 204339 | 0 | None | -17 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 5 | 0 | 3 | 5.7 | O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85391 | 204339 | 0 | None | -17 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 410 | 5 | 0 | 3 | 5.7 | O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm0606995 | ||
| 5387 | 94438 | 24 | None | -19 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | 10.1021/jm00111a032 | ||
| CHEMBL253978 | 94438 | 24 | None | -19 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | 10.1021/jm00111a032 | ||
| 44313489 | 202924 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 4.6 | CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL73501 | 202924 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 400 | 9 | 1 | 3 | 4.6 | CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 15196235 | 118688 | 2 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 181 | 1 | 0 | 2 | 1.5 | C1COC(C2CN3CCC2CC3)C1 | 10.1021/jm00003a011 | ||
| CHEMBL343182 | 118688 | 2 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 181 | 1 | 0 | 2 | 1.5 | C1COC(C2CN3CCC2CC3)C1 | 10.1021/jm00003a011 | ||
| 15749864 | 99997 | 3 | None | -2 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL290715 | 99997 | 3 | None | -2 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 169 | 0 | 0 | 3 | 0.5 | C1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 137629259 | 160457 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 204 | 2 | 0 | 1 | 1.8 | COc1cccc(C#CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4092769 | 160457 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 204 | 2 | 0 | 1 | 1.8 | COc1cccc(C#CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116203 | 160457 | 0 | None | -2 | 3 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 204 | 2 | 0 | 1 | 1.8 | COc1cccc(C#CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44406387 | 72498 | 0 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | CO[C@]1(C#CC(O)(c2ccc(C)cc2)c2ccc(C)cc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200209 | 72498 | 0 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | CO[C@]1(C#CC(O)(c2ccc(C)cc2)c2ccc(C)cc2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 2247 | 502 | 77 | None | -32 | 41 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 249 | 502 | 77 | None | -32 | 41 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 2603 | 502 | 77 | None | -32 | 41 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| CHEMBL296419 | 502 | 77 | None | -32 | 41 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| DB00637 | 502 | 77 | None | -32 | 41 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | ||
| 71455896 | 83391 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205832 | 83391 | 0 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 266 | 2 | 1 | 3 | 1.3 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| 11819782 | 95442 | 0 | None | 10 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259131 | 95442 | 0 | None | 10 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 186 | 1 | 0 | 2 | 1.0 | C[C@H]1OC[C@@H]([C@H]2CCC[N+]2(C)C)O1 | 10.1016/j.bmc.2007.12.036 | ||
| 6604789 | 100578 | 3 | None | -199 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| CHEMBL294649 | 100578 | 3 | None | -199 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| 10337773 | 101114 | 0 | None | -125 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| CHEMBL298612 | 101114 | 0 | None | -125 | 10 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 311 | 3 | 1 | 4 | 1.6 | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 | 10.1016/0960-894X(95)00308-G | ||
| 162670602 | 182355 | 0 | None | 1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 248 | 2 | 0 | 2 | 1.8 | O=C(CN1CCc2ccc(F)cc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4792675 | 182355 | 0 | None | 1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 248 | 2 | 0 | 2 | 1.8 | O=C(CN1CCc2ccc(F)cc21)N1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 4735 | 193445 | 92 | None | -9 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL361506 | 193445 | 92 | None | -9 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| CHEMBL55 | 193445 | 92 | None | -9 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | nan | ||
| 11057 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 3468 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL459265 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| CHEMBL64894 | 175575 | 19 | None | -1 | 20 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | nan | ||
| 44344077 | 10351 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 616 | 7 | 0 | 6 | 6.2 | COc1ccc([S+]([O-])c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| CHEMBL116404 | 10351 | 0 | None | - | 1 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 616 | 7 | 0 | 6 | 6.2 | COc1ccc([S+]([O-])c2ccc(C3(C4CCN(C5CCN(C(=O)c6ccccc6C)CC5)CC4)O[C@H](C)[C@@H](C)O3)cc2)cc1 | 10.1016/s0960-894x(02)00742-4 | ||
| 9974229 | 119780 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 335 | 4 | 0 | 4 | 3.1 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL352618 | 119780 | 0 | None | 4 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 335 | 4 | 0 | 4 | 3.1 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 11808947 | 59141 | 0 | None | 4 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL171216 | 59141 | 0 | None | 4 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | CC(C1=C(CN(C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 10203251 | 5153 | 0 | None | -257 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| CHEMBL106224 | 5153 | 0 | None | -257 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 434 | 5 | 0 | 6 | 4.8 | CCCc1c(C(=O)OCC)c2c3c(ccc2n1C)OC1c2ccc(OC)cc2CCN1C3 | 10.1021/jm011116o | ||
| 11004046 | 5381 | 0 | None | -33 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL107444 | 5381 | 0 | None | -33 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 406 | 3 | 0 | 6 | 4.1 | CCOC(=O)c1c(C)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 15678856 | 103305 | 0 | None | -1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 1.3 | NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL308893 | 103305 | 0 | None | -1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 394 | 5 | 2 | 6 | 1.3 | NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 3652 | 45983 | 62 | None | -2 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| CHEMBL1535 | 45983 | 62 | None | -2 | 9 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | 10.1038/s41586-020-2286-9 | ||
| 162353388 | 180397 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758633 | 180397 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCC[C@H]1CO | 10.1016/j.bmcl.2020.127632 | ||
| 162353384 | 180508 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760037 | 180508 | 0 | None | 2 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 288 | 4 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC1CO | 10.1016/j.bmcl.2020.127632 | ||
| 11515739 | 77929 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2092736 | 77929 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2109804 | 77929 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| 16124705 | 84206 | 0 | None | -77 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 5 | 1 | 2 | 5.8 | O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2cccc(Cl)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL222207 | 84206 | 0 | None | -77 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 451 | 5 | 1 | 2 | 5.8 | O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2cccc(Cl)c2)CC1 | 10.1021/jm061159a | ||
| 2812 | 4711 | 96 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| CHEMBL104 | 4711 | 96 | None | -33 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | ||
| 107867 | 2927 | 48 | None | 2 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1016/0960-894X(96)00107-2 | ||
| 309 | 2927 | 48 | None | 2 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL17045 | 2927 | 48 | None | 2 | 10 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1016/0960-894X(96)00107-2 | ||
| 137645406 | 157360 | 0 | None | -6 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| CHEMBL4084262 | 157360 | 0 | None | -6 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 491 | 8 | 0 | 7 | 5.4 | COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1 | 10.1021/acs.jmedchem.9b00412 | ||
| 164628906 | 188031 | 0 | None | 10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4877107 | 188031 | 0 | None | 10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5029079 | 188031 | 0 | None | 10 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 888 | 20 | 9 | 12 | -0.2 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44382974 | 59201 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL171520 | 59201 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 16124708 | 136812 | 0 | None | -28 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 0 | 2 | 5.0 | CN1C(=O)N(C2CCN(Cc3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1 | 10.1021/jm061159a | ||
| CHEMBL375277 | 136812 | 0 | None | -28 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 425 | 5 | 0 | 2 | 5.0 | CN1C(=O)N(C2CCN(Cc3ccccc3)CC2)CC1(c1ccccc1)c1ccccc1 | 10.1021/jm061159a | ||
| 14964513 | 11314 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL1180268 | 11314 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL119508 | 11314 | 0 | None | - | 1 | Rat | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm301774u | ||
| 44450620 | 95387 | 0 | None | 3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL258905 | 95387 | 0 | None | 3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 44422697 | 11747 | 0 | None | 4 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182277 | 11747 | 0 | None | 4 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL227429 | 11747 | 0 | None | 4 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 12259685 | 199863 | 10 | None | -6 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 2 | 1 | 2 | 3.9 | CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | 10.1021/jm00039a008 | ||
| CHEMBL60542 | 199863 | 10 | None | -6 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 2 | 1 | 2 | 3.9 | CC(C)=CCN1CC[C@]2(C)c3cc(O)ccc3C[C@H]1[C@H]2C | 10.1021/jm00039a008 | ||
| 44378769 | 119537 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 7 | 0 | 8 | 4.9 | COc1cc2c(cc1S(=O)(=O)c1ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL350404 | 119537 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 619 | 7 | 0 | 8 | 4.9 | COc1cc2c(cc1S(=O)(=O)c1ccc([C@H](C)N3CCN(C4CCN(C(=O)c5ccccc5C)CC4)C[C@H]3C)cc1)OCO2 | 10.1016/s0960-894x(02)00024-0 | ||
| 156009698 | 177761 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4634575 | 177761 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4651200 | 177761 | 0 | None | 1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 872 | 16 | 2 | 5 | 11.0 | C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc54)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 | 10.1021/acs.jmedchem.9b02172 | ||
| 9846311 | 202313 | 8 | None | -346 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69678 | 202313 | 8 | None | -346 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1016/s0960-894x(03)00350-0 | ||
| 9846311 | 202313 | 8 | None | -346 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| CHEMBL69678 | 202313 | 8 | None | -346 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)n1 | 10.1021/jm0003135 | ||
| 44309107 | 101705 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL302720 | 101705 | 0 | None | -8 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 360 | 5 | 3 | 3 | 3.4 | NCc1ccc(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)cc1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10176401 | 154429 | 15 | None | -1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | CC1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL40121 | 154429 | 15 | None | -1 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | CC1OC2(CCN(C)CC2)CC1=O | 10.1016/0960-894X(95)00301-9 | ||
| 10344314 | 93679 | 0 | None | -12 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 8 | 2 | 5 | 3.1 | COC(=O)c1ccc(CCN2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249204 | 93679 | 0 | None | -12 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 8 | 2 | 5 | 3.1 | COC(=O)c1ccc(CCN2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2007.06.081 | ||
| 11498 | 2970 | 33 | None | -67 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 4995951 | 2970 | 33 | None | -67 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| CHEMBL59898 | 2970 | 33 | None | -67 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 392 | 3 | 1 | 5 | 4.1 | CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC | 10.1021/jm011116o | ||
| 11011332 | 120289 | 1 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL355560 | 120289 | 1 | None | -1 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 156010362 | 177757 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(-c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4633296 | 177757 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(-c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651171 | 177757 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccc(-c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11112362 | 4890 | 0 | None | -4 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| CHEMBL104804 | 4890 | 0 | None | -4 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.5 | COc1ccc2c(c1)CCN1Cc3c(ccc4[nH]c(C)c(Cc5ccccc5)c34)OC21 | 10.1021/jm011116o | ||
| 9998829 | 102944 | 0 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 363 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084866 | 102944 | 0 | None | 2 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 363 | 4 | 0 | 2 | 5.7 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C(C)(C)C)cc1)C2 | 10.1021/jm00020a006 | ||
| 118710660 | 120318 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323279 | 120318 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558230 | 120318 | 0 | None | 2 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 432 | 11 | 1 | 3 | 3.7 | C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 46682613 | 180574 | 1 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4760823 | 180574 | 1 | None | 2 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 286 | 4 | 1 | 2 | 3.3 | O=C(CCN1CCCc2ccccc21)NC1CCCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 156014205 | 177717 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635385 | 177717 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650957 | 177717 | 0 | None | -5 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 71575652 | 85771 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| CHEMBL2312352 | 85771 | 0 | None | 1 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 381 | 5 | 0 | 4 | 3.6 | CN1CCC(c2ccccc2F)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 | 10.1021/jm301774u | ||
| 44308831 | 202690 | 0 | None | -44 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.2 | CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71933 | 202690 | 0 | None | -44 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 380 | 6 | 2 | 3 | 3.2 | CNCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44593627 | 192696 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524071 | 192696 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL541671 | 192696 | 0 | None | -3 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44448417 | 11804 | 0 | None | -8 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182629 | 11804 | 0 | None | -8 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL256923 | 11804 | 0 | None | -8 | 5 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 550 | 16 | 2 | 4 | 6.7 | CN(CCCN(C)CCCC(O)(c1ccccc1)c1ccccc1)CCCC(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.6b01892 | ||
| 44308832 | 202116 | 0 | None | -45 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 2.8 | NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL68384 | 202116 | 0 | None | -45 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 2.8 | NCC=C1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 14964495 | 12505 | 1 | None | 4 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118700 | 12505 | 1 | None | 4 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 2733619 | 11806 | 5 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 6508725 | 11806 | 5 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL1182634 | 11806 | 5 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL257431 | 11806 | 5 | None | -1 | 5 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 451 | 16 | 0 | 1 | 6.8 | CCCCN(CCCC)c1ccc(/C=C/c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1 | 10.1016/j.bmcl.2007.11.022 | ||
| 10475156 | 121009 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 1 | 2 | 2.5 | C[N+]12CCC(CC1)C(O)(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| CHEMBL358493 | 121009 | 0 | None | -1 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 258 | 1 | 1 | 2 | 2.5 | C[N+]12CCC(CC1)C(O)(c1cc3ccccc3o1)C2 | 10.1021/jm00003a011 | ||
| 15086393 | 13180 | 0 | None | -3 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL1191772 | 13180 | 0 | None | -3 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| CHEMBL542914 | 13180 | 0 | None | -3 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 358 | 8 | 0 | 4 | 4.0 | CCN(CC)CCOC(=O)C1(c2ccc(N3CCCC3)cc2)CCCC1 | 10.1021/jm00114a005 | ||
| 71457691 | 83385 | 0 | None | -1 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205823 | 83385 | 0 | None | -1 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 295 | 3 | 1 | 3 | 2.0 | COc1ccccc1CN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 16125640 | 84318 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 486 | 10 | 1 | 3 | 4.3 | COCC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222917 | 84318 | 0 | None | -1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 486 | 10 | 1 | 3 | 4.3 | COCC[N+]1(CCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 205895 | 11763 | 2 | None | 1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL118240 | 11763 | 2 | None | 1 | 2 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| 10457079 | 9935 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL115078 | 9935 | 0 | None | -4 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 137645938 | 157041 | 0 | None | -407 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4080675 | 157041 | 0 | None | -407 | 8 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 342 | 8 | 0 | 2 | 4.6 | CCCCCC1CCN(CCCN2C(=O)CCc3ccccc32)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 44593617 | 186848 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493795 | 186848 | 0 | None | -2 | 5 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 341 | 3 | 0 | 3 | 3.1 | CN1CCC[C@H]1[C@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44443733 | 154246 | 0 | None | -45 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 7 | 2 | 3 | 3.5 | CC(C)=CCCN1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL400167 | 154246 | 0 | None | -45 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 382 | 7 | 2 | 3 | 3.5 | CC(C)=CCCN1C[C@H]2[C@H](NC(=O)[C@](O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| 202119 | 11930 | 3 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL1183388 | 11930 | 3 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL294470 | 11930 | 3 | None | 1 | 3 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 71461700 | 79184 | 0 | None | 7 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@@H]1CCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2114425 | 79184 | 0 | None | 7 | 2 | Rat | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 206 | 2 | 1 | 2 | 0.8 | O=C1CCCN1CC#CC[C@@H]1CCCN1 | 10.1021/jm00087a008 | ||
| 15678860 | 101913 | 0 | None | 1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 9 | 2 | 6 | 2.8 | NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL303876 | 101913 | 0 | None | 1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 450 | 9 | 2 | 6 | 2.8 | NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 44593627 | 192696 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524071 | 192696 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL541671 | 192696 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 145961161 | 161058 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4129580 | 161058 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@H](CO[C@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 44382880 | 120247 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.5 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C(C)CN1 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL355193 | 120247 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 3.5 | CC1CN(CCC[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)O[C@@H](C)[C@@H]32)C(C)CN1 | 10.1016/s0960-894x(99)00101-8 | ||
| 137629744 | 160628 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4071109 | 160628 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117602 | 160628 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1ccccc1CC[N+](C)(C)C | 10.1021/acs.jmedchem.7b01113 | ||
| 44392984 | 12151 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.6 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL1184654 | 12151 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.6 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL362864 | 12151 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 2 | 0 | 2 | 4.6 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 483747 | 104930 | 2 | None | -177 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL311795 | 104930 | 2 | None | -177 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 503 | 4 | 0 | 5 | 4.9 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10066369 | 119752 | 0 | None | 8 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL352375 | 119752 | 0 | None | 8 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 7 | 0 | 2 | 5.7 | CC(C1=C(CCN(C(C)C)C(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 133640439 | 180791 | 1 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4763304 | 180791 | 1 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 1.9 | O=C(O)C1CCCN1C(=O)CCN1CCCc2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 611107 | 202246 | 1 | None | -1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 451 | 7 | 3 | 7 | 0.4 | NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL69287 | 202246 | 1 | None | -1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 451 | 7 | 3 | 7 | 0.4 | NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 71458134 | 79278 | 0 | None | -1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2115362 | 79278 | 0 | None | -1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | CN1CCC[C@@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 11120347 | 120217 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354841 | 120217 | 0 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 306 | 5 | 0 | 2 | 4.5 | Cc1ccc2c(c1)CC(CCN(C)C)=C2C(C)c1ccccn1 | 10.1021/jm020895l | ||
| 15678858 | 101679 | 0 | None | -5 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 422 | 7 | 2 | 6 | 2.1 | NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302544 | 101679 | 0 | None | -5 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 422 | 7 | 2 | 6 | 2.1 | NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 59291578 | 112288 | 0 | None | -6 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 3 | 1 | 5 | 3.0 | O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3298594 | 112288 | 0 | None | -6 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 3 | 1 | 5 | 3.0 | O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| CHEMBL3305763 | 112288 | 0 | None | -6 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 313 | 3 | 1 | 5 | 3.0 | O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2 | 10.1016/j.bmc.2014.04.031 | ||
| 1726 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1726 | 2461 | 12 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 1993 | 2461 | 12 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 7438 | 2461 | 12 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| DB06709 | 2461 | 12 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 10.1021/jm9705115 | ||
| 44383305 | 59041 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 578 | 8 | 0 | 8 | 4.2 | O=C(COc1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL170739 | 59041 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 578 | 8 | 0 | 8 | 4.2 | O=C(COc1ccccc1)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 4098 | 32289 | 24 | None | -15 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1255739 | 32289 | 24 | None | -15 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| CHEMBL1411979 | 32289 | 24 | None | -15 | 11 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | nan | ||
| 44383373 | 59078 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 4 | 0 | 4 | 3.0 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL170922 | 59078 | 0 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 348 | 4 | 0 | 4 | 3.0 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 44295953 | 188449 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL50927 | 188449 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 486 | 6 | 2 | 3 | 4.9 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44382739 | 119890 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 6 | 0 | 8 | 3.7 | CCOC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL353465 | 119890 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 516 | 6 | 0 | 8 | 3.7 | CCOC(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 9905731 | 167943 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL435353 | 167943 | 0 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1016/s0960-894x(01)00186-x | ||
| 44428745 | 91745 | 0 | None | 3 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| CHEMBL242345 | 91745 | 0 | None | 3 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 635 | 23 | 2 | 6 | 7.9 | COc1ccccc1CNCCCCCCN1CCC(CCC2CCN(CCCCCCNCc3ccccc3OC)CC2)CC1 | 10.1016/j.bmc.2007.01.022 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 10.1021/acs.jmedchem.8b01967 | ||
| 46188794 | 177744 | 0 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4645580 | 177744 | 0 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4651099 | 177744 | 0 | None | -19 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44267747 | 9966 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 544 | 8 | 0 | 4 | 7.7 | CC(C)Oc1ccc2c(C(=O)N3CCC(N4CCC(Cc5ccc(SC(C)C)cc5)CC4)CC3)cccc2c1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11527 | 9966 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 544 | 8 | 0 | 4 | 7.7 | CC(C)Oc1ccc2c(C(=O)N3CCC(N4CCC(Cc5ccc(SC(C)C)cc5)CC4)CC3)cccc2c1 | 10.1016/s0960-894x(02)00096-3 | ||
| 118710670 | 120320 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323284 | 120320 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558233 | 120320 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 11531644 | 175839 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 330 | 5 | 1 | 2 | 3.3 | C[N+]12CCC(CC1)C(OCC(O)(c1ccccc1)C1CCCC1)C2 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL4560341 | 175839 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 330 | 5 | 1 | 2 | 3.3 | C[N+]12CCC(CC1)C(OCC(O)(c1ccccc1)C1CCCC1)C2 | 10.1021/acs.jmedchem.8b01520 | ||
| CHEMBL4596085 | 175839 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 330 | 5 | 1 | 2 | 3.3 | C[N+]12CCC(CC1)C(OCC(O)(c1ccccc1)C1CCCC1)C2 | 10.1021/acs.jmedchem.8b01520 | ||
| 44431382 | 87593 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234438 | 87593 | 0 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 199230 | 162585 | 18 | None | 37 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| CHEMBL41779 | 162585 | 18 | None | 37 | 2 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| 10086238 | 78498 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 301 | 7 | 0 | 5 | 3.5 | CN1CCC=C(c2nsnc2SCCCCCF)C1 | 10.1021/jm00001a002 | ||
| CHEMBL2112940 | 78498 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 301 | 7 | 0 | 5 | 3.5 | CN1CCC=C(c2nsnc2SCCCCCF)C1 | 10.1021/jm00001a002 | ||
| 66875589 | 102915 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| CHEMBL3084662 | 102915 | 0 | None | -7 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 321 | 4 | 1 | 2 | 4.2 | CN1[C@H]2CC[C@@H]1C[C@H](CC(O)(c1ccccc1)c1ccccc1)C2 | 10.1016/j.bmcl.2009.07.006 | ||
| 10155225 | 95396 | 0 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 356 | 3 | 0 | 3 | 3.6 | COC1(C#CC(C#N)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| CHEMBL258959 | 95396 | 0 | None | -2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 356 | 3 | 0 | 3 | 3.6 | COC1(C#CC(C#N)(c2ccccc2)c2ccccc2)CN2CCC1CC2 | 10.1016/j.bmcl.2008.03.024 | ||
| 14210083 | 156171 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.6b01892 | ||
| CHEMBL4070155 | 156171 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 478 | 9 | 2 | 5 | 4.5 | CCCN(CCC)CC1CCCCN1CCNC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/acs.jmedchem.6b01892 | ||
| 118710670 | 120320 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323284 | 120320 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558233 | 120320 | 0 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 10163651 | 162682 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL418446 | 162682 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 493 | 5 | 1 | 4 | 5.3 | CC(=C1CCN(C2CCN(C(=O)c3cccc(C)c3N)CC2)CC1)c1ccc([S+]([O-])C(C)C)cc1 | 10.1021/jm0255163 | ||
| 44627740 | 197080 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL583051 | 197080 | 0 | None | -5 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCCC1c1ccc(C(O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 10497101 | 70125 | 0 | None | -4 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 336 | 4 | 1 | 3 | 3.6 | O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 | 10.1021/jm050099q | ||
| CHEMBL194628 | 70125 | 0 | None | -4 | 3 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 336 | 4 | 1 | 3 | 3.6 | O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 | 10.1021/jm050099q | ||
| 13773336 | 79273 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2115342 | 79273 | 0 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 9894136 | 165683 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 564 | 9 | 0 | 8 | 3.7 | CCCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| CHEMBL426761 | 165683 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 564 | 9 | 0 | 8 | 3.7 | CCCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)CC2)CC1 | 10.1016/s0960-894x(01)00100-7 | ||
| 939077 | 193398 | 2 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| CHEMBL549577 | 193398 | 2 | None | - | 1 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.02.036 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.02.036 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.02.036 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 10.1016/j.bmcl.2005.02.036 | ||
| 118710668 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3323283 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3558234 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 2028 | 2931 | 77 | None | -5 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.02.036 | ||
| 359 | 2931 | 77 | None | -5 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.02.036 | ||
| 4634 | 2931 | 77 | None | -5 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL1231 | 2931 | 77 | None | -5 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.02.036 | ||
| DB01062 | 2931 | 77 | None | -5 | 11 | Rat | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2005.02.036 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 303 | 2930 | 16 | None | 1 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 4629 | 2930 | 16 | None | 1 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 8595 | 2930 | 16 | None | 1 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL44674 | 2930 | 16 | None | 1 | 6 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 44627854 | 196032 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL571341 | 196032 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.9 | CN1CCC[C@H]1c1ccc([C@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 156015971 | 177707 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4648444 | 177707 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650880 | 177707 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 318 | 4 | 0 | 2 | 3.6 | C[N+](C)(C)C[C@@H]1CO[C@](c2ccccc2)(C2CCCCC2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 9991979 | 118653 | 1 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 242 | 1 | 0 | 3 | 3.4 | C1=C(c2nc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL342958 | 118653 | 1 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 242 | 1 | 0 | 3 | 3.4 | C1=C(c2nc3ccccc3s2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 14964507 | 113856 | 1 | None | -5 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| CHEMBL333107 | 113856 | 1 | None | -5 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@H]1CC(=O)N(CC#CCN2CCCC2)C1 | 10.1021/jm00075a007 | ||
| 75356563 | 156415 | 20 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4072787 | 156415 | 20 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 184 | 3 | 1 | 4 | 1.0 | c1csc(COC2CCNC2)n1 | 10.1021/acs.jmedchem.7b01113 | ||
| 118719926 | 115280 | 0 | None | -138 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354073 | 115280 | 0 | None | -138 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 358 | 9 | 1 | 3 | 3.6 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCO)CC1 | 10.1021/jm501173q | ||
| 11001809 | 58772 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169594 | 58772 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 322 | 6 | 0 | 4 | 2.7 | CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 46227461 | 14021 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198077 | 14021 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594803 | 14021 | 0 | None | -1 | 5 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 631644 | 202378 | 1 | None | 1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 551 | 8 | 3 | 8 | 2.0 | CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL70133 | 202378 | 1 | None | 1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 551 | 8 | 3 | 8 | 2.0 | CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 118710664 | 120319 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323281 | 120319 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558231 | 120319 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 60138186 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 60138193 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323288 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558240 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 145960827 | 160833 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4126290 | 160833 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 379 | 5 | 0 | 4 | 3.5 | c1ccc(C2(c3ccccc3)COC[C@@H](CO[C@@H]3CN4CCC3CC4)O2)cc1 | 10.1016/j.ejmech.2017.06.004 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00111a032 | ||
| 1353 | 1880 | 85 | None | -338 | 85 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| 3559 | 1880 | 85 | None | -338 | 85 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| 86 | 1880 | 85 | None | -338 | 85 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| CHEMBL54 | 1880 | 85 | None | -338 | 85 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| DB00502 | 1880 | 85 | None | -338 | 85 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1021/jm00039a008 | ||
| 502259 | 116298 | 1 | None | -61 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 571 | 4 | 0 | 5 | 5.9 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL337820 | 116298 | 1 | None | -61 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 571 | 4 | 0 | 5 | 5.9 | Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 909982 | 200409 | 8 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL608828 | 200409 | 8 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 169 | 1 | 0 | 3 | 0.6 | CC(=O)O[C@@H]1CN2CCC1CC2 | 10.1016/j.bmc.2007.12.036 | ||
| 162353390 | 180367 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4758316 | 180367 | 0 | None | 2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 302 | 4 | 1 | 3 | 2.1 | O=C(CCN1CCCc2ccccc21)N1CCCC(CO)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 109035056 | 180741 | 1 | None | 7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4762755 | 180741 | 1 | None | 7 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 331 | 4 | 1 | 3 | 4.0 | O=C(CCN1CCCc2ccccc21)Nc1cccc2cccnc12 | 10.1016/j.bmcl.2020.127632 | ||
| 164609373 | 187880 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 456 | 16 | 8 | 7 | -1.6 | CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846035 | 187880 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 456 | 16 | 8 | 7 | -1.6 | CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027958 | 187880 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 456 | 16 | 8 | 7 | -1.6 | CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| 162353378 | 182329 | 0 | None | 3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4792360 | 182329 | 0 | None | 3 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 288 | 3 | 1 | 3 | 1.8 | O=C(CCN1CCCc2ccccc21)N1CCCC(O)C1 | 10.1016/j.bmcl.2020.127632 | ||
| 44446841 | 12232 | 0 | None | 2 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1185281 | 12232 | 0 | None | 2 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL404557 | 12232 | 0 | None | 2 | 4 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 11819882 | 17261 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2cccs2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL125764 | 17261 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 191 | 1 | 0 | 2 | 2.8 | C1=C(c2cccs2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 16124769 | 84356 | 0 | None | -23 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 425 | 6 | 0 | 2 | 5.3 | O=C1N(C2CCN(Cc3ccccc3)CC2)CC(c2ccccc2)N1Cc1ccccc1 | 10.1021/jm061159a | ||
| CHEMBL223188 | 84356 | 0 | None | -23 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 425 | 6 | 0 | 2 | 5.3 | O=C1N(C2CCN(Cc3ccccc3)CC2)CC(c2ccccc2)N1Cc1ccccc1 | 10.1021/jm061159a | ||
| 319 | 1297 | 39 | None | -18 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2007.06.081 | ||
| 321 | 1297 | 39 | None | -18 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2007.06.081 | ||
| 444031 | 1297 | 39 | None | -18 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2007.06.081 | ||
| 784 | 1297 | 39 | None | -18 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL1346 | 1297 | 39 | None | -18 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2007.06.081 | ||
| DB00496 | 1297 | 39 | None | -18 | 9 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 10.1016/j.bmcl.2007.06.081 | ||
| 10125445 | 75675 | 0 | None | -25 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| CHEMBL205654 | 75675 | 0 | None | -25 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 286 | 4 | 1 | 4 | 3.6 | Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1 | 10.1016/j.bmcl.2006.01.006 | ||
| 164615651 | 187927 | 0 | None | 41 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4852079 | 187927 | 0 | None | 41 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028329 | 187927 | 0 | None | 41 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 16094793 | 82909 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| CHEMBL219118 | 82909 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 467 | 16 | 0 | 12 | 3.1 | COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1 | 10.1021/jm0606995 | ||
| 9799291 | 159573 | 0 | None | -169 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 2.9 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL410890 | 159573 | 0 | None | -169 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 5 | 2 | 3 | 2.9 | NCCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 14964497 | 14176 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119985 | 14176 | 0 | None | - | 1 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 3013846 | 187656 | 2 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| CHEMBL499519 | 187656 | 2 | None | -4 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 757 | 23 | 5 | 11 | 5.9 | CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(-c2ccccc2O)n1)C(C)C(=O)NC1CCCCN(O)C1=O | 10.1021/np050091j | ||
| 137631178 | 160657 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | COc1cccc(CCC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4081662 | 160657 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | COc1cccc(CCC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117768 | 160657 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 208 | 5 | 0 | 1 | 2.3 | COc1cccc(CCC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44443728 | 93598 | 0 | None | -25 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 2 | 3 | 3.9 | CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL248809 | 93598 | 0 | None | -25 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 6 | 2 | 3 | 3.9 | CC(c1ccccc1)N1C[C@H]2[C@H](NC(=O)C(O)(c3ccccc3)C3CCCC3)[C@H]2C1 | 10.1016/j.bmcl.2007.06.081 | ||
| 44318969 | 204360 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 384 | 6 | 0 | 2 | 5.0 | O=C(c1ccccc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85568 | 204360 | 0 | None | -3 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 384 | 6 | 0 | 2 | 5.0 | O=C(c1ccccc1)N(Cc1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44319016 | 204417 | 0 | None | -25 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccc(Cl)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL86012 | 204417 | 0 | None | -25 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccc(Cl)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 44319017 | 204586 | 0 | None | -19 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccc(Br)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL87132 | 204586 | 0 | None | -19 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 448 | 5 | 0 | 2 | 5.8 | O=C(c1ccc(Br)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 10418420 | 69930 | 0 | None | -47 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 955 | 27 | 0 | 10 | 10.9 | CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL194216 | 69930 | 0 | None | -47 | 4 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 955 | 27 | 0 | 10 | 10.9 | CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2 | 10.1016/0960-894X(95)00113-8 | ||
| 11169365 | 112020 | 0 | None | -99 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298986 | 112020 | 0 | None | -99 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 502 | 11 | 6 | 7 | 4.0 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 137630084 | 160498 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1C[N+](C)(C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4070055 | 160498 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1C[N+](C)(C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116507 | 160498 | 0 | None | -1 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 192 | 1 | 0 | 1 | 1.8 | COc1cccc2c1C[N+](C)(C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 57326140 | 76826 | 0 | None | 2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042400 | 76826 | 0 | None | 2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078962 | 76826 | 0 | None | 2 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 188 | 3 | 0 | 2 | 0.9 | CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 | 10.1021/jm2013216 | ||
| 44406451 | 72597 | 0 | None | -6 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 2 | 1 | 3 | 3.8 | CO[C@]1(C#CC(O)C2c3ccccc3C=Cc3ccccc32)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200566 | 72597 | 0 | None | -6 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 385 | 2 | 1 | 3 | 3.8 | CO[C@]1(C#CC(O)C2c3ccccc3C=Cc3ccccc32)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 542182 | 101691 | 1 | None | 1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 465 | 8 | 3 | 7 | 0.8 | NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL302604 | 101691 | 1 | None | 1 | 3 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 465 | 8 | 3 | 7 | 0.8 | NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 71460014 | 79276 | 0 | None | 4 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| CHEMBL2115360 | 79276 | 0 | None | 4 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 220 | 2 | 1 | 2 | 1.1 | O=C1CCCN1CC#CC[C@H]1CCCCN1 | 10.1021/jm00087a008 | ||
| 44400887 | 70654 | 0 | None | -2 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 5 | 2 | 3 | 2.0 | O=C(NCC#CCN1CC2CC2C1)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL195169 | 70654 | 0 | None | -2 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 360 | 5 | 2 | 3 | 2.0 | O=C(NCC#CCN1CC2CC2C1)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2005.02.036 | ||
| 60138186 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 60138193 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323288 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558240 | 120323 | 0 | None | 23 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 44627741 | 196005 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| CHEMBL571123 | 196005 | 0 | None | -1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 317 | 4 | 0 | 2 | 5.2 | CN1CCCC1c1ccc(C(c2ccccc2)c2ccccc2)o1 | 10.1021/jm901048j | ||
| 44593619 | 186877 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL493980 | 186877 | 0 | None | -6 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44308746 | 202153 | 0 | None | -138 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 352 | 3 | 2 | 3 | 2.6 | CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL68609 | 202153 | 0 | None | -138 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 352 | 3 | 2 | 3 | 2.6 | CC1(N)CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 10572658 | 121466 | 0 | None | -33 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL359197 | 121466 | 0 | None | -33 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 393 | 6 | 2 | 4 | 3.2 | O=C(NC1CCN(Cc2ccncc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 162675053 | 182676 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4796491 | 182676 | 0 | None | -1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 300 | 5 | 1 | 3 | 3.2 | O=C(CCN1CCCc2ccccc21)NCc1cccs1 | 10.1016/j.bmcl.2020.127632 | ||
| 44578707 | 181559 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| CHEMBL478227 | 181559 | 0 | None | 2 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 2.9 | CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)[C@@H]2CCCC[C@@H]21 | 10.1016/j.bmc.2008.06.025 | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 164618644 | 187946 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 14 | 7 | 6 | -1.1 | CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872142 | 187946 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 14 | 7 | 6 | -1.1 | CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028508 | 187946 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 385 | 14 | 7 | 6 | -1.1 | CCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O | 10.1016/j.ejmech.2021.113159 | ||
| 57326144 | 76838 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042402 | 76838 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2079061 | 76838 | 0 | None | 1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 10457079 | 9935 | 0 | None | -4 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL115078 | 9935 | 0 | None | -4 | 2 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 462 | 19 | 3 | 5 | 4.0 | CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 162353389 | 180942 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 3.3 | O=C(CCN1CCCc2ccccc21)Nc1ccc(O)cc1F | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4765133 | 180942 | 0 | None | - | 1 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 3.3 | O=C(CCN1CCCc2ccccc21)Nc1ccc(O)cc1F | 10.1016/j.bmcl.2020.127632 | ||
| 44443735 | 93947 | 0 | None | -52 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 448 | 7 | 2 | 5 | 3.1 | O=C(N[C@H]1[C@@H]2CN(CCc3ccc4c(c3)OCO4)C[C@@H]21)[C@](O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL250834 | 93947 | 0 | None | -52 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 448 | 7 | 2 | 5 | 3.1 | O=C(N[C@H]1[C@@H]2CN(CCc3ccc4c(c3)OCO4)C[C@@H]21)[C@](O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 9998202 | 68824 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192485 | 68824 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 353 | 5 | 1 | 4 | 2.6 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| 44420821 | 83872 | 0 | None | -15 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 5 | 1 | 2 | 5.2 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC2CCC(C1)N2Cc1ccccc1 | 10.1021/jm061159a | ||
| CHEMBL221400 | 83872 | 0 | None | -15 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 437 | 5 | 1 | 2 | 5.2 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CC2CCC(C1)N2Cc1ccccc1 | 10.1021/jm061159a | ||
| 44383352 | 59380 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| CHEMBL172272 | 59380 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 416 | 5 | 0 | 4 | 4.7 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(N4CCCCC4)CC3)[C@@H]12 | 10.1016/s0960-894x(99)00101-8 | ||
| 10096017 | 102970 | 0 | None | 1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Br)cc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084897 | 102970 | 0 | None | 1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 463 | 4 | 0 | 2 | 5.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccc(Br)cc1)c1ccc(Br)cc1)C2 | 10.1021/jm00020a006 | ||
| 118719920 | 115273 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354066 | 115273 | 0 | None | -2 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 10 | 0 | 7 | 4.5 | CN1CCC=C(c2nsnc2OCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44593620 | 187353 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496915 | 187353 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 347 | 3 | 0 | 3 | 3.7 | CN1CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm9904001 | ||
| 2551 | 782 | 23 | None | -8 | 11 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| 298 | 782 | 23 | None | -8 | 11 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| 488 | 782 | 23 | None | -8 | 11 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| CHEMBL965 | 782 | 23 | None | -8 | 11 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| DB00411 | 782 | 23 | None | -8 | 11 | Mouse | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| 71450550 | 83393 | 0 | None | -1 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205836 | 83393 | 0 | None | -1 | 16 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 309 | 4 | 1 | 3 | 2.0 | COc1ccccc1CCN1C2C3C4CC5C6C4C2C6C1(O)C53 | 10.1016/j.bmcl.2012.08.046 | ||
| 156017826 | 177284 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4644285 | 177284 | 0 | None | -3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@@H]1COC[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 10408160 | 12939 | 0 | None | -3 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 391 | 7 | 0 | 3 | 5.3 | O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL1190020 | 12939 | 0 | None | -3 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 391 | 7 | 0 | 3 | 5.3 | O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| CHEMBL540013 | 12939 | 0 | None | -3 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 391 | 7 | 0 | 3 | 5.3 | O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1 | 10.1021/jm00039a008 | ||
| 44299589 | 194723 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL56275 | 194723 | 0 | None | 1 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 44450624 | 95490 | 0 | None | 12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL259344 | 95490 | 0 | None | 12 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 202 | 1 | 0 | 2 | 1.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1 | 10.1016/j.bmc.2007.12.036 | ||
| 11045444 | 58877 | 0 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL170088 | 58877 | 0 | None | -2 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 320 | 7 | 0 | 2 | 4.9 | CCCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 11000399 | 58786 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL169680 | 58786 | 0 | None | -1 | 5 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 278 | 5 | 0 | 2 | 3.6 | CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 463209 | 120619 | 1 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL357557 | 120619 | 1 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 5 | 0 | 6 | 4.8 | Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(02)00918-6 | ||
| 134272502 | 175734 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(O[C@@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4514058 | 175734 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(O[C@@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4595246 | 175734 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 456 | 8 | 1 | 3 | 4.7 | O=C(O[C@@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 44392974 | 64209 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 2 | 0 | 3 | 4.5 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| CHEMBL181447 | 64209 | 0 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 343 | 2 | 0 | 3 | 4.5 | C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12 | 10.1016/j.bmcl.2004.05.047 | ||
| 16086062 | 80379 | 0 | None | -128 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL215189 | 80379 | 0 | None | -128 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 730 | 11 | 2 | 5 | 5.4 | O=C(NCC1CCN(CC2CCC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 44308809 | 202677 | 0 | None | -123 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 366 | 5 | 3 | 3 | 2.9 | NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL71799 | 202677 | 0 | None | -123 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 366 | 5 | 3 | 3 | 2.9 | NCC1CCC(NC(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 56963799 | 74546 | 0 | None | -1698 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| CHEMBL2031737 | 74546 | 0 | None | -1698 | 10 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 378 | 6 | 0 | 5 | 4.6 | C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)ccc2o1 | 10.1021/jm201690h | ||
| 132060812 | 161487 | 0 | None | -1778 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| CHEMBL4160064 | 161487 | 0 | None | -1778 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 329 | 4 | 0 | 2 | 4.9 | COc1cccc(-c2ccc3c(c2)CCN(Cc2ccccc2)C3)c1 | 10.1016/j.ejmech.2018.02.024 | ||
| 4011 | 81996 | 43 | None | -35 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| CHEMBL21731 | 81996 | 43 | None | -35 | 23 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | nan | ||
| 44593622 | 187213 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL495888 | 187213 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL556390 | 187213 | 0 | None | 1 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 356 | 3 | 0 | 2 | 3.3 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])C(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10647553 | 39480 | 0 | None | -407 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 7 | 3 | 4 | 3.6 | O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147554 | 39480 | 0 | None | -407 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 7 | 3 | 4 | 3.6 | O=C(NC1CCN(Cc2cccc(CO)c2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| 44422699 | 11746 | 0 | None | 5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL1182272 | 11746 | 0 | None | 5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| CHEMBL227378 | 11746 | 0 | None | 5 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 174 | 2 | 0 | 2 | 0.5 | C[C@@H]1COC[C@H](C[N+](C)(C)C)O1 | 10.1016/j.bmcl.2007.11.073 | ||
| 10473919 | 203024 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 11 | 0 | 5 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL74305 | 203024 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 11 | 0 | 5 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccc(OC)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| 16125571 | 84726 | 0 | None | -79 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 6 | 1 | 3 | 4.6 | COc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| CHEMBL225074 | 84726 | 0 | None | -79 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 6 | 1 | 3 | 4.6 | COc1cccc(CN2CCC(N3CC(c4ccccc4)(c4ccccc4)NC3=O)CC2)c1 | 10.1021/jm061159a | ||
| 66561967 | 74355 | 0 | None | -1 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| CHEMBL2030626 | 74355 | 0 | None | -1 | 7 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 213 | 2 | 0 | 1 | 2.0 | C1CC2CCC1N2CC12C3C4C5C3C1C5C42 | 10.1016/j.bmcl.2012.04.077 | ||
| 44295888 | 187674 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL49975 | 187674 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 461 | 6 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)N1CCC(N2CCC(Cc3ccc(C(=O)NC(C)C)cc3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 9815331 | 201417 | 1 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| CHEMBL64000 | 201417 | 1 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 169 | 1 | 1 | 3 | 0.8 | CC(=O)OC1CC2CCCC1N2 | 10.1021/jm9904001 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/acs.jmedchem.9b02172 | ||
| 118710668 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3323283 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3558234 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 118710668 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3323283 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3558234 | 120321 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 140844410 | 175818 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 484 | 10 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4436947 | 175818 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 484 | 10 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4595946 | 175818 | 0 | None | 2 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 484 | 10 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCCCc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 71454562 | 79244 | 0 | None | 6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2115126 | 79244 | 0 | None | 6 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 44431387 | 86890 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL233201 | 86890 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 164609510 | 187881 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4846562 | 187881 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5027965 | 187881 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 817 | 21 | 11 | 10 | 0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 10204457 | 202698 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 6 | 0 | 6 | 4.0 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL71971 | 202698 | 0 | None | -1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 453 | 6 | 0 | 6 | 4.0 | COc1ccc(S(=O)(=O)c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 10.1021/jm00402a035 | ||
| 13567081 | 11130 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL1178839 | 11130 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| CHEMBL45454 | 11130 | 0 | None | -6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 320 | 4 | 0 | 2 | 4.3 | C[N+](C)(C)C[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/jm061374r | ||
| 44292563 | 187197 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.1 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CCF)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL49576 | 187197 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 383 | 6 | 1 | 4 | 3.1 | O=C(OC1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1ccc(CCF)cc1 | 10.1021/jm00010a016 | ||
| 71449148 | 79128 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| CHEMBL2114064 | 79128 | 0 | None | 1 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 436 | 6 | 0 | 4 | 5.5 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)C3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00437-6 | ||
| 155523889 | 175950 | 0 | None | 11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4454134 | 175950 | 0 | None | 11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4597014 | 175950 | 0 | None | 11 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 803 | 21 | 9 | 9 | 1.8 | CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 14939893 | 9443 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL112244 | 9443 | 0 | None | -1 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 621 | 24 | 3 | 7 | 6.2 | CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21 | 10.1021/jm981038d | ||
| 24846938 | 89371 | 0 | None | -6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 339 | 8 | 1 | 5 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377267 | 89371 | 0 | None | -6 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 339 | 8 | 1 | 5 | 3.4 | CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1 | 10.1016/j.bmc.2013.01.072 | ||
| 10030021 | 169312 | 8 | None | 6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4440484 | 169312 | 8 | None | 6 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 532 | 10 | 1 | 4 | 6.1 | CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 9913341 | 81746 | 3 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL216927 | 81746 | 3 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| CHEMBL553058 | 81746 | 3 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0301235 | ||
| 156014269 | 176642 | 0 | None | -10 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635500 | 176642 | 0 | None | -10 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 303 | 4 | 0 | 3 | 3.4 | CN(C)C[C@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 44319071 | 204300 | 0 | None | -7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL84993 | 204300 | 0 | None | -7 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 404 | 5 | 0 | 2 | 5.7 | O=C(c1ccccc1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 9913341 | 81746 | 3 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL216927 | 81746 | 3 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| CHEMBL553058 | 81746 | 3 | None | -3 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 487 | 16 | 0 | 13 | 1.6 | COc1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 | 10.1021/jm0606995 | ||
| 9818955 | 9253 | 1 | None | 2 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL111224 | 9253 | 1 | None | 2 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 205895 | 11763 | 2 | None | 1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL118240 | 11763 | 2 | None | 1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.1 | O=C1CCCN1CC#CCN1CCCCC1 | 10.1021/jm00075a007 | ||
| 55005 | 104296 | 7 | None | -1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL310852 | 104296 | 7 | None | -1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 199230 | 162585 | 18 | None | 37 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| CHEMBL41779 | 162585 | 18 | None | 37 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00075a007 | ||
| 10262466 | 97892 | 0 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL275104 | 97892 | 0 | None | 3 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 208 | 2 | 0 | 3 | 0.3 | O=C1CCON1CC#CCN1CCCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 10621363 | 121176 | 0 | None | -48 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| CHEMBL358726 | 121176 | 0 | None | -48 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 406 | 6 | 2 | 3 | 4.2 | Cc1cccc(CN2CCC(NC(=O)C(O)(c3ccccc3)C3CCCC3)CC2)c1 | 10.1021/jm0003135 | ||
| 44593625 | 187547 | 0 | None | -5 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498358 | 187547 | 0 | None | -5 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539120 | 187547 | 0 | None | -5 | 5 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@H]1[C@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 10449632 | 102971 | 0 | None | -56 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 0 | 2 | 5.0 | CCc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084898 | 102971 | 0 | None | -56 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 335 | 5 | 0 | 2 | 5.0 | CCc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 | 10.1021/jm00020a006 | ||
| 71458105 | 79186 | 0 | None | -1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL2114427 | 79186 | 0 | None | -1 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 234 | 2 | 0 | 2 | 1.5 | CN1CCCC[C@H]1CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 145962050 | 161083 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4130037 | 161083 | 0 | None | -3 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 10949838 | 5150 | 0 | None | -234 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL106218 | 5150 | 0 | None | -234 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 420 | 4 | 0 | 6 | 4.4 | CCOC(=O)c1c(CC)n(C)c2ccc3c(c12)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 73346226 | 91832 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 8 | 0 | 7 | 3.4 | COCC(c1ccc(-c2ncccn2)cc1)N1CC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426668 | 91832 | 0 | None | -1 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 487 | 8 | 0 | 7 | 3.4 | COCC(c1ccc(-c2ncccn2)cc1)N1CC2(CCN(C(=O)Cc3ccc(OC)cn3)CC2)C1 | 10.1016/j.bmcl.2013.07.044 | ||
| 164621361 | 187968 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 775 | 17 | 11 | 10 | -0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4865137 | 187968 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 775 | 17 | 11 | 10 | -0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028648 | 187968 | 0 | None | -2 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 775 | 17 | 11 | 10 | -0.5 | CC(=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 14964498 | 13774 | 0 | None | 6 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119615 | 13774 | 0 | None | 6 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 10405613 | 200831 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1016/0960-894X(96)00107-2 | ||
| CHEMBL611476 | 200831 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 350 | 2 | 1 | 4 | 3.0 | CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1016/0960-894X(96)00107-2 | ||
| 14964496 | 8876 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL109815 | 8876 | 0 | None | 1 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 10354969 | 13461 | 15 | None | -4 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1194009 | 13461 | 15 | None | -4 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL545506 | 13461 | 15 | None | -4 | 2 | Rat | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2ccc(-c3ccccc3)nn2)CC1 | 10.1021/jm9705418 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | nan | ||
| 10088338 | 102963 | 0 | None | -15 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 4 | 0 | 2 | 5.0 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 | 10.1021/jm00020a006 | ||
| CHEMBL3084888 | 102963 | 0 | None | -15 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 335 | 4 | 0 | 2 | 5.0 | Cc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccc(C)cc2)cc1 | 10.1021/jm00020a006 | ||
| 44400375 | 68832 | 0 | None | -2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 1 | 4 | 3.0 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL192537 | 68832 | 0 | None | -2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 367 | 5 | 1 | 4 | 3.0 | O=C(OCC#CCN1CC2CC2C1)C(O)(c1ccccc1)C1CCCCC1 | 10.1016/j.bmcl.2005.02.036 | ||
| 11767229 | 78507 | 0 | None | -72 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| CHEMBL2112956 | 78507 | 0 | None | -72 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 607 | 15 | 2 | 3 | 7.5 | O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1 | 10.1021/jm010480k | ||
| 9308 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL1255785 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL12587 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| CHEMBL292911 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9904001 | ||
| 57339144 | 91806 | 71 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | nan | ||
| CHEMBL2426364 | 91806 | 71 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 529 | 6 | 1 | 5 | 4.8 | O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Nc2ccccc2)c1)N1CCC(N2CCCC2)CC1 | nan | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/acs.jmedchem.9b02172 | ||
| 162353391 | 180239 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756873 | 180239 | 0 | None | 1 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 282 | 4 | 1 | 4 | 2.3 | O=C(CCN1CCCc2ccccc21)Nc1cccnn1 | 10.1016/j.bmcl.2020.127632 | ||
| 44448606 | 11813 | 0 | None | -12 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1182652 | 11813 | 0 | None | -12 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL258385 | 11813 | 0 | None | -12 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 310 | 6 | 2 | 3 | 2.6 | OC(CCCN1CCNCC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 10114698 | 4764 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| CHEMBL104210 | 4764 | 0 | None | -660 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 448 | 7 | 1 | 5 | 5.5 | CCCCCc1[nH]c2ccc3c(c2c1C(=O)OCC)CN1CCc2cc(OC)ccc2C1O3 | 10.1021/jm011116o | ||
| 46227481 | 14024 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198081 | 14024 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL595022 | 14024 | 0 | None | -1 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 202 | 2 | 0 | 2 | 1.3 | C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C | 10.1016/j.bmc.2009.10.027 | ||
| 16086001 | 138684 | 0 | None | -426 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| CHEMBL378772 | 138684 | 0 | None | -426 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 716 | 11 | 2 | 5 | 5.0 | O=C(NCC1CCN(CC2CC2)CC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm051205r | ||
| 16125373 | 84366 | 0 | None | -28 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 5.2 | O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL223267 | 84366 | 0 | None | -28 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 5.2 | O=C1NC(c2ccccc2)(C2CCCCC2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 44318930 | 105691 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| CHEMBL313738 | 105691 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 251 | 2 | 0 | 3 | 2.7 | CN1C2CCCC1C(OC(=O)C1CCCCC1)C2 | 10.1021/jm9904001 | ||
| 16086000 | 79946 | 0 | None | -1412 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| CHEMBL214342 | 79946 | 0 | None | -1412 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 676 | 9 | 2 | 5 | 4.2 | CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1021/jm051205r | ||
| 9802631 | 111505 | 1 | None | -3467 | 5 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 3.7 | COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm9601720 | ||
| CHEMBL328866 | 111505 | 1 | None | -3467 | 5 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 3.7 | COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm9601720 | ||
| 130442480 | 174698 | 0 | None | -89 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4572614 | 174698 | 0 | None | -89 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 410 | 3 | 0 | 6 | 5.7 | Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F | 10.1021/acs.jmedchem.9b00351 | ||
| 44400762 | 70224 | 0 | None | -2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 5 | 2 | 3 | 2.3 | O=C(NCC#CCN1CC2CC2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2005.02.036 | ||
| CHEMBL194870 | 70224 | 0 | None | -2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 396 | 5 | 2 | 3 | 2.3 | O=C(NCC#CCN1CC2CC2C1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1016/j.bmcl.2005.02.036 | ||
| 3028236 | 102126 | 1 | None | -1380 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL2377383 | 102126 | 1 | None | -1380 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| CHEMBL3041159 | 102126 | 1 | None | -1380 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 340 | 9 | 0 | 2 | 4.2 | CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2013.01.072 | ||
| 10336882 | 102973 | 0 | None | -10 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 332 | 4 | 0 | 3 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C#N)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL3084900 | 102973 | 0 | None | -10 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 332 | 4 | 0 | 3 | 4.3 | CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccc(C#N)cc1)C2 | 10.1021/jm00020a006 | ||
| 939078 | 62740 | 2 | None | -12 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| CHEMBL1788286 | 62740 | 2 | None | -12 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 335 | 2 | 0 | 4 | 3.6 | O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 | 10.1021/jm00402a035 | ||
| 44313626 | 202862 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 399 | 7 | 0 | 4 | 4.8 | O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL73017 | 202862 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 399 | 7 | 0 | 4 | 4.8 | O=C(OCOCCN1CCCC1)C1(c2ccc(Cl)c(Cl)c2)CCCCC1 | 10.1021/jm00041a006 | ||
| 164611347 | 187890 | 0 | None | 14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4856090 | 187890 | 0 | None | 14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028070 | 187890 | 0 | None | 14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 44576913 | 192711 | 0 | None | -3 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL524186 | 192711 | 0 | None | -3 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL557808 | 192711 | 0 | None | -3 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 336 | 4 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 44274441 | 98636 | 0 | None | 1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL280684 | 98636 | 0 | None | 1 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 320 | 5 | 0 | 4 | 3.1 | CN(C)CCOC(=O)C1=C/C(=C\c2cccnc2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 24894625 | 9686 | 0 | None | 2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL113580 | 9686 | 0 | None | 2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| CHEMBL553155 | 9686 | 0 | None | 2 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 166 | 1 | 0 | 1 | 2.2 | C[N+]1(C)CCC[C@H]1c1ccco1 | 10.1021/jm800145d | ||
| 156014813 | 177709 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4649668 | 177709 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650897 | 177709 | 0 | None | -1 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 376 | 5 | 0 | 4 | 2.7 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(S(=O)(=O)c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 5282593 | 54972 | 25 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1319362 | 54972 | 25 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| CHEMBL1618018 | 54972 | 25 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(O)c1ccccc1)C2 | nan | ||
| 9308 | 17572 | 16 | None | -2 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | -2 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | -2 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | -2 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 9308 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL1255785 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL12587 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| CHEMBL292911 | 17572 | 16 | None | 2 | 7 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 174 | 2 | 1 | 2 | 0.2 | C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O | 10.1021/jm9705115 | ||
| 11504244 | 106037 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 60138185 | 106037 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3121474 | 106037 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3140249 | 106037 | 0 | None | 199 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 164623530 | 187988 | 0 | None | 61 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872632 | 187988 | 0 | None | 61 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028763 | 187988 | 0 | None | 61 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 903 | 21 | 10 | 13 | -1.3 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 2750 | 202363 | 69 | None | -4 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| CHEMBL7002 | 202363 | 69 | None | -4 | 12 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | ||
| 44627958 | 13922 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197374 | 13922 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL569089 | 13922 | 0 | None | -2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 11718570 | 71858 | 0 | None | -9 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 376 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL198065 | 71858 | 0 | None | -9 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 376 | 3 | 0 | 3 | 4.1 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 | 10.1021/jm050099q | ||
| 456292 | 96301 | 1 | None | -42 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 553 | 6 | 0 | 5 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| CHEMBL264442 | 96301 | 1 | None | -42 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 553 | 6 | 0 | 5 | 6.0 | Cc1cccc(C)c1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(Cc4ccc5c(c4)OCO5)cc3)[C@@H](C)C2)CC1 | 10.1016/s0960-894x(01)00381-x | ||
| 44309153 | 201820 | 0 | None | -69 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 4 | 2 | 3 | 2.5 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL66322 | 201820 | 0 | None | -69 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 352 | 4 | 2 | 3 | 2.5 | NCC1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44378888 | 56551 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 590 | 6 | 0 | 8 | 4.3 | Cc1cccnc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| CHEMBL164385 | 56551 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 590 | 6 | 0 | 8 | 4.3 | Cc1cccnc1C(=O)N1CCC(N2CCN([C@@H](C)c3ccc(S(=O)(=O)c4ccc5c(c4)OCO5)cc3)[C@H](C)C2)CC1 | 10.1016/s0960-894x(02)00024-0 | ||
| 44593626 | 187270 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL496306 | 187270 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL539121 | 187270 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 4212 | 197002 | 75 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL1417019 | 197002 | 75 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| CHEMBL58 | 197002 | 75 | None | 1 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | nan | ||
| 75201901 | 165872 | 14 | None | -575 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4277264 | 165872 | 14 | None | -575 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 356 | 3 | 0 | 6 | 4.9 | Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 71720489 | 86531 | 0 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 2.0 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323447 | 86531 | 0 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 303 | 3 | 0 | 5 | 2.0 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 11588241 | 155198 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2092735 | 155198 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL405612 | 155198 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| 45266385 | 193820 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL553241 | 193820 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 7047822 | 176262 | 12 | None | -3 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| CHEMBL461088 | 176262 | 12 | None | -3 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 137 | 1 | 1 | 2 | 1.7 | c1coc([C@H]2CCCN2)c1 | 10.1021/jm800145d | ||
| 10026270 | 93681 | 0 | None | -18 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 440 | 6 | 2 | 3 | 4.5 | O=C(N[C@H]1[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL249206 | 93681 | 0 | None | -18 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 440 | 6 | 2 | 3 | 4.5 | O=C(N[C@H]1[C@@H]2CN(Cc3ccc4ccccc4c3)C[C@@H]21)C(O)(c1ccccc1)C1CCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 44295668 | 188368 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 4.0 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4N)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL50822 | 188368 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 6 | 2 | 4 | 4.0 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccccc4N)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 10336644 | 161124 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 328 | 3 | 1 | 3 | 3.4 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 | 10.1021/jm970333f | ||
| CHEMBL41313 | 161124 | 0 | None | - | 1 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 328 | 3 | 1 | 3 | 3.4 | C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN1CCCCC1 | 10.1021/jm970333f | ||
| 14956860 | 13590 | 1 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 212 | 1 | 0 | 4 | 0.5 | CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL1194903 | 13590 | 1 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 212 | 1 | 0 | 4 | 0.5 | CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL553520 | 13590 | 1 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 212 | 1 | 0 | 4 | 0.5 | CCN1C(=O)OC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| 44406480 | 72499 | 0 | None | -5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| CHEMBL200210 | 72499 | 0 | None | -5 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 348 | 3 | 1 | 4 | 2.4 | COC1(C#CC(O)(c2ccccc2)c2ccccn2)CN2CCC1CC2 | 10.1016/j.bmcl.2005.09.079 | ||
| 10834711 | 120896 | 0 | None | -21 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 6 | 2 | 4 | 3.9 | O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL358193 | 120896 | 0 | None | -21 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 398 | 6 | 2 | 4 | 3.9 | O=C(NC1CCN(Cc2ccsc2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 155551903 | 175883 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4569929 | 175883 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4596435 | 175883 | 0 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 462 | 8 | 2 | 4 | 4.3 | CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 118719931 | 115285 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| CHEMBL3354078 | 115285 | 0 | None | -2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 669 | 18 | 0 | 4 | 8.7 | O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)CC1 | 10.1021/jm501173q | ||
| 44319339 | 204191 | 0 | None | -44 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 4.7 | O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL83982 | 204191 | 0 | None | -44 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 4.7 | O=C(c1ccccc1)N(c1ccc(O)cc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 137631026 | 160603 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4093215 | 160603 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4117321 | 160603 | 0 | None | -2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 230 | 1 | 0 | 1 | 3.0 | C[N+](C)(C)C1CCc2ccc3ccoc3c2C1 | 10.1021/acs.jmedchem.7b01113 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00075a032 | ||
| 12310489 | 206653 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| CHEMBL99618 | 206653 | 0 | None | 1 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/[C@@H]3CCC[C@@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00566-8 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00403-G | ||
| 137640201 | 156419 | 2 | None | -630 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| CHEMBL4072818 | 156419 | 2 | None | -630 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 362 | 6 | 0 | 2 | 4.3 | O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1 | 10.1021/acs.jmedchem.8b00265 | ||
| 42853213 | 103865 | 4 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 4.6 | O=C(c1ccco1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL310016 | 103865 | 4 | None | -7 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 360 | 5 | 0 | 3 | 4.6 | O=C(c1ccco1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 2396803 | 204406 | 4 | None | -10 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 398 | 7 | 0 | 2 | 5.3 | O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| CHEMBL85950 | 204406 | 4 | None | -10 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 398 | 7 | 0 | 2 | 5.3 | O=C(CCc1ccccc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 | 10.1016/s0960-894x(02)00487-0 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1016/0960-894X(95)00113-8 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 10.1021/jm00046a021 | ||
| 9818955 | 9253 | 1 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| CHEMBL111224 | 9253 | 1 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.0 | C[C@H]1CCC[C@H](/C=C/[C@@H]2[C@H]3CCCC[C@@H]3C[C@@H]3C(=O)OC[C@@H]32)N1C | 10.1016/s0960-894x(02)00695-9 | ||
| 2736067 | 87102 | 67 | None | -93 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | ||
| CHEMBL2335158 | 87102 | 67 | None | -93 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 230 | 1 | 1 | 2 | 2.4 | Clc1cc(Cl)cc(N2CCNCC2)c1 | 10.1021/jm400140q | ||
| 57326239 | 76829 | 0 | None | -5 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042551 | 76829 | 0 | None | -5 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078974 | 76829 | 0 | None | -5 | 5 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1COC[C@@H](C(c2ccccc2)c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 2551 | 782 | 23 | None | -8 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| 298 | 782 | 23 | None | -8 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| 488 | 782 | 23 | None | -8 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| CHEMBL965 | 782 | 23 | None | -8 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| DB00411 | 782 | 23 | None | -8 | 11 | Mouse | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 10.1021/jm00095a008 | ||
| 350 | 3500 | 4 | None | 26 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10.1016/s0960-894x(00)00438-8 | ||
| 9867750 | 3500 | 4 | None | 26 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL73341 | 3500 | 4 | None | 26 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10.1016/s0960-894x(00)00438-8 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 10.1016/j.bmcl.2006.11.058 | ||
| 164619081 | 187952 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4872720 | 187952 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028531 | 187952 | 0 | None | 4 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 718 | 18 | 8 | 9 | 1.9 | CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(=N)N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 118710668 | 120321 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3323283 | 120321 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3558234 | 120321 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 619 | 15 | 1 | 6 | 3.8 | C[N+](C)(CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10.1021/jm501173q | ||
| 118710664 | 120319 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323281 | 120319 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558231 | 120319 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 683 | 15 | 1 | 5 | 6.6 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 10963509 | 18310 | 1 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL127273 | 18310 | 1 | None | 1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 687 | 17 | 0 | 6 | 8.6 | COc1ccccc1CN1CCC(C2CCN(CCCCCCCCN3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 44267744 | 15274 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.0 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccc(F)cc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL12153 | 15274 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 6 | 0 | 3 | 7.0 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4cccc5ccc(F)cc45)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 11155732 | 10447 | 14 | None | -26 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL1169543 | 10447 | 14 | None | -26 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 362 | 2 | 0 | 3 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 10104167 | 2028 | 1 | None | 13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 6937 | 2028 | 1 | None | 13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| CHEMBL3121473 | 2028 | 1 | None | 13 | 4 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 197 | 2 | 0 | 3 | 0.4 | C[N+](CC#CCOC1=NOCC1)(C)C | 10.1021/jm500790x | ||
| 44431386 | 148493 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL394255 | 148493 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 16125587 | 84339 | 0 | None | -5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 456 | 8 | 1 | 2 | 4.6 | C[N+]1(CCCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL223028 | 84339 | 0 | None | -5 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 456 | 8 | 1 | 2 | 4.6 | C[N+]1(CCCOc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 118710670 | 120320 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3323284 | 120320 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| CHEMBL3558233 | 120320 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 697 | 15 | 1 | 6 | 5.5 | CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 | 10.1021/jm500790x | ||
| 55005 | 104296 | 7 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| CHEMBL310852 | 104296 | 7 | None | -1 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 208 | 2 | 0 | 2 | 1.0 | CC(=O)N(C)C(C)C#CCN1CCCC1 | 10.1021/jm00075a007 | ||
| 14964496 | 8876 | 0 | None | 1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL109815 | 8876 | 0 | None | 1 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | CC1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL69452 | 202276 | 0 | None | 2 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 331 | 6 | 1 | 5 | 2.7 | CCO/C(O)=C1\CN2CC(CCC2COCc2ccccc2)C1=O | 10.1021/jm020572p | ||
| 11718536 | 137320 | 0 | None | -41 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 5 | 1 | 2 | 4.6 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL376000 | 137320 | 0 | None | -41 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 411 | 5 | 1 | 2 | 4.6 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 574784 | 103120 | 2 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 2.0 | CCN1C(=O)c2ccccc2N(C(=O)CN2CCN(C)CC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| CHEMBL308650 | 103120 | 2 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 379 | 3 | 0 | 5 | 2.0 | CCN1C(=O)c2ccccc2N(C(=O)CN2CCN(C)CC2)c2ncccc21 | 10.1021/jm00111a032 | ||
| 10354968 | 12964 | 1 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)cnn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL1190173 | 12964 | 1 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)cnn2)CC1 | 10.1021/jm9705418 | ||
| CHEMBL540310 | 12964 | 1 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 254 | 2 | 0 | 4 | 1.9 | CN1CCN(c2cc(-c3ccccc3)cnn2)CC1 | 10.1021/jm9705418 | ||
| 107867 | 2927 | 48 | None | 2 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| 309 | 2927 | 48 | None | 2 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| CHEMBL17045 | 2927 | 48 | None | 2 | 10 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 10.1021/jm301774u | ||
| 164614830 | 187916 | 0 | None | 46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4858774 | 187916 | 0 | None | 46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028275 | 187916 | 0 | None | 46 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 889 | 20 | 10 | 13 | -1.7 | CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 130442572 | 171342 | 0 | None | -173 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| CHEMBL4469848 | 171342 | 0 | None | -173 | 24 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 395 | 3 | 0 | 5 | 6.0 | FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12 | 10.1021/acs.jmedchem.9b00351 | ||
| 10365534 | 154421 | 0 | None | -18 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 7 | 2 | 3 | 4.0 | Cc1ccc(CCN2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1C | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL401154 | 154421 | 0 | None | -18 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 432 | 7 | 2 | 3 | 4.0 | Cc1ccc(CCN2C[C@H]3[C@H](NC(=O)C(O)(c4ccccc4)C4CCCC4)[C@H]3C2)cc1C | 10.1016/j.bmcl.2007.06.081 | ||
| 11530307 | 77939 | 0 | None | 1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2093082 | 77939 | 0 | None | 1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2109993 | 77939 | 0 | None | 1 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 45266386 | 193247 | 0 | None | 1 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL541424 | 193247 | 0 | None | 1 | 3 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 44286173 | 143954 | 0 | None | 3 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 194 | 3 | 0 | 2 | 0.6 | CCN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL39068 | 143954 | 0 | None | 3 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 194 | 3 | 0 | 2 | 0.6 | CCN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 16125223 | 168333 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 397 | 5 | 1 | 2 | 4.2 | O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm061159a | ||
| CHEMBL438427 | 168333 | 0 | None | -6 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 397 | 5 | 1 | 2 | 4.2 | O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccccc2)C1 | 10.1021/jm061159a | ||
| 44308900 | 202298 | 0 | None | -85 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 1.4 | NCCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| CHEMBL69582 | 202298 | 0 | None | -85 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 367 | 5 | 2 | 4 | 1.4 | NCCN1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1 | 10.1016/s0960-894x(03)00350-0 | ||
| 44318929 | 106379 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL314493 | 106379 | 0 | None | -2 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL5092328 | 213585 | 3 | None | -6 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CCS(=O)(=O)[C@]1(C)CC[C@@](CF)(c2cc(NC(=O)c3cc4c(cn3)OC(F)(F)O4)ccc2F)N=C1N | 10.1021/acs.jmedchem.1c00935 | ||||
| 3236 | 67267 | 40 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | nan | ||
| CHEMBL1902981 | 67267 | 40 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | nan | ||
| 36381 | 12833 | 5 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL1189234 | 12833 | 5 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmcl.2012.08.046 | ||
| 36381 | 12833 | 5 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL1189234 | 12833 | 5 | None | -2 | 6 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 265 | 2 | 1 | 2 | 1.9 | OC12C3C4CC5C6C4C1C6C(C53)N2Cc1ccccc1 | 10.1016/j.bmc.2013.07.045 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00087a008 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00087a008 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/jm00087a008 | ||
| 15050954 | 202305 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 524 | 6 | 1 | 7 | 2.6 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL69620 | 202305 | 0 | None | 2 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 524 | 6 | 1 | 7 | 2.6 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 71718048 | 86527 | 0 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 348 | 4 | 0 | 7 | 1.9 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323443 | 86527 | 0 | None | -1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 348 | 4 | 0 | 7 | 1.9 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 9948957 | 202787 | 1 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 11 | 0 | 3 | 3.9 | CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL72506 | 202787 | 1 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 319 | 11 | 0 | 3 | 3.9 | CCN(CC)CCOCCOCC1(c2ccccc2)CCCC1 | 10.1021/jm00041a006 | ||
| 118719924 | 115278 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354071 | 115278 | 0 | None | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 649 | 20 | 0 | 7 | 8.4 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 44593624 | 187546 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498357 | 187546 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL554916 | 187546 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 9842753 | 200127 | 0 | None | -24 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@@H](O)c2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| CHEMBL606963 | 200127 | 0 | None | -24 | 3 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 378 | 2 | 1 | 4 | 3.4 | O=C(O[C@H]1CN2CCC1CC2)N1C[C@@H](O)c2ccccc2[C@@H]1c1ccccc1 | 10.1021/jm050099q | ||
| 10101246 | 9455 | 0 | None | -81 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| CHEMBL112297 | 9455 | 0 | None | -81 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 701 | 34 | 2 | 6 | 10.1 | CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1 | 10.1016/s0960-894x(99)00604-6 | ||
| 44299564 | 197409 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL58824 | 197409 | 0 | None | -1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@H]3[C@H](/C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 11759379 | 120264 | 0 | None | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL355392 | 120264 | 0 | None | 2 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 332 | 5 | 0 | 2 | 5.1 | CC(C1=C(CCN2CCCCC2)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 10.1021/acs.jmedchem.9b02172 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 123603 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 2684 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 584 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 9658 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| CHEMBL168815 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 10.1016/j.bmcl.2014.06.020 | ||
| 2801 | 161325 | 56 | None | -2 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL1200710 | 161325 | 56 | None | -2 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| CHEMBL415 | 161325 | 56 | None | -2 | 28 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | nan | ||
| 10574041 | 39583 | 0 | None | -281 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 418 | 6 | 2 | 4 | 3.7 | O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL147695 | 39583 | 0 | None | -281 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 418 | 6 | 2 | 4 | 3.7 | O=C(NC1CCN(Cc2ccoc2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 | 10.1021/jm0003135 | ||
| CHEMBL308924 | 103311 | 0 | None | -2 | 2 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 268 | 4 | 1 | 5 | 1.0 | CCO/C(O)=C1\CN2CC(CCC2CN(C)C)C1=O | 10.1021/jm020572p | ||
| 71716225 | 86529 | 0 | None | 1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 317 | 4 | 0 | 5 | 1.9 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)Cc3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323445 | 86529 | 0 | None | 1 | 2 | Rat | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 317 | 4 | 0 | 5 | 1.9 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)Cc3ccccc3)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 16125325 | 84150 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 3 | 1 | 1 | 2.8 | C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222090 | 84150 | 0 | None | -2 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 336 | 3 | 1 | 1 | 2.8 | C[N+]1(C)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 2229 | 460 | 17 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| 295 | 460 | 17 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| CHEMBL128365 | 460 | 17 | None | 1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 10.1021/jm0510878 | ||
| 44627956 | 13920 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL1197362 | 13920 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| CHEMBL568775 | 13920 | 0 | None | -1 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 354 | 4 | 1 | 2 | 5.0 | C[N+]1(C)CCC[C@@H]1c1ccc([C@@](O)(c2ccccc2)C2CCCCC2)o1 | 10.1021/jm901048j | ||
| 1687 | 103930 | 15 | None | -15 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL310310 | 103930 | 15 | None | -15 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| CHEMBL540034 | 103930 | 15 | None | -15 | 5 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 341 | 4 | 0 | 2 | 5.1 | CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 | 10.1021/jm00020a006 | ||
| 3072501 | 106785 | 6 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL316973 | 106785 | 6 | None | - | 1 | Mouse | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 380 | 10 | 1 | 8 | 3.5 | CN(C)Cc1ccc(CSCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 53390181 | 91839 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426675 | 91839 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 5 | 0 | 5 | 4.3 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5ncccn5)ccc42)C3)cc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 53390538 | 91845 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426681 | 91845 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 474 | 5 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN(C2CCc4cc(-c5nccs5)ccc42)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 44448421 | 12231 | 0 | None | -11 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL1185269 | 12231 | 0 | None | -11 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| CHEMBL403773 | 12231 | 0 | None | -11 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 616 | 13 | 2 | 4 | 7.8 | OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1 | 10.1016/j.bmcl.2008.03.061 | ||
| 156013387 | 177686 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4638935 | 177686 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650725 | 177686 | 0 | None | -1 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 326 | 5 | 0 | 2 | 3.3 | C[N+](C)(C)C[C@@H]1CO[C@@H](C(c2ccccc2)c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156012563 | 177673 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4637485 | 177673 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650635 | 177673 | 0 | None | -3 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 236 | 3 | 0 | 2 | 1.8 | C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)CO1 | 10.1021/acs.jmedchem.9b02100 | ||
| 156013998 | 177694 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(-c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4635148 | 177694 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(-c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| CHEMBL4650787 | 177694 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 312 | 4 | 0 | 2 | 3.5 | C[N+](C)(C)C[C@@H]1COC[C@H](c2ccc(-c3ccccc3)cc2)O1 | 10.1021/acs.jmedchem.9b02100 | ||
| 11672895 | 77452 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 0.6 | C[C@H]1O[C@@H]([C@@H]2CCCN2C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2092737 | 77452 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 0.6 | C[C@H]1O[C@@H]([C@@H]2CCCN2C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| 71452384 | 83383 | 0 | None | -4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| CHEMBL2205816 | 83383 | 0 | None | -4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmcl.2012.08.046 | ||
| 71452384 | 83383 | 0 | None | -4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2205816 | 83383 | 0 | None | -4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 280 | 3 | 1 | 3 | 1.4 | OC12C3C4CC5C6C4C1C6C(C53)N2CCc1ccccn1 | 10.1016/j.bmc.2013.07.045 | ||
| 44437295 | 11788 | 0 | None | 4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL1182472 | 11788 | 0 | None | 4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| CHEMBL239866 | 11788 | 0 | None | 4 | 5 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 222 | 2 | 0 | 4 | 1.2 | C(#CCN1CCCCC1)COC1=NOCC1 | 10.1016/j.bmc.2007.09.003 | ||
| 16125704 | 84241 | 0 | None | -54 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 6 | 1 | 3 | 4.4 | C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222450 | 84241 | 0 | None | -54 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 6 | 1 | 3 | 4.4 | C[N+]1(CC(=O)c2ccsc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 71720488 | 86525 | 0 | None | -13 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 3 | 0 | 5 | 2.7 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3Cl)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323441 | 86525 | 0 | None | -13 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 337 | 3 | 0 | 5 | 2.7 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3Cl)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 15050952 | 201802 | 0 | None | 1 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 507 | 9 | 3 | 7 | 1.0 | CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| CHEMBL66177 | 201802 | 0 | None | 1 | 3 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 507 | 9 | 3 | 7 | 1.0 | CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 | 10.1021/jm00111a032 | ||
| 16125531 | 83938 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 5 | 1 | 1 | 4.4 | C[N+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL221775 | 83938 | 0 | None | -3 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 5 | 1 | 1 | 4.4 | C[N+]1(Cc2ccccc2)CC[C@@H](N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 73355416 | 92105 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 1.8 | CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| CHEMBL2432043 | 92105 | 0 | None | -1 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 280 | 3 | 0 | 3 | 1.8 | CN(Cc1cccnc1)[C@H]1C2C3CC4C2C(=O)C2C4C3C21 | 10.1016/j.bmc.2013.07.045 | ||
| 15050955 | 102125 | 0 | None | 1 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 7 | 3.0 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| CHEMBL304112 | 102125 | 0 | None | 1 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 7 | 3.0 | O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2)c2ccccc21 | 10.1021/jm00111a032 | ||
| 164622017 | 187973 | 0 | None | 47 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL4871563 | 187973 | 0 | None | 47 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| CHEMBL5028681 | 187973 | 0 | None | 47 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 917 | 22 | 10 | 13 | -0.9 | CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1 | 10.1016/j.ejmech.2021.113159 | ||
| 109014373 | 179222 | 1 | None | 3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4744856 | 179222 | 1 | None | 3 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 286 | 3 | 0 | 2 | 3.1 | CC1CCN(C(=O)CCN2CCCc3ccccc32)CC1 | 10.1016/j.bmcl.2020.127632 | ||
| 118719923 | 115277 | 0 | None | -13 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| CHEMBL3354070 | 115277 | 0 | None | -13 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 621 | 18 | 0 | 7 | 7.6 | CN1CCC=C(c2nsnc2OCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1 | 10.1021/jm501173q | ||
| 14964498 | 13774 | 0 | None | 6 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119615 | 13774 | 0 | None | 6 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 11694119 | 114988 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 0.6 | C[C@@H]1O[C@H]([C@@H]2CCCN2C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL3351105 | 114988 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 203 | 1 | 0 | 3 | 0.6 | C[C@@H]1O[C@H]([C@@H]2CCCN2C)C[S@+]1[O-] | 10.1021/jm0510878 | ||
| 46227417 | 14013 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198048 | 14013 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL593864 | 14013 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C | 10.1016/j.bmc.2009.10.027 | ||
| 44296096 | 101427 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 519 | 6 | 1 | 5 | 4.4 | Cc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL300845 | 101427 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 519 | 6 | 1 | 5 | 4.4 | Cc1ccccc1C(=O)N1CCC(N2CCC(C3(c4ccc(C(=O)NC(C)C)cc4)OCCO3)CC2)CC1 | 10.1016/j.bmcl.2004.01.033 | ||
| 44295763 | 188228 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 6 | 2 | 4 | 4.3 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)c1N | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL50618 | 188228 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 6 | 2 | 4 | 4.3 | Cc1cccc(C(=O)N2CCC(N3CCC(Cc4ccc(C(=O)NC(C)C)cc4)CC3)CC2)c1N | 10.1016/j.bmcl.2004.01.033 | ||
| 44296006 | 189139 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 6 | 1 | 3 | 5.8 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5c(F)cccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| CHEMBL51574 | 189139 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 6 | 1 | 3 | 5.8 | CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4ccc(F)c5c(F)cccc45)CC3)CC2)cc1 | 10.1016/j.bmcl.2004.01.033 | ||
| 15407072 | 56571 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 5 | 1 | 7 | 3.1 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCNCC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| CHEMBL164397 | 56571 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 5 | 1 | 7 | 3.1 | C[C@@H](c1ccc(S(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCN(C2CCNCC2)C[C@H]1C | 10.1016/s0960-894x(02)00023-9 | ||
| 9889312 | 78021 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| CHEMBL2111540 | 78021 | 0 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 437 | 6 | 0 | 5 | 4.4 | COc1ccc([S@@+]([O-])c2ccc(C(C#N)N3CCN(C4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(00)00438-8 | ||
| 44455198 | 97208 | 0 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | ||
| CHEMBL271108 | 97208 | 0 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1016/j.bmcl.2007.11.022 | ||
| 44455198 | 97208 | 0 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | ||
| CHEMBL271108 | 97208 | 0 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 899 | 22 | 3 | 7 | 10.3 | CC(C)N(CC[C@H](c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc(/C=C/C3=[N+]4C(=Cc5ccc(-c6cccs6)n5[B-]4(F)F)C=C3)cc2)ccc1O)C(C)C | 10.1021/acs.jmedchem.8b00041 | ||
| 44292834 | 100986 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 3.2 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(I)cc1 | 10.1021/jm00010a016 | ||
| CHEMBL297683 | 100986 | 0 | None | - | 1 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 463 | 4 | 1 | 4 | 3.2 | O=C(OC1CN2CCC1CC2)[C@](O)(c1ccccc1)c1ccc(I)cc1 | 10.1021/jm00010a016 | ||
| 44325003 | 111152 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 618 | 8 | 0 | 8 | 4.5 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| CHEMBL328550 | 111152 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 618 | 8 | 0 | 8 | 4.5 | CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc([S+]([O-])c5ccc6c(c5)OCO6)cc4)O[C@H](C)[C@@H](C)O3)CC2)CC1 | 10.1016/s0960-894x(00)00553-9 | ||
| 10865439 | 20425 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| CHEMBL130835 | 20425 | 0 | None | 1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 715 | 15 | 0 | 6 | 7.6 | COc1ccccc1CN1CCC(C2CCN(C(=O)CCCCCCC(=O)N3CCC(C4CCN(Cc5ccccc5OC)CC4)CC3)CC2)CC1 | 10.1021/jm0155594 | ||
| 140844398 | 175787 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCc3cccc(Br)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4470924 | 175787 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCc3cccc(Br)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| CHEMBL4595692 | 175787 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 534 | 8 | 1 | 3 | 5.5 | O=C(OC1C[N+]2(CCCc3cccc(Br)c3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 | 10.1016/j.bmc.2019.06.016 | ||
| 71128 | 96362 | 18 | None | -17 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00085a017 | ||
| CHEMBL26505 | 96362 | 18 | None | -17 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | 10.1021/jm00085a017 | ||
| 155543345 | 176112 | 0 | None | 6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4543584 | 176112 | 0 | None | 6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| CHEMBL4598362 | 176112 | 0 | None | 6 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 810 | 19 | 7 | 9 | 3.5 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc32)CC1 | 10.1021/acs.jmedchem.8b01967 | ||
| 101720828 | 96673 | 0 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 16147087 | 96673 | 0 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL1202002 | 96673 | 0 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| CHEMBL267643 | 96673 | 0 | None | 1 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1375 | 31 | 4 | 16 | 12.2 | CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc21)CC(=O)N1c2ccccc2NC(=O)c2cccnc21 | 10.1021/jm981038d | ||
| 4841 | 67089 | 3 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1889399 | 67089 | 3 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| CHEMBL1909073 | 67089 | 3 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 368 | 7 | 1 | 3 | 3.5 | CC[N+]1(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCCCC1 | nan | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm301774u | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | 10.1021/jm301774u | ||
| 10302719 | 43262 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 5 | 0 | 4 | 6.3 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)(=O)C(C)C)cc1 | 10.1021/jm0255163 | ||
| CHEMBL150845 | 43262 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 5 | 0 | 4 | 6.3 | CC(=C1CCN(C2CCN(C(=O)c3ccc(F)c4ccccc34)CC2)CC1)c1ccc(S(=O)(=O)C(C)C)cc1 | 10.1021/jm0255163 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | nan | ||
| 118710662 | 120317 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323280 | 120317 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558229 | 120317 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 118710662 | 120317 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3323280 | 120317 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| CHEMBL3558229 | 120317 | 0 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 633 | 15 | 1 | 5 | 5.4 | CC(C)(CN1C(=O)c2ccccc2C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2 | 10.1021/jm500790x | ||
| 57326326 | 76825 | 0 | None | -7 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042553 | 76825 | 0 | None | -7 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078942 | 76825 | 0 | None | -7 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 57326326 | 76825 | 0 | None | -7 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2042553 | 76825 | 0 | None | -7 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2078942 | 76825 | 0 | None | -7 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 16125591 | 84274 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 455 | 6 | 2 | 2 | 3.8 | C[N+]1(CC(=O)Nc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL222634 | 84274 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 455 | 6 | 2 | 2 | 3.8 | C[N+]1(CC(=O)Nc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 14964494 | 11852 | 1 | None | 2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL118292 | 11852 | 1 | None | 2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 220 | 2 | 0 | 2 | 1.0 | C[C@@H]1CCN(CC#CCN2CCCC2)C1=O | 10.1021/jm00075a007 | ||
| 155672 | 4968 | 5 | None | 7 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL105198 | 4968 | 5 | None | 7 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| CHEMBL56734 | 4968 | 5 | None | 7 | 3 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 172 | 2 | 0 | 2 | 0.4 | C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O | 10.1021/jm00088a029 | ||
| 44431367 | 87554 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| CHEMBL234252 | 87554 | 0 | None | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | 10.1016/j.bmcl.2006.11.058 | ||
| 44318766 | 204037 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| CHEMBL82754 | 204037 | 0 | None | -4 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 237 | 2 | 1 | 3 | 2.4 | O=C(OC1CC2CCCC1N2)C1CCCCC1 | 10.1021/jm9904001 | ||
| 16124710 | 84761 | 0 | None | -54 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 412 | 5 | 0 | 3 | 5.0 | O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL225387 | 84761 | 0 | None | -54 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 412 | 5 | 0 | 3 | 5.0 | O=C1OC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 60138186 | 120323 | 0 | None | 23 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 60138193 | 120323 | 0 | None | 23 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3323288 | 120323 | 0 | None | 23 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| CHEMBL3558240 | 120323 | 0 | None | 23 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 325 | 9 | 0 | 3 | 2.1 | C[N+](C)(C)CCCCCC[N+](C)(C)CC#CCOC1=NOCC1 | 10.1021/jm500790x | ||
| 11504244 | 106037 | 0 | None | 199 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 60138185 | 106037 | 0 | None | 199 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3121474 | 106037 | 0 | None | 199 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| CHEMBL3140249 | 106037 | 0 | None | 199 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 498 | 13 | 0 | 5 | 3.1 | C[N+](C)(CC#CCOC1=NOCC1)CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O | 10.1021/jm500790x | ||
| 303 | 2930 | 16 | None | 1 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 4629 | 2930 | 16 | None | 1 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 8595 | 2930 | 16 | None | 1 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| CHEMBL44674 | 2930 | 16 | None | 1 | 6 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 10.1021/jm00075a007 | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 11024241 | 119795 | 0 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| CHEMBL352723 | 119795 | 0 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 338 | 6 | 0 | 3 | 4.9 | CSc1ccc2c(c1)C(C(C)c1ccccn1)=C(CCN(C)C)C2 | 10.1021/jm020895l | ||
| 73346227 | 91837 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| CHEMBL2426673 | 91837 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 485 | 7 | 0 | 6 | 4.4 | COc1ccc(CC(=O)N2CCC3(CC2)CN([C@H](c2ccc(-c4ncccn4)cc2)C(C)C)C3)nc1 | 10.1016/j.bmcl.2013.07.044 | ||
| 162353382 | 181152 | 0 | None | 4 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4777127 | 181152 | 0 | None | 4 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 330 | 4 | 1 | 2 | 4.6 | O=C(CCN1CCCc2ccccc21)Nc1cccc2ccccc12 | 10.1016/j.bmcl.2020.127632 | ||
| 44274417 | 98437 | 0 | None | 2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| CHEMBL279225 | 98437 | 0 | None | 2 | 5 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 333 | 5 | 0 | 3 | 3.0 | CN(C)CCN(C)C(=O)C1=C/C(=C\c2ccccn2)c2ccccc21 | 10.1016/s0960-894x(01)00186-x | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 170332 | 160429 | 1 | None | 3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4091934 | 160429 | 1 | None | 3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4115997 | 160429 | 1 | None | 3 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 4 | 0 | 1 | 1.9 | COc1cccc(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 3158 | 55974 | 21 | None | -630 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| CHEMBL1628227 | 55974 | 21 | None | -630 | 20 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 279 | 3 | 0 | 2 | 4.0 | CN(C)CCC=C1c2ccccc2COc2ccccc21 | nan | ||
| 44318929 | 106379 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| CHEMBL314493 | 106379 | 0 | None | -2 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 315 | 2 | 0 | 4 | 3.1 | CN1C2CCCC1C(OC(=O)OCC(Cl)(Cl)Cl)C2 | 10.1021/jm9904001 | ||
| 10105880 | 37218 | 0 | None | -5 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 244 | 1 | 1 | 4 | 1.7 | OC1(c2nc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL145533 | 37218 | 0 | None | -5 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 244 | 1 | 1 | 4 | 1.7 | OC1(c2nc3ccccc3o2)CN2CCC1CC2 | 10.1021/jm00003a011 | ||
| 137628800 | 160447 | 0 | None | -1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 4 | 0 | 1 | 2.8 | C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4089027 | 160447 | 0 | None | -1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 4 | 0 | 1 | 2.8 | C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116151 | 160447 | 0 | None | -1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 248 | 4 | 0 | 1 | 2.8 | C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 44267699 | 13563 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 5.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| CHEMBL11947 | 13563 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 426 | 6 | 0 | 4 | 5.3 | CC(C)Sc1ccc(CC2CCN(C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 | 10.1016/s0960-894x(02)00096-3 | ||
| 199230 | 162585 | 18 | None | 37 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| CHEMBL41779 | 162585 | 18 | None | 37 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 180 | 2 | 0 | 2 | 0.2 | CN(C)CC#CCN1CCCC1=O | 10.1021/jm00087a008 | ||
| 16125509 | 168776 | 0 | None | -69 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 1 | 3 | 4.7 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccs2)CC1 | 10.1021/jm061159a | ||
| CHEMBL441873 | 168776 | 0 | None | -69 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 1 | 3 | 4.7 | O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccs2)CC1 | 10.1021/jm061159a | ||
| 11501540 | 133080 | 0 | None | -16 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| CHEMBL371293 | 133080 | 0 | None | -16 | 3 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 368 | 2 | 0 | 4 | 3.9 | O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 | 10.1021/jm050099q | ||
| 137628788 | 160445 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CC([N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4085150 | 160445 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CC([N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116149 | 160445 | 0 | None | 1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 220 | 2 | 0 | 1 | 2.3 | COc1cccc2c1CC([N+](C)(C)C)CC2 | 10.1021/acs.jmedchem.7b01113 | ||
| 10670961 | 40391 | 0 | None | -66 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1 | 10.1021/jm0003135 | ||
| CHEMBL148404 | 40391 | 0 | None | -66 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 444 | 6 | 3 | 5 | 3.1 | Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)nc1 | 10.1021/jm0003135 | ||
| 14964498 | 13774 | 0 | None | 6 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| CHEMBL119615 | 13774 | 0 | None | 6 | 2 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 194 | 2 | 0 | 2 | 0.4 | C[C@@H]1CCN(CC#CCN(C)C)C1=O | 10.1021/jm00075a007 | ||
| 191 | 399 | 92 | None | -56 | 28 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 201 | 399 | 92 | None | -56 | 28 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 2170 | 399 | 92 | None | -56 | 28 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| CHEMBL1113 | 399 | 92 | None | -56 | 28 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| DB00543 | 399 | 92 | None | -56 | 28 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | nan | ||
| 44275807 | 98513 | 0 | None | -851 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| CHEMBL27979 | 98513 | 0 | None | -851 | 10 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 422 | 7 | 0 | 4 | 4.5 | C[C@H]1CC[C@H](C)N1CCCOc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1 | 10.1016/s0960-894x(03)00118-5 | ||
| 11653112 | 77930 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2092820 | 77930 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| CHEMBL2109828 | 77930 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)C[S@@+]1[O-] | 10.1021/jm0510878 | ||
| 45266386 | 193247 | 0 | None | 1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| CHEMBL541424 | 193247 | 0 | None | 1 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 218 | 1 | 0 | 2 | 0.7 | C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)C[S+]1[O-] | 10.1016/j.bmc.2007.12.036 | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 10.1021/acs.jmedchem.9b02172 | ||
| 11110049 | 57932 | 0 | None | -2 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| CHEMBL168223 | 57932 | 0 | None | -2 | 4 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 321 | 6 | 1 | 3 | 2.3 | CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 | 10.1021/jm020895l | ||
| 13773340 | 79180 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| CHEMBL2114396 | 79180 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 275 | 3 | 1 | 4 | 1.5 | C[C@](O)(C(=O)O[C@@H]1CN2CCC1CC2)c1ccccc1 | 10.1021/jm00402a035 | ||
| 3823 | 49951 | 38 | None | -44 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 76973198 | 49951 | 38 | None | -44 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| CHEMBL157101 | 49951 | 38 | None | -44 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | nan | ||
| 16086005 | 138701 | 0 | None | -77 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| CHEMBL378859 | 138701 | 0 | None | -77 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 724 | 10 | 3 | 5 | 5.8 | O=C(NCCC1CCNCC1)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 | 10.1021/jm051205r | ||
| 16125646 | 136447 | 0 | None | -50 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 476 | 6 | 1 | 2 | 4.3 | C[N+]1(CC(=O)c2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| CHEMBL374513 | 136447 | 0 | None | -50 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 476 | 6 | 1 | 2 | 4.3 | C[N+]1(CC(=O)c2ccccc2)CC[C@@H](N2CC(c3ccc(F)cc3)(c3ccc(F)cc3)NC2=O)C1 | 10.1021/jm061160+ | ||
| 10598540 | 38094 | 0 | None | -134 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 6 | 2 | 3 | 5.0 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| CHEMBL146291 | 38094 | 0 | None | -134 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 426 | 6 | 2 | 3 | 5.0 | O=C(NC1CCN(CC2CCCCCCC2)CC1)C(O)(c1ccccc1)C1CCCC1 | 10.1021/jm0003135 | ||
| 44443722 | 154381 | 0 | None | -29 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 6 | 2 | 3 | 3.7 | O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| CHEMBL400953 | 154381 | 0 | None | -29 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 404 | 6 | 2 | 3 | 3.7 | O=C(N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21)C(O)(c1ccccc1)C1CCCCC1 | 10.1016/j.bmcl.2007.06.081 | ||
| 10360219 | 101540 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| CHEMBL301670 | 101540 | 0 | None | 1 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[C@@H](/C=C/[C@H]3CCC[C@H](C)N3C)[C@H]12 | 10.1016/s0960-894x(02)00315-3 | ||
| 57326325 | 76831 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2042554 | 76831 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| CHEMBL2078987 | 76831 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1021/jm2013216 | ||
| 44593624 | 187546 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL498357 | 187546 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| CHEMBL554916 | 187546 | 0 | None | -1 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | C[N+]1(C)CCC[C@@H]1[C@@H]1C[S+]([O-])[C@](c2ccccc2)(C2CCCCC2)O1 | 10.1016/j.bmc.2008.04.013 | ||
| 57326325 | 76831 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2042554 | 76831 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL2078987 | 76831 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 297 | 4 | 0 | 3 | 2.9 | CN(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 145960592 | 160814 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| CHEMBL4126071 | 160814 | 0 | None | -2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 393 | 4 | 0 | 5 | 3.0 | O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(c2ccccc2)(c2ccccc2)O1 | 10.1016/j.ejmech.2017.06.004 | ||
| 17621 | 60273 | 1 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 2.8 | CCN(CC)CC#CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| CHEMBL176012 | 60273 | 1 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 2.8 | CCN(CC)CC#CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O | 10.1016/S0960-894X(97)00143-1 | ||
| 3072504 | 5735 | 7 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| CHEMBL107892 | 5735 | 7 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 395 | 10 | 2 | 9 | 3.1 | CN(C)Cc1ccc(CSCCNc2cc(N)c([N+](=O)[O-])cc2[N+](=O)[O-])o1 | 10.1021/jm00095a008 | ||
| 71718668 | 86372 | 0 | None | -1 | 2 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 337 | 3 | 0 | 5 | 2.7 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3Cl)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2321893 | 86372 | 0 | None | -1 | 2 | Rat | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 337 | 3 | 0 | 5 | 2.7 | CC(=O)O[C@@H]1C[C@@H]2C[C@H](OC(=O)c3ccccc3Cl)C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 300 | 2474 | 13 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| 4141 | 2474 | 13 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| CHEMBL92387 | 2474 | 13 | None | 1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 10.1021/jm800145d | ||
| 2904292 | 182998 | 13 | None | - | 1 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 306 | 2 | 0 | 3 | 4.3 | CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4800495 | 182998 | 13 | None | - | 1 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 306 | 2 | 0 | 3 | 4.3 | CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc21 | 10.1016/j.bmcl.2020.127632 | ||
| 46227459 | 14020 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL1198076 | 14020 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| CHEMBL594802 | 14020 | 0 | None | -1 | 2 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 188 | 2 | 0 | 2 | 0.9 | CC1(C)CO[C@H](C[N+](C)(C)C)CO1 | 10.1016/j.bmc.2009.10.027 | ||
| 16125681 | 84344 | 0 | None | -141 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.6 | O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1 | 10.1021/jm061159a | ||
| CHEMBL223079 | 84344 | 0 | None | -141 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.6 | O=C1NC(c2ccc(F)cc2)(c2ccc(F)cc2)CN1C1CCN(Cc2cccc(Cl)c2)CC1 | 10.1021/jm061159a | ||
| 10243426 | 121402 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2csc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL359027 | 121402 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 241 | 1 | 0 | 2 | 4.0 | C1=C(c2csc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 16125374 | 84308 | 0 | None | -36 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 423 | 5 | 1 | 4 | 4.7 | O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| CHEMBL222860 | 84308 | 0 | None | -36 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 423 | 5 | 1 | 4 | 4.7 | O=C1NC(c2cccs2)(c2cccs2)CN1C1CCN(Cc2ccccc2)CC1 | 10.1021/jm061159a | ||
| 15050948 | 102344 | 0 | None | 1 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 7 | 3 | 7 | 1.8 | NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| CHEMBL305403 | 102344 | 0 | None | 1 | 4 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 513 | 7 | 3 | 7 | 1.8 | NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)CC2)cc1 | 10.1021/jm00111a032 | ||
| 10451634 | 202745 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 10 | 0 | 4 | 4.1 | CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| CHEMBL72219 | 202745 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 10 | 0 | 4 | 4.1 | CCN(CC)CCOCCOC(=O)C1(c2ccc(Cl)cc2)CCCC1 | 10.1021/jm00041a006 | ||
| 11808946 | 120124 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| CHEMBL354678 | 120124 | 0 | None | 2 | 5 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 306 | 6 | 0 | 2 | 4.5 | CCC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | 10.1021/jm020895l | ||
| 47358375 | 180180 | 1 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| CHEMBL4756164 | 180180 | 1 | None | 2 | 4 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 272 | 4 | 1 | 2 | 2.9 | O=C(CCN1CCCc2ccccc21)NC1CCCC1 | 10.1016/j.bmcl.2020.127632 | ||
| 87934 | 97630 | 23 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL273308 | 97630 | 23 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| CHEMBL542883 | 97630 | 23 | None | -2 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 210 | 1 | 0 | 3 | 0.5 | CCN1C(=O)CC2(CCN(C)CC2)C1=O | 10.1021/jm00068a005 | ||
| 21862266 | 141481 | 0 | None | -3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| CHEMBL38756 | 141481 | 0 | None | -3 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 183 | 0 | 0 | 3 | 0.8 | C[C@H]1OCC2(CN3CCC2CC3)O1 | 10.1021/jm00087a007 | ||
| 10468535 | 97677 | 1 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 273 | 0 | 0 | 1 | 4.2 | c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2 | 10.1016/S0960-894X(01)80824-6 | ||
| CHEMBL273586 | 97677 | 1 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 273 | 0 | 0 | 1 | 4.2 | c1ccc2c(c1)C(=C1CN3CCC1CC3)c1ccccc1-2 | 10.1016/S0960-894X(01)80824-6 | ||
| 14964513 | 11314 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL1180268 | 11314 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| CHEMBL119508 | 11314 | 0 | None | - | 1 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 209 | 2 | 0 | 1 | 0.6 | C[C@@H]1CC(=O)N(CC#CC[N+](C)(C)C)C1 | 10.1021/jm00075a007 | ||
| 289 | 240 | 6 | None | -89 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 9948320 | 240 | 6 | None | -89 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| CHEMBL1242950 | 240 | 6 | None | -89 | 14 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 301 | 8 | 0 | 2 | 4.9 | CCCCC1CCN(CC1)CCCC(=O)c1ccccc1C | 10.1021/jm100697g | ||
| 137628799 | 160446 | 0 | None | 7 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4064668 | 160446 | 0 | None | 7 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| CHEMBL4116150 | 160446 | 0 | None | 7 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 212 | 4 | 0 | 1 | 2.1 | COc1ccc(F)c(CC[N+](C)(C)C)c1 | 10.1021/acs.jmedchem.7b01113 | ||
| 2166 | 3074 | 46 | None | -269 | 8 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| 305 | 3074 | 46 | None | -269 | 8 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| 5910 | 3074 | 46 | None | -269 | 8 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| CHEMBL550 | 3074 | 46 | None | -269 | 8 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| DB01085 | 3074 | 46 | None | -269 | 8 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 10.1016/0960-894X(95)00301-9 | ||
| 71716836 | 86526 | 0 | None | -11 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 348 | 4 | 0 | 7 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| CHEMBL2323442 | 86526 | 0 | None | -11 | 3 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 348 | 4 | 0 | 7 | 1.9 | CC(=O)O[C@H]1C[C@@H]2C[C@@H](OC(=O)c3ccccc3[N+](=O)[O-])C[C@@H]1N2C | 10.1016/j.bmc.2012.12.052 | ||
| 68617 | 203816 | 60 | None | -32 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL1709 | 203816 | 60 | None | -32 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| CHEMBL809 | 203816 | 60 | None | -32 | 25 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | nan | ||
| 462571 | 118290 | 1 | None | -97 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 517 | 4 | 0 | 5 | 5.2 | Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| CHEMBL342137 | 118290 | 1 | None | -97 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 517 | 4 | 0 | 5 | 5.2 | Cc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1 | 10.1016/s0960-894x(02)00918-6 | ||
| 10466231 | 35846 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2coc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144385 | 35846 | 0 | None | -2 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 225 | 1 | 0 | 2 | 3.5 | C1=C(c2coc3ccccc23)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 10421689 | 35563 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 239 | 1 | 0 | 1 | 1.8 | C1=C(c2ccc[se]2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| CHEMBL144123 | 35563 | 0 | None | -2 | 2 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 239 | 1 | 0 | 1 | 1.8 | C1=C(c2ccc[se]2)C2CCN1CC2 | 10.1021/jm00003a011 | ||
| 1935 | 3677 | 92 | None | - | 6 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 2551 | 3677 | 92 | None | - | 6 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 6687 | 3677 | 92 | None | - | 6 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| CHEMBL95 | 3677 | 92 | None | - | 6 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| DB00382 | 3677 | 92 | None | - | 6 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 154059 | 3580 | 49 | None | -12 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 2457 | 3580 | 49 | None | -12 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 7483 | 3580 | 49 | None | -12 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| CHEMBL1734 | 3580 | 49 | None | -12 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| DB01591 | 3580 | 49 | None | -12 | 8 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 306 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 3536 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 53930639 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 9577995 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| CHEMBL134641 | 3400 | 18 | None | -8 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Binding | Drug Central | 193 | 2 | 0 | 4 | 0.9 | CO/N=C(/[C@H]1CN2CCC1CC2)\C#N | None | ||
| 2745 | 3800 | 39 | None | -46 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | None | -46 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | None | -46 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | None | -46 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | None | -46 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | None | -46 | 9 | Human | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 3652 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | None | - | 18 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 2824 | 3930 | 0 | None | -2 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 345 | 3930 | 0 | None | -2 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 71203 | 3930 | 0 | None | -2 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| CHEMBL1892145 | 3930 | 0 | None | -2 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| DB13793 | 3930 | 0 | None | -2 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | None | ||
| 92112 | 21505 | 14 | None | 1 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 | None | ||
| CHEMBL1318553 | 21505 | 14 | None | 1 | 4 | Human | 8.4 | pKd | = | 8.4 | Binding | Drug Central | 294 | 1 | 0 | 3 | 3.8 | CC[C@@]12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)[C@H]32 | None | ||
| 2360 | 3637 | 41 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 2484 | 3637 | 41 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 347 | 3637 | 41 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 441071 | 3637 | 41 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| CHEMBL227934 | 3637 | 41 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| DB15954 | 3637 | 41 | None | 1 | 5 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | None | ||
| 15376 | 3931 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 349 | 3931 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 3643 | 3931 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| CHEMBL1165342 | 3931 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| DB13374 | 3931 | 0 | None | -1 | 4 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | None | ||
| 21158560 | 112296 | 4 | None | -1 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| CHEMBL3305985 | 112296 | 4 | None | -1 | 4 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 666 | 6 | 2 | 4 | 5.5 | C=CC[N@@+]12CC[C@@]34c5ccccc5N5/C=C6/[C@H]7C[C@H]8[C@@]9(CC[N@@+]8(CC=C)C/C7=C/CO)c7ccccc7N(/C=C(/[C@@H](C[C@@H]31)/C(=C\CO)C2)[C@H]54)[C@@H]69 | None | ||
| 2381 | 656 | 43 | None | -15 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 656 | 43 | None | -15 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 656 | 43 | None | -15 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 656 | 43 | None | -15 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 656 | 43 | None | -15 | 9 | Human | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 11968014 | 12649 | 4 | None | -3 | 9 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| CHEMBL1187846 | 12649 | 4 | None | -3 | 9 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| 656598 | 216020 | 0 | None | 1 | 4 | Rat | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 304 | 4 | 1 | 3 | 2.1 | C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)[C@@H](CO)C1=CC=CC=C1 | None | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 23435542 | ||
| 23056 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| 23056 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 318 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| 318 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 3260 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| 3260 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| CHEMBL12980 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 3443095 | ||
| CHEMBL12980 | 112 | 26 | None | -1 | 7 | Human | 10.4 | pKd | = | 10.4 | Binding | Guide to Pharmacology | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | 7562472 | ||
| 11536903 | 2365 | 56 | None | -6 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 21989256 | ||
| 3262 | 2365 | 56 | None | -6 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 21989256 | ||
| CHEMBL3770346 | 2365 | 56 | None | -6 | 2 | Human | 4.4 | pKd | = | 4.4 | Binding | Guide to Pharmacology | 311 | 3 | 2 | 5 | 2.7 | COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 21989256 | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24256733 | ||
| 57664406 | 2366 | 46 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24807965 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24256733 | ||
| 6938 | 2366 | 46 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24807965 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24256733 | ||
| CHEMBL4089376 | 2366 | 46 | None | -1 | 2 | Human | 5.6 | pKd | = | 5.6 | Binding | Guide to Pharmacology | 437 | 5 | 2 | 7 | 1.9 | CN1CCN(CC1)C(=O)COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1 | 24807965 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 7651370 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.1 | pKd | = | 6.1 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 990587 | ||
| 341 | 337 | 0 | None | 5 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 12815174 | ||
| 341 | 337 | 0 | None | 5 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 17591774 | ||
| 341 | 337 | 0 | None | 5 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 9224827 | ||
| 5311001 | 337 | 0 | None | 5 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 12815174 | ||
| 5311001 | 337 | 0 | None | 5 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 17591774 | ||
| 5311001 | 337 | 0 | None | 5 | 4 | Human | 6.5 | pKd | = | 6.5 | Binding | Guide to Pharmacology | 666 | 6 | 2 | 4 | 5.5 | C=CC[N+]12CC[C@@]34[C@@H]2C[C@@H](C(=CCO)C1)C1=CN2c5ccccc5[C@]56[C@@H]2C(=CN([C@H]31)c1c4cccc1)[C@H]1C[C@@H]6[N+](CC1=CCO)(CC5)CC=C | 9224827 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 12815174 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 15163212 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 12815174 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 15163212 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 12815174 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 6.8 | pKd | = | 6.8 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 15163212 | ||
| 168057 | 1187 | 9 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | Guide to Pharmacology | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 17591774 | ||
| 168057 | 1187 | 9 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | Guide to Pharmacology | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 9890565 | ||
| 7634 | 1187 | 9 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | Guide to Pharmacology | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 17591774 | ||
| 7634 | 1187 | 9 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | Guide to Pharmacology | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 9890565 | ||
| CHEMBL28407 | 1187 | 9 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | Guide to Pharmacology | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 17591774 | ||
| CHEMBL28407 | 1187 | 9 | None | - | 1 | Human | 7.1 | pKd | = | 7.1 | Binding | Guide to Pharmacology | 562 | 16 | 0 | 4 | 4.5 | O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 9890565 | ||
| 2381 | 656 | 43 | None | -15 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 374 | 656 | 43 | None | -15 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 7128 | 656 | 43 | None | -15 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| CHEMBL1101 | 656 | 43 | None | -15 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| DB00810 | 656 | 43 | None | -15 | 9 | Human | 8.2 | pKd | = | 8.2 | Binding | Guide to Pharmacology | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | 1346637 | ||
| 10350027 | 1400 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 576 | 15 | 0 | 4 | 4.7 | Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C | 12815174 | ||
| 364 | 1400 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 576 | 15 | 0 | 4 | 4.7 | Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C | 12815174 | ||
| 365 | 1400 | 0 | None | - | 1 | Human | 8.5 | pKd | = | 8.5 | Binding | Guide to Pharmacology | 576 | 15 | 0 | 4 | 4.7 | Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C | 12815174 | ||
| 303 | 2930 | 16 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 6478115 | ||
| 4629 | 2930 | 16 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 6478115 | ||
| 8595 | 2930 | 16 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 6478115 | ||
| CHEMBL44674 | 2930 | 16 | None | -1 | 6 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 6478115 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 8.8 | pKd | = | 8.8 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 14722259 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1941609 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 29515448 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 9.0 | pKd | = | 9 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 32079174 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 11303071 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16369696 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 16675658 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7562472 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7651370 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 7687290 | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 9.6 | pKd | = | 9.6 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 9846649 | ||
| 21123938 | 724 | 0 | None | -1 | 5 | Human | 3.5 | pKd | None | 3.5 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 343 | 724 | 0 | None | -1 | 5 | Human | 3.5 | pKd | None | 3.5 | Binding | Guide to Pharmacology | 410 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N@@+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)[O-] | 9495826 | ||
| 348 | 3743 | 0 | None | -3 | 4 | Human | 3.9 | pKd | None | 3.9 | Binding | Guide to Pharmacology | 262 | 2 | 1 | 6 | 1.9 | OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C | 14722259 | ||
| 66706 | 3743 | 0 | None | -3 | 4 | Human | 3.9 | pKd | None | 3.9 | Binding | Guide to Pharmacology | 262 | 2 | 1 | 6 | 1.9 | OCCc1sc2=Nc3c(Cn2c1C)cnc(n3)C | 14722259 | ||
| 2824 | 3930 | 0 | None | -2 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 345 | 3930 | 0 | None | -2 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 71203 | 3930 | 0 | None | -2 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| CHEMBL1892145 | 3930 | 0 | None | -2 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| DB13793 | 3930 | 0 | None | -2 | 4 | Human | 4.2 | pKd | None | 4.2 | Binding | Guide to Pharmacology | 294 | 1 | 0 | 3 | 3.8 | CC[C@]12CCCN3[C@@H]2c2n(C(=O)C1)c1c(c2CC3)cccc1 | 9224827 | ||
| 342 | 723 | 50 | None | -9 | 5 | Human | 4.3 | pKd | None | 4.3 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 442021 | 723 | 50 | None | -9 | 5 | Human | 4.3 | pKd | None | 4.3 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| CHEMBL501756 | 723 | 50 | None | -9 | 5 | Human | 4.3 | pKd | None | 4.3 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 342 | 723 | 50 | None | -9 | 5 | Human | 4.5 | pKd | None | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9224827 | ||
| 342 | 723 | 50 | None | -9 | 5 | Human | 4.5 | pKd | None | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 442021 | 723 | 50 | None | -9 | 5 | Human | 4.5 | pKd | None | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9224827 | ||
| 442021 | 723 | 50 | None | -9 | 5 | Human | 4.5 | pKd | None | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| CHEMBL501756 | 723 | 50 | None | -9 | 5 | Human | 4.5 | pKd | None | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9224827 | ||
| CHEMBL501756 | 723 | 50 | None | -9 | 5 | Human | 4.5 | pKd | None | 4.5 | Binding | Guide to Pharmacology | 394 | 2 | 0 | 5 | 2.1 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CCN2[C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2 | 9495826 | ||
| 344 | 2708 | 0 | None | 1 | 5 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| 44358908 | 2708 | 0 | None | 1 | 5 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| CHEMBL139677 | 2708 | 0 | None | 1 | 5 | Human | 4.6 | pKd | None | 4.6 | Binding | Guide to Pharmacology | 443 | 3 | 0 | 4 | 2.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)CCl | 9495826 | ||
| 332 | 2003 | 0 | None | 1 | 5 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| 44358893 | 2003 | 0 | None | 1 | 5 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| CHEMBL343796 | 2003 | 0 | None | 1 | 5 | Human | 4.8 | pKd | None | 4.8 | Binding | Guide to Pharmacology | 485 | 4 | 0 | 4 | 3.8 | COc1cc2c(cc1OC)N1[C@@H]3[C@@]42CC[N+]2([C@H]4C[C@@H]4[C@H]3[C@H](CC1=O)OCC=C4C2)Cc1ccccc1 | 9495826 | ||
| 2360 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 12815174 | ||
| 2360 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2360 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 2484 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 12815174 | ||
| 2484 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 2484 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 347 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 12815174 | ||
| 347 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 347 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 441071 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 12815174 | ||
| 441071 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| 441071 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| CHEMBL227934 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 12815174 | ||
| CHEMBL227934 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| CHEMBL227934 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| DB15954 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 12815174 | ||
| DB15954 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 7651370 | ||
| DB15954 | 3637 | 41 | None | 1 | 5 | Human | 5.0 | pKd | None | 5.0 | Binding | Guide to Pharmacology | 334 | 0 | 0 | 3 | 2.1 | O=C1C[C@@H]2OCC=C3[C@H]4[C@@H]2[C@@H]2N1c1ccccc1[C@]12CCN([C@H]1C4)C3 | 9224827 | ||
| 335 | 1806 | 0 | None | -6 | 4 | Human | 5.0 | pKd | None | 5 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| 3500 | 1806 | 0 | None | -6 | 4 | Human | 5.0 | pKd | None | 5 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| CHEMBL157822 | 1806 | 0 | None | -6 | 4 | Human | 5.0 | pKd | None | 5 | Binding | Guide to Pharmacology | 470 | 5 | 2 | 7 | 3.3 | COc1ccc2c(c1)c1c3c(=O)[nH]c(=O)c3c3c(c1n2CC(CN(C)C)O)n(C)c1c3cccc1 | 10860942 | ||
| 346 | 3633 | 0 | None | -6 | 3 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 44259 | 3633 | 0 | None | -6 | 3 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| CHEMBL388978 | 3633 | 0 | None | -6 | 3 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| DB02010 | 3633 | 0 | None | -6 | 3 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 466 | 2 | 2 | 6 | 4.4 | CN[C@@H]1C[C@H]2O[C@]([C@@H]1OC)(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O | 10860942 | ||
| 15376 | 3931 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 349 | 3931 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 3643 | 3931 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| CHEMBL1165342 | 3931 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| DB13374 | 3931 | 0 | None | -1 | 4 | Human | 5.1 | pKd | None | 5.1 | Binding | Guide to Pharmacology | 354 | 2 | 1 | 5 | 3.0 | COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3 | 9224827 | ||
| 15118529 | 4020 | 0 | None | -3 | 4 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| 340 | 4020 | 0 | None | -3 | 4 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| CHEMBL1256845 | 4020 | 0 | None | -3 | 4 | Human | 5.3 | pKd | None | 5.3 | Binding | Guide to Pharmacology | 437 | 0 | 1 | 4 | 5.4 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=Cc3c(C[C@]12C)cn1c(n3)nc2c1cccc2 | 12435818 | ||
| 108152 | 2171 | 0 | None | -1 | 2 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 495 | 2 | 0 | 7 | 4.7 | COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C | 10860942 | ||
| 338 | 2171 | 0 | None | -1 | 2 | Human | 5.7 | pKd | None | 5.7 | Binding | Guide to Pharmacology | 495 | 2 | 0 | 7 | 4.7 | COC(=O)[C@@]1(OC)C[C@H]2O[C@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CN(C1=O)C | 10860942 | ||
| 339 | 4018 | 0 | None | -1 | 4 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| 9803245 | 4018 | 0 | None | -1 | 4 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| CHEMBL2206331 | 4018 | 0 | None | -1 | 4 | Human | 5.9 | pKd | None | 5.9 | Binding | Guide to Pharmacology | 439 | 0 | 1 | 4 | 5.2 | C#C[C@]1(O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)Cc1cn3c(nc1C2)nc1c3cccc1 | 12435818 | ||
| 2784 | 939 | 0 | None | -1 | 3 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 351 | 939 | 0 | None | -1 | 3 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 366 | 939 | 0 | None | -1 | 3 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 676 | 939 | 0 | None | -1 | 3 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| CHEMBL620 | 939 | 0 | None | -1 | 3 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| DB00771 | 939 | 0 | None | -1 | 3 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 316 | 2793 | 14 | None | -3 | 9 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 2846274 | ||
| 317 | 2793 | 14 | None | -3 | 9 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 2846274 | ||
| 71183 | 2793 | 14 | None | -3 | 9 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 2846274 | ||
| CHEMBL3140030 | 2793 | 14 | None | -3 | 9 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 2846274 | ||
| CHEMBL376897 | 2793 | 14 | None | -3 | 9 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 2846274 | ||
| DB00462 | 2793 | 14 | None | -3 | 9 | Rat | 9.5 | pKd | None | 9.5 | Binding | Guide to Pharmacology | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 2846274 | ||
| 2784 | 939 | 0 | None | 1 | 3 | Human | 9.6 | pKd | None | 9.6 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 351 | 939 | 0 | None | 1 | 3 | Human | 9.6 | pKd | None | 9.6 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 366 | 939 | 0 | None | 1 | 3 | Human | 9.6 | pKd | None | 9.6 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 676 | 939 | 0 | None | 1 | 3 | Human | 9.6 | pKd | None | 9.6 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| CHEMBL620 | 939 | 0 | None | 1 | 3 | Human | 9.6 | pKd | None | 9.6 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| DB00771 | 939 | 0 | None | 1 | 3 | Human | 9.6 | pKd | None | 9.6 | Binding | Guide to Pharmacology | 352 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1C[N+]2(C)CCC1CC2 | 9454790 | ||
| 23056 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 318 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 3260 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| CHEMBL12980 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.5 | pKi | = | 10.5 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 23056 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.6 | pKi | = | 10.6 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 318 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.6 | pKi | = | 10.6 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 3260 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.6 | pKi | = | 10.6 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| CHEMBL12980 | 112 | 26 | 3H-QNB | -1 | 7 | Human | 10.6 | pKi | = | 10.6 | Binding | PDSP KiDatabase | 337 | 4 | 1 | 4 | 2.6 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CN2CCC1CC2 | None | ||
| 44431393 | 87596 | 0 | UNDEFINED | 1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | None | ||
| CHEMBL234440 | 87596 | 0 | UNDEFINED | 1 | 3 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 402 | 6 | 1 | 5 | 3.5 | CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1 | None | ||
| 1427 | 1982 | 50 | 3H-MQNB(-) | 1 | 26 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 1982 | 50 | 3H-MQNB(-) | 1 | 26 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 1982 | 50 | 3H-MQNB(-) | 1 | 26 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 1982 | 50 | 3H-MQNB(-) | 1 | 26 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 1982 | 50 | 3H-MQNB(-) | 1 | 26 | Human | 9.9 | pKi | = | 9.9 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 132947 | 3803 | 8 | 3H-NMS | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| 361 | 3803 | 8 | 3H-NMS | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| CHEMBL265256 | 3803 | 8 | 3H-NMS | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | PDSP KiDatabase | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | None | ||
| 325 | 2031 | 0 | 3H-NMS | -1 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 3746 | 2031 | 0 | 3H-NMS | -1 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 657308 | 2031 | 0 | 3H-NMS | -1 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| CHEMBL1615433 | 2031 | 0 | 3H-NMS | -1 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| DB00332 | 2031 | 0 | 3H-NMS | -1 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 187 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 131632304 | 214266 | 0 | 3H-QNB | -6 | 13 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 12057539 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 44431384 | 148328 | 0 | UNDEFINED | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | None | ||
| CHEMBL394137 | 148328 | 0 | UNDEFINED | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 384 | 6 | 1 | 4 | 4.0 | CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 | None | ||
| 12057539 | 206301 | 39 | 3H-PIRENZEPINE | -2 | 20 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-PIRENZEPINE | -2 | 20 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-PIRENZEPINE | -2 | 20 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-NMSP | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-QNB | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMSP | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-QNB | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMSP | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-QNB | -2 | 20 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -2 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -2 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -2 | 20 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-Arachidonic Acid | -2 | 20 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-Arachidonic Acid | -2 | 20 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-Arachidonic Acid | -2 | 20 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 24835791 | 214334 | 0 | 3H-MQNB(-) | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 362 | 4 | 1 | 3 | 3.3 | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 | None | ||
| 5831 | 214185 | 0 | 3H-QNB | -29 | 12 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 42470 | 214429 | 0 | 3H-NMS | -3 | 6 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 345 | 10 | 0 | 3 | 4.9 | CCN(CCCC(=O)C1CCCCC1)C(C)CC2=CC=C(C=C2)OC | None | ||
| 3246155 | 214183 | 0 | 3H-QNB | -6 | 16 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 131632304 | 214266 | 0 | 3H-NMS | -10 | 13 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 325 | 2031 | 0 | 3H-NMS | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 3746 | 2031 | 0 | 3H-NMS | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 657308 | 2031 | 0 | 3H-NMS | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| CHEMBL1615433 | 2031 | 0 | 3H-NMS | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| DB00332 | 2031 | 0 | 3H-NMS | -3 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | None | ||
| 12057539 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-QNB | -2 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-QNB | -2 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-NMS | -2 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-QNB | -2 | 20 | Human | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-MQNB(-) | -2 | 20 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 24835791 | 214334 | 0 | 3H-MQNB(-) | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 362 | 4 | 1 | 3 | 3.3 | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 | None | ||
| 12057539 | 206301 | 39 | 3H-QNB | -2 | 20 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | 3H-QNB | -2 | 20 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | 3H-QNB | -2 | 20 | Rat | 8.8 | pKi | = | 8.8 | Binding | PDSP KiDatabase | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 16721019 | 87558 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | None | ||
| CHEMBL234258 | 87558 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 362 | 7 | 2 | 5 | 2.5 | CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 | None | ||
| 44431389 | 145618 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | None | ||
| CHEMBL391977 | 145618 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 348 | 6 | 2 | 5 | 2.3 | CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 | None | ||
| 1734 | 116 | 8 | 3H-PIRENZEPINE | -12 | 12 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-PIRENZEPINE | -12 | 12 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-PIRENZEPINE | -12 | 12 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 135398737 | 944 | 89 | 3H-NMS | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-NMS | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-NMS | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-NMS | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-NMS | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -6 | 91 | Rat | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 154825138 | 214267 | 0 | 3H-4-DAMP | -1 | 12 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -1 | 12 | Human | 8.0 | pKi | = | 8 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 11434515 | 259 | 3 | None | -6 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 11519741 | 259 | 3 | None | -6 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 4484 | 259 | 3 | None | -6 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 7449 | 259 | 3 | None | -6 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| CHEMBL1194325 | 259 | 3 | None | -6 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| DB08897 | 259 | 3 | None | -6 | 5 | Human | 8.0 | pKi | = | 8 | Binding | Drug Central | 484 | 9 | 1 | 6 | 4.7 | O=C(C(c1cccs1)(c1cccs1)O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2 | None | ||
| 154825138 | 214267 | 0 | 3H-MQNB(-) | -1 | 12 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 2381 | 656 | 43 | 3H-NMS | -19 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 656 | 43 | 3H-NMS | -19 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 656 | 43 | 3H-NMS | -19 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 656 | 43 | 3H-NMS | -19 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 656 | 43 | 3H-NMS | -19 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 71202 | 214621 | 0 | 3H-NMS | -3 | 5 | Rat | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 340 | 3 | 0 | 3 | 4.9 | CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C | None | ||
| 202 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 60835 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 972 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| CHEMBL1175 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| DB00476 | 1480 | 0 | UNDEFINED | -9 | 31 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 297 | 6 | 1 | 3 | 4.6 | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2 | None | ||
| 5656 | 201377 | 82 | UNDEFINED | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201377 | 82 | UNDEFINED | -25 | 40 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 54841 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| CHEMBL641 | 201437 | 51 | UNDEFINED | -1 | 28 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 255 | 6 | 1 | 2 | 3.7 | CNCC[C@@H](Oc1ccccc1C)c1ccccc1 | None | ||
| 11957621 | 214268 | 0 | 3H-NMS | -12 | 10 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 11957621 | 214268 | 0 | 3H-NMS | -12 | 10 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 203 | 3 | 2 | 3 | 1.3 | COC1=C(C=CC(=C1)CCN)O.Cl | None | ||
| 3075702 | 215594 | 0 | 3H-AF-DX384 | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | ||
| 145 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 1832 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| CHEMBL7257 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| DB14010 | 140 | 48 | 3H-QNB | -1949 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 218 | 4 | 1 | 2 | 2.3 | COc1ccc2c(c1)c(CCN(C)C)c[nH]2 | None | ||
| 179 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 2159 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 963 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| CHEMBL243712 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| DB06288 | 396 | 107 | 3H-QNB | -4365 | 50 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 369 | 7 | 2 | 6 | 1.3 | CCN1CCCC1CNC(=O)c1cc(c(cc1OC)N)S(=O)(=O)CC | None | ||
| 141 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 6089 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| CHEMBL12420 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| DB01488 | 1399 | 32 | 3H-QNB | -114 | 21 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 188 | 3 | 1 | 1 | 2.3 | CN(CCc1c[nH]c2c1cccc2)C | None | ||
| 119376 | 1811 | 41 | 3H-NMS | -54954 | 26 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 1811 | 41 | 3H-NMS | -54954 | 26 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 1811 | 41 | 3H-NMS | -54954 | 26 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1588 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 28864 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 43 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| CHEMBL157138 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| DB00589 | 2294 | 24 | 3H-QNB | -41686 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 338 | 3 | 2 | 2 | 2.8 | CCN(C(=O)N[C@@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC | None | ||
| 290 | 2438 | 4 | 3H-MQNB(-) | -12 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 4022 | 2438 | 4 | 3H-MQNB(-) | -12 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 5926 | 2438 | 4 | 3H-MQNB(-) | -12 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| CHEMBL40554 | 2438 | 4 | 3H-MQNB(-) | -12 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| CHEMBL74300 | 2438 | 4 | 3H-MQNB(-) | -12 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | None | ||
| 15897 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 2166 | 3074 | 46 | 3H-MQNB(-) | -269 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | 3H-MQNB(-) | -269 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | 3H-MQNB(-) | -269 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | 3H-MQNB(-) | -269 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | 3H-MQNB(-) | -269 | 8 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 119570 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2233 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 953 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| CHEMBL301265 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| DB00413 | 3110 | 90 | 3H-QNB | -7585 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 211 | 3 | 2 | 4 | 1.6 | CCCN[C@H]1CCc2c(C1)sc(n2)N | None | ||
| 2389 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 128563 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1666 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| CHEMBL445332 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| DB12327 | 3408 | 28 | 3H-QNB | -2398 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 6917970 | 3635 | 54 | 3H-QNB | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 8370 | 3635 | 54 | 3H-QNB | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| CHEMBL487387 | 3635 | 54 | 3H-QNB | -2290 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 327 | 2 | 2 | 5 | 2.8 | COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(OC)c(cc1)O | None | ||
| 1267 | 3744 | 43 | 3H-NMS | -4168 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 3035905 | 3744 | 43 | 3H-NMS | -4168 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| CHEMBL260374 | 3744 | 43 | 3H-NMS | -4168 | 25 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 292 | 2 | 2 | 2 | 2.8 | S=C(N1CCC(CC1)c1cnc[nH]1)NC1CCCCC1 | None | ||
| 213 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 2717 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 5533 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| CHEMBL621 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| DB00656 | 3792 | 50 | 3H-QNB | -549 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 371 | 5 | 0 | 6 | 2.4 | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 | None | ||
| 185 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3943 | 54 | 3H-QNB | -30902 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 103 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2662 | 11279 | 124 | 3H-QNB | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| CHEMBL118 | 11279 | 124 | 3H-QNB | -41 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | ||
| 10297 | 26905 | 29 | 3H-QNB | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| CHEMBL136560 | 26905 | 29 | 3H-QNB | -38 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | C[C@H](N)[C@H](O)c1ccccc1 | None | ||
| 156391 | 46537 | 95 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL1200806 | 46537 | 95 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| CHEMBL154 | 46537 | 95 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | None | ||
| 115237 | 55296 | 113 | 3H-QNB | -7762 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| CHEMBL1621 | 55296 | 113 | 3H-QNB | -7762 | 54 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 426 | 4 | 1 | 7 | 3.1 | Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O | None | ||
| 10624 | 69957 | 17 | 3H-QNB | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 138543650 | 69957 | 17 | 3H-QNB | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| CHEMBL194378 | 69957 | 17 | 3H-QNB | -102 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 284 | 5 | 3 | 3 | 1.7 | CN(C)CCc1c[nH]c2cccc(OP(=O)(O)O)c12 | None | ||
| 1979 | 76973 | 66 | 3H-cAMP | -14 | 4 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | 3H-cAMP | -14 | 4 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 2244 | 93798 | 96 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| CHEMBL25 | 93798 | 96 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 180 | 2 | 1 | 3 | 1.3 | CC(=O)Oc1ccccc1C(=O)O | None | ||
| 3025067 | 98923 | 58 | 3H-NMS | -512 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| 65853 | 98923 | 58 | 3H-NMS | -512 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| CHEMBL282614 | 98923 | 58 | 3H-NMS | -512 | 14 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 220 | 1 | 1 | 4 | 0.9 | c1cc2c(c(N3CCNCC3)c1)OCCO2 | None | ||
| 3663 | 99505 | 79 | 3H-QNB | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| CHEMBL286494 | 99505 | 79 | 3H-QNB | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| 3452843 | 119020 | 13 | 3H-NMS | -1 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | None | ||
| CHEMBL345686 | 119020 | 13 | 3H-NMS | -1 | 10 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 516 | 6 | 2 | 4 | 5.5 | Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 | None | ||
| 446220 | 132998 | 13 | 3H-QNB | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| CHEMBL370805 | 132998 | 13 | 3H-QNB | -1778 | 45 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 3 | 0 | 5 | 1.9 | COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C | None | ||
| 44208932 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140176 | 6 | UNDEFINED | -120226 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| 1615 | 167228 | 22 | 3H-QNB | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| CHEMBL43048 | 167228 | 22 | 3H-QNB | -26 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 193 | 3 | 1 | 3 | 1.6 | CNC(C)Cc1ccc2c(c1)OCO2 | None | ||
| 5280343 | 187691 | 119 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 187691 | 119 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 187691 | 119 | 3H-QNB | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 54676228 | 192874 | 108 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| CHEMBL527 | 192874 | 108 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 331 | 2 | 2 | 5 | 1.6 | CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O | None | ||
| 4495 | 194860 | 87 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| CHEMBL56367 | 194860 | 87 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | None | ||
| 54677470 | 198867 | 110 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL1256873 | 198867 | 110 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| CHEMBL599 | 198867 | 110 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 2 | 2 | 6 | 2.0 | Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1 | None | ||
| 162265 | 200587 | 19 | 3H-QNB | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 4786 | 200587 | 19 | 3H-QNB | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| CHEMBL61006 | 200587 | 19 | 3H-QNB | -239 | 44 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 151 | 2 | 2 | 2 | 1.1 | CC(N)C(O)c1ccccc1 | None | ||
| 5281600 | 201336 | 85 | 3H-QNB | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL63354 | 201336 | 85 | 3H-QNB | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| 5656 | 201377 | 82 | 3H-QNB | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| CHEMBL637 | 201377 | 82 | 3H-QNB | -25 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 277 | 5 | 1 | 3 | 3.0 | COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1 | None | ||
| 1973 | 201790 | 12 | 3H-AF-DX384 | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 201790 | 12 | 3H-AF-DX384 | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 201790 | 12 | 3H-AF-DX384 | -3 | 35 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 202478 | 202981 | 15 | 3H-QNB | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7393 | 202981 | 15 | 3H-QNB | -97 | 25 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@H](c2cccc(O)c2)C1 | None | ||
| 5311189 | 203133 | 4 | 3H-QNB | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| CHEMBL7549 | 203133 | 4 | 3H-QNB | -194 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 219 | 3 | 1 | 2 | 3.0 | CCCN1CCC[C@@H](c2cccc(O)c2)C1 | None | ||
| 4158 | 203630 | 21 | 3H-QNB | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL1722 | 203630 | 21 | 3H-QNB | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| CHEMBL796 | 203630 | 21 | 3H-QNB | -141 | 20 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 233 | 3 | 1 | 3 | 2.1 | COC(=O)C(c1ccccc1)C1CCCCN1 | None | ||
| 4054 | 203790 | 64 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 203790 | 64 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 203790 | 64 | 3H-QNB | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| 16231 | 205776 | 53 | 3H-NMS | -7 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | None | ||
| CHEMBL945 | 205776 | 53 | 3H-NMS | -7 | 16 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 229 | 1 | 5 | 6 | -1.1 | N=C(N)NC(=O)c1nc(Cl)c(N)nc1N | None | ||
| 5831 | 214185 | 0 | 3H-NMS | -29 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 11954259 | 214201 | 0 | 3H-QNB | -15135 | 43 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 444 | 214245 | 0 | 3H-QNB | -2089 | 17 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 3 | 1 | 2 | 3.3 | CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C | None | ||
| 104911 | 214249 | 0 | 3H-QNB | -41686 | 36 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 530 | 7 | 0 | 5 | 5.1 | COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4.Cl.Cl.Cl | None | ||
| None | 214256 | 0 | 3H-NMS | -6309 | 13 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 453 | 9 | 2 | 6 | 2.6 | COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N.Cl | None | ||
| 24835791 | 214334 | 0 | 3H-MQNB(-) | -1 | 2 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 362 | 4 | 1 | 3 | 3.3 | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 | None | ||
| None | 214366 | 0 | 3H-QNB | -10000 | 23 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 772 | 16 | 4 | 10 | 5.5 | CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.CN(C)CCONC(=CC=C1C=CC(=O)C=C1)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O | None | ||
| 37632 | 214375 | 0 | 3H-QNB | -1 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 351 | 3 | 0 | 5 | 3.3 | CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4 | None | ||
| 40589 | 214376 | 0 | 3H-QNB | -407 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 377 | 7 | 0 | 6 | 2.5 | CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl | None | ||
| 25137849 | 214425 | 0 | 3H-QNB | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 71290 | 214425 | 0 | 3H-QNB | -4 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 165 | 3 | 2 | 2 | 1.3 | CC(C(C1=CC=CC=C1)O)NC | None | ||
| 3337 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| None | 214486 | 0 | 3H-QNB | -95499 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| None | 214560 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 214561 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 214562 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 214563 | 0 | 3H-QNB | -1 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 214564 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 117 | 0 | 1 | 3 | -0.0 | C1CSC(=O)C1N | None | ||
| None | 214565 | 0 | 3H-QNB | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 214566 | 0 | 3H-QNB | -1 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 214567 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 214574 | 0 | 3H-QNB | -13 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 2 | 1 | 2 | 1.2 | CC(C(=O)C1=CC=CC=C1)N | None | ||
| 1576 | 214575 | 0 | 3H-QNB | -16 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 163 | 3 | 1 | 2 | 1.5 | CC(C(=O)C1=CC=CC=C1)NC | None | ||
| None | 214576 | 0 | 3H-QNB | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
| 4978 | 214577 | 0 | 3H-QNB | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
| None | 214578 | 0 | 3H-QNB | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| None | 214579 | 0 | 3H-QNB | -281 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| None | 214580 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
| 135269 | 214639 | 0 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 222 | 5 | 1 | 3 | 2.5 | CCCCC(=O)OC1=CC=CC=C1C(=O)O | None | ||
| 23681059 | 214640 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 230 | 3 | 1 | 2 | 3.0 | CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O | None | ||
| 5018304 | 214641 | 0 | 3H-QNB | -1 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 317 | 4 | 1 | 3 | 0.0 | C1=CC=C(C(=C1)CC(=O)[O-])NC2=C(C=CC=C2Cl)Cl.[Na+] | None | ||
| 3672 | 214642 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 206 | 4 | 1 | 1 | 3.1 | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O | None | ||
| 84003 | 214643 | 0 | 3H-QNB | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 376 | 6 | 5 | 7 | -0.0 | C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.C(C(CO)(CO)N)O | None | ||
| 119828 | 214645 | 0 | 3H-QNB | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 370 | 5 | 1 | 5 | 3.5 | CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C | None | ||
| 5090 | 214646 | 0 | 3H-QNB | -1348 | 31 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 0 | 4 | 2.6 | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 | None | ||
| 119607 | 214647 | 0 | 3H-QNB | -97 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 314 | 3 | 1 | 4 | 3.0 | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N | None | ||
| None | 214648 | 0 | 3H-QNB | -7 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 517 | 8 | 2 | 5 | 5.2 | CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)NCCC4=CC=C(C=C4)NC(=O)C | None | ||
| None | 214747 | 0 | 3H-QNB | -4570 | 27 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 347 | 6 | 0 | 3 | 5.0 | CC(=O)N(CC1=CC=CC=C1OC)C2=CC=CC=C2OC3=CC=CC=C3 | None | ||
| None | 214752 | 0 | 3H-NMS | -10471285 | 17 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 372 | 2 | 1 | 3 | 4.4 | CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl | None | ||
| None | 214753 | 0 | 3H-NMS | -1 | 13 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 399 | 7 | 4 | 5 | 1.8 | CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)O)C(=O)O.O | None | ||
| 20980871 | 214683 | 0 | 3H-QNB | -27 | 7 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 295 | 3 | 0 | 2 | 4.7 | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 | None | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 9399 | 214336 | 0 | 3H-MQNB(-) | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 493 | 3 | 2 | 4 | -1.1 | C[N+]1(CCOC(C1)(C2=CC=C(C=C2)C3=CC=C(C=C3)C4(C[N+](CCO4)(C)C)O)O)C.[Br-] | None | ||
| 180 | 397 | 50 | 3H-QNB | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | 3H-QNB | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | 3H-QNB | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | 3H-QNB | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | 3H-QNB | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 4543 | 169982 | 36 | 3H-QNB | -6 | 29 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169982 | 36 | 3H-QNB | -6 | 29 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169982 | 36 | 3H-QNB | -6 | 29 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 44431388 | 86891 | 0 | UNDEFINED | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | None | ||
| CHEMBL233202 | 86891 | 0 | UNDEFINED | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 348 | 6 | 1 | 5 | 2.8 | CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 | None | ||
| 44431380 | 87557 | 0 | UNDEFINED | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL234257 | 87557 | 0 | UNDEFINED | -2 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 318 | 5 | 1 | 4 | 2.9 | CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1 | None | ||
| 154825138 | 214267 | 0 | 3H-MQNB(-) | -1 | 12 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -1 | 12 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -1 | 12 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154734599 | 2467 | 8 | 3H-4-DAMP | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 154734599 | 2467 | 8 | 3H-PIRENZEPINE | -1 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-4-DAMP | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-PIRENZEPINE | -1 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-4-DAMP | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-PIRENZEPINE | -1 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-4-DAMP | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-PIRENZEPINE | -1 | 11 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 1224 | 1404 | 79 | 3H-QNB | -6 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1404 | 79 | 3H-QNB | -6 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1404 | 79 | 3H-QNB | -6 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1404 | 79 | 3H-QNB | -6 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1404 | 79 | 3H-QNB | -6 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1404 | 79 | 3H-QNB | -6 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 310 | 1891 | 0 | 3H-NMS | -25 | 11 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-NMS | -25 | 11 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-NMS | -25 | 11 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 1353 | 1880 | 85 | 3H-NMS | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-NMS | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-NMS | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-NMS | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-NMS | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -338 | 85 | Rat | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3652 | 4034 | 72 | 3H-QNB | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | 3H-QNB | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | 3H-QNB | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | 3H-QNB | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | 3H-QNB | -18 | 18 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| None | 214505 | 0 | 3H-4-DAMP | -8 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 851 | 24 | 12 | 12 | -2.6 | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4 | None | ||
| 1734 | 116 | 8 | 3H-NMS | -12 | 12 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-NMS | -12 | 12 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-NMS | -12 | 12 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 2745 | 3800 | 39 | 3H-NMS | -18 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-NMS | -18 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-NMS | -18 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-NMS | -18 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-NMS | -18 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-NMS | -18 | 9 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| None | 214505 | 0 | 3H-NMS | -8 | 5 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 851 | 24 | 12 | 12 | -2.6 | CCC(C)C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4CCCN4 | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 100 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 4066 | 202920 | 72 | 3H-QNB | -1 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| CHEMBL73451 | 202920 | 72 | 3H-QNB | -1 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| 154825138 | 214267 | 0 | 3H-MQNB(-) | -1 | 12 | Rat | 7.9 | pKi | = | 7.9 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 103 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 103 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | 3H-QNB | -177 | 53 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 4601 | 205020 | 29 | 3H-NMS | -6 | 17 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205020 | 29 | 3H-NMS | -6 | 17 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205020 | 29 | 3H-NMS | -6 | 17 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 4839 | 214625 | 0 | 3H-NMS | -3 | 5 | Rat | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 323 | 5 | 0 | 3 | 3.8 | CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 | None | ||
| 2274 | 3124 | 53 | 3H-QNB | -100 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 3124 | 53 | 3H-QNB | -100 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 3124 | 53 | 3H-QNB | -100 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 3124 | 53 | 3H-QNB | -100 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 3124 | 53 | 3H-QNB | -100 | 32 | Human | 5.9 | pKi | = | 5.9 | Binding | PDSP KiDatabase | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 1712 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -1 | 12 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 2270 | 3122 | 60 | 3H-MQNB(-) | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| 4811 | 3122 | 60 | 3H-MQNB(-) | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| 4913 | 3122 | 60 | 3H-MQNB(-) | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| CHEMBL640 | 3122 | 60 | 3H-MQNB(-) | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| DB01035 | 3122 | 60 | 3H-MQNB(-) | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| 2726 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 3012003 | 214377 | 0 | 3H-QNB | -1 | 12 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 308 | 2029 | 20 | 3H-MQNB(-) | -11 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2029 | 20 | 3H-MQNB(-) | -11 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2029 | 20 | 3H-MQNB(-) | -11 | 9 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 154734599 | 2467 | 8 | 3H-QNB | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-QNB | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-QNB | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-QNB | -1 | 11 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 5387 | 94438 | 24 | 3H-NMS | -19 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| CHEMBL253978 | 94438 | 24 | 3H-NMS | -19 | 6 | Rat | 7.8 | pKi | = | 7.8 | Binding | PDSP KiDatabase | 370 | 2 | 1 | 5 | 2.5 | Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O | None | ||
| 1225 | 1443 | 24 | 3H-QNB | -117 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1443 | 24 | 3H-QNB | -117 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1443 | 24 | 3H-QNB | -117 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1443 | 24 | 3H-QNB | -117 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1443 | 24 | 3H-QNB | -117 | 21 | Human | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 73707487 | 214624 | 0 | 3H-NMS | -23 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 1273 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 3450 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 356 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 6172 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 67425 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| CHEMBL360055 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| DB00483 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 308 | 2029 | 20 | 3H-MQNB(-) | -10 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2029 | 20 | 3H-MQNB(-) | -10 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2029 | 20 | 3H-MQNB(-) | -10 | 9 | Rat | 6.8 | pKi | = | 6.8 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 135398745 | 2869 | 108 | 3H-NMS | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-NMS | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-NMS | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-NMS | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -9 | 65 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 101 | 3762 | 18 | 3H-QNB | -288 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 55752 | 3762 | 18 | 3H-QNB | -288 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL35057 | 3762 | 18 | 3H-QNB | -288 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 440 | 6 | 0 | 6 | 3.9 | O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 2448 | 214184 | 0 | 3H-QNB | -72 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F | None | ||
| 2448 | 214184 | 0 | 3H-QNB | -72 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 419 | 6 | 1 | 3 | 4.5 | C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F | None | ||
| 5831 | 214185 | 0 | 3H-MQNB(-) | -29 | 12 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 3337 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| None | 214502 | 0 | 3H-NMS | -1659 | 18 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 416 | 9 | 3 | 4 | 2.8 | C1=CC(=CC=C1CCNC(N)SCCCC2=CN=CN2)I | None | ||
| 2200 | 3082 | 38 | 3H-4-DAMP | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-4-DAMP | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-4-DAMP | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-4-DAMP | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-4-DAMP | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 44431383 | 87594 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL234439 | 87594 | 0 | UNDEFINED | 1 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 346 | 6 | 1 | 4 | 3.7 | CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1 | None | ||
| 131632304 | 214266 | 0 | 3H-QNB | -6 | 13 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 303 | 4 | 1 | 5 | 0.9 | CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4 | None | ||
| 2230 | 461 | 55 | 3H-QNB | -75 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 461 | 55 | 3H-QNB | -75 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 461 | 55 | 3H-QNB | -75 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 461 | 55 | 3H-QNB | -75 | 10 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 44431381 | 148489 | 0 | UNDEFINED | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL394254 | 148489 | 0 | UNDEFINED | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | PDSP KiDatabase | 318 | 6 | 1 | 4 | 2.9 | CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1 | None | ||
| None | 214504 | 0 | 3H-NMS | -5 | 5 | Human | 7.7 | pKi | = | 7.7 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 124226 | 1890 | 0 | 3H-NMS | -19 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 322 | 1890 | 0 | 3H-NMS | -19 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 5831 | 214185 | 0 | 3H-MQNB(-) | -190 | 12 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 135398737 | 944 | 89 | 3H-NMS | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398737 | 944 | 89 | 3H-NMSP | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-NMS | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-NMSP | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-NMS | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-NMSP | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-NMS | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-NMSP | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-NMS | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-NMSP | -22 | 91 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 5831 | 214185 | 0 | 3H-MQNB(-) | -190 | 12 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 68617 | 203816 | 60 | 3H-QNB | -32 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 203816 | 60 | 3H-QNB | -32 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 203816 | 60 | 3H-QNB | -32 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 11954259 | 214201 | 0 | 3H-QNB | -15135 | 43 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C | None | ||
| 4601 | 205020 | 29 | 3H-QNB | -2 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205020 | 29 | 3H-QNB | -2 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205020 | 29 | 3H-QNB | -2 | 17 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 2726 | 906 | 64 | 3H-MQNB(-) | -79 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-MQNB(-) | -79 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-MQNB(-) | -79 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-MQNB(-) | -79 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-MQNB(-) | -79 | 72 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1212 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 214 | 3799 | 52 | 3H-QNB | -2630 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2740 | 3799 | 52 | 3H-QNB | -2630 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 5566 | 3799 | 52 | 3H-QNB | -2630 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 66064 | 3799 | 52 | 3H-QNB | -2630 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL422 | 3799 | 52 | 3H-QNB | -2630 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00831 | 3799 | 52 | 3H-QNB | -2630 | 29 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 2200 | 3082 | 38 | 3H-QNB | -63 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-QNB | -63 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-QNB | -63 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-QNB | -63 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-QNB | -63 | 13 | Rat | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1979 | 76973 | 66 | 3H-cAMP | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | 3H-cAMP | -2 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 302 | 2929 | 23 | 3H-MQNB(-) | -34 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 4630 | 2929 | 23 | 3H-MQNB(-) | -34 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| CHEMBL7634 | 2929 | 23 | 3H-MQNB(-) | -34 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 15387 | 214209 | 0 | 3H-QNB | -16 | 23 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F | None | ||
| 15387 | 214209 | 0 | 3H-QNB | -16 | 23 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F | None | ||
| 3042 | 1386 | 31 | 3H-NMS | -28 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | 3H-NMS | -28 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | 3H-NMS | -28 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | 3H-NMS | -28 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | 3H-NMS | -28 | 15 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 5831 | 214185 | 0 | 3H-cAMP | -190 | 12 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 310 | 1891 | 0 | 3H-NMS | -56 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-NMS | -56 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-NMS | -56 | 11 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 10921 | 12934 | 19 | 3H-MQNB(-) | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | None | ||
| 2968 | 12934 | 19 | 3H-MQNB(-) | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | None | ||
| CHEMBL1190 | 12934 | 19 | 3H-MQNB(-) | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | None | ||
| 4919 | 204511 | 21 | 3H-QNB | -3 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 204511 | 21 | 3H-QNB | -3 | 9 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 100 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1273 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 3450 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 356 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 6172 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 67425 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| CHEMBL360055 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| DB00483 | 1724 | 14 | 3H-MQNB(-) | -1 | 3 | Rat | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 2905 | 214622 | 0 | 3H-NMS | -16 | 5 | Rat | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 291 | 6 | 1 | 4 | 2.2 | CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O | None | ||
| 2200 | 3082 | 38 | 3H-QNB | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-QNB | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-QNB | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-QNB | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-QNB | -70 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1209 | 1628 | 69 | 3H-QNB | -22 | 31 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1628 | 69 | 3H-QNB | -22 | 31 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1628 | 69 | 3H-QNB | -22 | 31 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1628 | 69 | 3H-QNB | -22 | 31 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1628 | 69 | 3H-QNB | -22 | 31 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 2726 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 11976 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.6 | pKi | = | 7.6 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 209 | 3008 | 94 | 3H-QNB | -4073 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 2113 | 3008 | 94 | 3H-QNB | -4073 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4748 | 3008 | 94 | 3H-QNB | -4073 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL567 | 3008 | 94 | 3H-QNB | -4073 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00850 | 3008 | 94 | 3H-QNB | -4073 | 23 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 403 | 6 | 1 | 5 | 3.9 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 302 | 2929 | 23 | 3H-MQNB(-) | -4 | 7 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 4630 | 2929 | 23 | 3H-MQNB(-) | -4 | 7 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| CHEMBL7634 | 2929 | 23 | 3H-MQNB(-) | -4 | 7 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 1192 | 147 | 41 | 3H-NMS | -46 | 16 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| 1794 | 147 | 41 | 3H-NMS | -46 | 16 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| CHEMBL501701 | 147 | 41 | 3H-NMS | -46 | 16 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 311 | 2 | 3 | 5 | 0.5 | NC(=NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1)N | None | ||
| 2028 | 2931 | 77 | 3H-NMS | -5 | 11 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | 3H-NMS | -5 | 11 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | 3H-NMS | -5 | 11 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | 3H-NMS | -5 | 11 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | 3H-NMS | -5 | 11 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | 1 | 11 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 1734 | 116 | 8 | 3H-QNB | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-QNB | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-QNB | -12 | 12 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 1734 | 116 | 8 | 3H-NMS | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-NMS | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-NMS | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 3246155 | 214183 | 0 | 3H-NMS | -16 | 16 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 307 | 4 | 0 | 2 | 4.4 | CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4 | None | ||
| 1734 | 116 | 8 | 3H-4-DAMP | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-4-DAMP | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-4-DAMP | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 308 | 2029 | 20 | 3H-NMS | -10 | 9 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 3603 | 2029 | 20 | 3H-NMS | -10 | 9 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| CHEMBL1256682 | 2029 | 20 | 3H-NMS | -10 | 9 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | None | ||
| 1613 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 2865 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | 3H-QNB | -1659 | 53 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 3042 | 1386 | 31 | 3H-NMS | -12 | 15 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | 3H-NMS | -12 | 15 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | 3H-NMS | -12 | 15 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | 3H-NMS | -12 | 15 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | 3H-NMS | -12 | 15 | Rat | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 7534 | 214623 | 0 | 3H-NMS | -3 | 5 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 291 | 3 | 1 | 4 | 2.5 | CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O | None | ||
| 3947 | 214378 | 0 | 3H-QNB | -6 | 15 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl | None | ||
| 114743 | 214331 | 0 | 3H-QNB | -1 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 291 | 1 | 1 | 1 | 4.9 | C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 5831 | 214185 | 0 | 3H-cAMP | -29 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 3294 | 1975 | 106 | 3H-NMS | -194 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1975 | 106 | 3H-NMS | -194 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1975 | 106 | 3H-NMS | -194 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1975 | 106 | 3H-NMS | -194 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1975 | 106 | 3H-NMS | -194 | 44 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 15897 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 187 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-NMS | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 43815 | 186337 | 58 | 3H-QNB | -15 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186337 | 58 | 3H-QNB | -15 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186337 | 58 | 3H-QNB | -15 | 24 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 187 | 253 | 34 | 3H-MQNB(-) | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-MQNB(-) | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-MQNB(-) | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-MQNB(-) | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-MQNB(-) | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-MQNB(-) | 6 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 130169 | 3548 | 0 | 3H-NMS | -26 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| 331 | 3548 | 0 | 3H-NMS | -26 | 5 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | None | ||
| 242 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 242 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | 3H-QNB | -295 | 51 | Human | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 2389 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 2200 | 3082 | 38 | 3H-MQNB(-) | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-MQNB(-) | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-MQNB(-) | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-MQNB(-) | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-MQNB(-) | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 3337 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | 3H-QNB | -120 | 40 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 442108 | 84213 | 5 | 3H-QNB | -3 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | PDSP KiDatabase | 310 | 2 | 1 | 2 | 3.9 | CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13 | None | ||
| CHEMBL222287 | 84213 | 5 | 3H-QNB | -3 | 11 | Human | 4.4 | pKi | = | 4.4 | Binding | PDSP KiDatabase | 310 | 2 | 1 | 2 | 3.9 | CC[C@H]1C[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN(C2)[C@@H]13 | None | ||
| 2370 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 297 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 358 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| CHEMBL1482 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| DB01019 | 616 | 30 | None | -1 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | None | ||
| 5831 | 214185 | 0 | 3H-NMS | -29 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 129989 | 447 | 41 | 3H-NMS | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 8584 | 447 | 41 | 3H-NMS | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| CHEMBL43383 | 447 | 41 | 3H-NMS | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | None | ||
| 10938 | 1672 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 299 | 1672 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 3256 | 1672 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| CHEMBL2110739 | 1672 | 0 | None | 1 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | None | ||
| 154734599 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-NMS | -1 | 11 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 154825138 | 214267 | 0 | 3H-NMS | -1 | 12 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 1734 | 116 | 8 | 3H-MQNB(-) | -9 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-MQNB(-) | -9 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-MQNB(-) | -9 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 71128 | 96362 | 18 | 3H-NMS | -3 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL26505 | 96362 | 18 | 3H-NMS | -3 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 325 | 8 | 0 | 3 | 3.9 | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 | None | ||
| 44431376 | 86889 | 0 | UNDEFINED | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | None | ||
| CHEMBL233200 | 86889 | 0 | UNDEFINED | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 344 | 6 | 1 | 4 | 2.7 | CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1 | None | ||
| 135409468 | 2004 | 63 | 3H-QNB | -114 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2004 | 63 | 3H-QNB | -114 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2004 | 63 | 3H-QNB | -114 | 40 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 2200 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 62865 | 1248 | 0 | 3H-Methoctramine | -6 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1248 | 0 | 3H-Methoctramine | -6 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1248 | 0 | 3H-Methoctramine | -6 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1248 | 0 | 3H-Methoctramine | -6 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1248 | 0 | 3H-Methoctramine | -6 | 14 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 154734599 | 2467 | 8 | 3H-MQNB(-) | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-MQNB(-) | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-MQNB(-) | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-MQNB(-) | 1 | 11 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4919 | 204511 | 21 | 3H-NMS | -9 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 204511 | 21 | 3H-NMS | -9 | 9 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 187 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 2726 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | 3H-QNB | -79 | 72 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 1979 | 76973 | 66 | 3H-cAMP | -14 | 4 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | 3H-cAMP | -14 | 4 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 154734599 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 44431372 | 86887 | 0 | UNDEFINED | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| CHEMBL233198 | 86887 | 0 | UNDEFINED | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 368 | 7 | 1 | 4 | 3.7 | CC(C)c1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| 2200 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1830 | 2552 | 39 | 3H-QNB | -79432 | 27 | Human | 3.4 | pKi | = | 3.4 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 207 | 2552 | 39 | 3H-QNB | -79432 | 27 | Human | 3.4 | pKi | = | 3.4 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 23897 | 2552 | 39 | 3H-QNB | -79432 | 27 | Human | 3.4 | pKi | = | 3.4 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| CHEMBL460 | 2552 | 39 | 3H-QNB | -79432 | 27 | Human | 3.4 | pKi | = | 3.4 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| DB01618 | 2552 | 39 | 3H-QNB | -79432 | 27 | Human | 3.4 | pKi | = | 3.4 | Binding | PDSP KiDatabase | 276 | 3 | 1 | 3 | 2.0 | CCc1c(C)[nH]c2c1C(=O)C(CC2)CN1CCOCC1 | None | ||
| 5831 | 214185 | 0 | 3H-MQNB(-) | -190 | 12 | Rat | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 208 | 2820 | 0 | 3H-QNB | -50 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 4541 | 2820 | 0 | 3H-QNB | -50 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL1494 | 2820 | 0 | 3H-QNB | -50 | 12 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 295 | 5 | 1 | 2 | 4.2 | NCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| None | 214475 | 0 | 3H-NMS | -56 | 6 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 426 | 7 | 1 | 3 | 4.0 | C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5 | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 10090005 | 214210 | 0 | 3H-QNB | -165 | 10 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 361 | 1 | 0 | 3 | 4.4 | CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)C(=CC#N)C4=CC=CC=C42 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 44431369 | 87555 | 0 | UNDEFINED | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| CHEMBL234253 | 87555 | 0 | UNDEFINED | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 340 | 6 | 1 | 4 | 2.9 | Cc1ccc(CCNCC2(N(C)C)COc3ccccc3OC2)cc1 | None | ||
| 302 | 2929 | 23 | 3H-MQNB(-) | -4 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 4630 | 2929 | 23 | 3H-MQNB(-) | -4 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| CHEMBL7634 | 2929 | 23 | 3H-MQNB(-) | -4 | 7 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | None | ||
| 2745 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 154734599 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-MQNB(-) | -1 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 44431375 | 86888 | 0 | UNDEFINED | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | None | ||
| CHEMBL233199 | 86888 | 0 | UNDEFINED | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 394 | 6 | 1 | 4 | 3.9 | CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1 | None | ||
| 44431370 | 87556 | 0 | UNDEFINED | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | None | ||
| CHEMBL234254 | 87556 | 0 | UNDEFINED | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 360 | 6 | 1 | 4 | 3.2 | CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1 | None | ||
| 2166 | 3074 | 46 | None | -269 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 305 | 3074 | 46 | None | -269 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 5910 | 3074 | 46 | None | -269 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| CHEMBL550 | 3074 | 46 | None | -269 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| DB01085 | 3074 | 46 | None | -269 | 8 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | None | ||
| 3823 | 49951 | 38 | None | -44 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 76973198 | 49951 | 38 | None | -44 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL157101 | 49951 | 38 | None | -44 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 530 | 7 | 0 | 7 | 4.2 | CC(=O)N1CCN(c2ccc(OCC3COC(Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 44431391 | 145888 | 0 | UNDEFINED | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | None | ||
| CHEMBL392186 | 145888 | 0 | UNDEFINED | -1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 352 | 6 | 1 | 5 | 2.3 | CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 | None | ||
| 3389 | 215982 | 0 | None | 1 | 26 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 549 | 12 | 0 | 6 | 6.8 | CCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3=C2C=C(C=C3)C(F)(F)F)CC1 | None | ||
| 2812 | 4711 | 96 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4711 | 96 | None | -33 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 2719 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 5535 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 607 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| CHEMBL76 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| DB00608 | 904 | 66 | None | -4 | 11 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 319 | 8 | 1 | 3 | 4.8 | CCN(CCCC(Nc1ccnc2c1ccc(c2)Cl)C)CC | None | ||
| 441383 | 20133 | 54 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| CHEMBL1306 | 20133 | 54 | None | -7 | 17 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 531 | 8 | 0 | 8 | 4.5 | CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1 | None | ||
| 2389 | 3279 | 114 | None | -2691 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | None | -2691 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | None | -2691 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | None | -2691 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | None | -2691 | 67 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 242 | 467 | 117 | None | -295 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 34 | 467 | 117 | None | -295 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 60795 | 467 | 117 | None | -295 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| CHEMBL1112 | 467 | 117 | None | -295 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| DB01238 | 467 | 117 | None | -295 | 51 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | None | ||
| 3294 | 1975 | 106 | None | -194 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 71360 | 1975 | 106 | None | -194 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 87 | 1975 | 106 | None | -194 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| CHEMBL14376 | 1975 | 106 | None | -194 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| DB04946 | 1975 | 106 | None | -194 | 44 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 426 | 8 | 0 | 6 | 4.8 | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C | None | ||
| 1016 | 3690 | 75 | None | -23 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2561 | 3690 | 75 | None | -23 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 2733526 | 3690 | 75 | None | -23 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 5384 | 3690 | 75 | None | -23 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| CHEMBL83 | 3690 | 75 | None | -23 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| DB00675 | 3690 | 75 | None | -23 | 35 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | None | ||
| 1209 | 1628 | 69 | None | -22 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 203 | 1628 | 69 | None | -22 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 3386 | 1628 | 69 | None | -22 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| CHEMBL41 | 1628 | 69 | None | -22 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| DB00472 | 1628 | 69 | None | -22 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.4 | CNCCC(c1ccccc1)Oc1ccc(cc1)C(F)(F)F | None | ||
| 1212 | 1632 | 45 | None | -1380 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | None | -1380 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | None | -1380 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | None | -1380 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | None | -1380 | 65 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 66265 | 93579 | 12 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| CHEMBL248702 | 93579 | 12 | None | -1 | 19 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1 | None | ||
| 1210 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1213 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 2725 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 33036 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 4411 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 616 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 6976 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 716121 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 90475904 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1201353 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL1554789 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| CHEMBL505 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB01114 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| DB13679 | 905 | 45 | None | -162 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 274 | 5 | 0 | 2 | 3.8 | CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C | None | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 356 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 15387 | 214209 | 0 | None | -16 | 23 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 263 | 5 | 0 | 2 | 3.5 | CC1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F | None | ||
| 212 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 2639 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 941651 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| CHEMBL1201 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| DB01623 | 3746 | 43 | None | -5 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | None | ||
| 68617 | 203816 | 60 | None | -32 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL1709 | 203816 | 60 | None | -32 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| CHEMBL809 | 203816 | 60 | None | -32 | 25 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | None | ||
| 176 | 394 | 63 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 394 | 63 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 394 | 63 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 394 | 63 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 394 | 63 | None | -2 | 31 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2448 | 214184 | 0 | None | -72 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 419 | 6 | 1 | 3 | 4.5 | C1CN(CCC1(C2=CC=C(C=C2)Br)O)CCCC(=O)C3=CC=C(C=C3)F | None | ||
| 4189 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL1559 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| CHEMBL91 | 205195 | 91 | None | -18 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | ||
| 1548955 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 2800 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| CHEMBL2355051 | 88153 | 17 | None | -1 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | ||
| 3198 | 203802 | 73 | None | -16 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL1201049 | 203802 | 73 | None | -16 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| CHEMBL808 | 203802 | 73 | None | -16 | 34 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | ||
| 2274 | 3124 | 53 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 4917 | 3124 | 53 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 7279 | 3124 | 53 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| CHEMBL728 | 3124 | 53 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| DB00433 | 3124 | 53 | None | -100 | 32 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | None | ||
| 3652 | 45983 | 62 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| CHEMBL1535 | 45983 | 62 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 335 | 9 | 2 | 4 | 3.8 | CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 | None | ||
| 72064 | 77994 | 9 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | None | ||
| CHEMBL2110892 | 77994 | 9 | None | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 8 | 0 | 4 | 3.1 | CCN(CC)CCOC(=O)C(c1ccccc1)N1CCCCC1 | None | ||
| 2774 | 3807 | 92 | 3H-NMS | -3 | 10 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3807 | 92 | 3H-NMS | -3 | 10 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3807 | 92 | 3H-NMS | -3 | 10 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3807 | 92 | 3H-NMS | -3 | 10 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3807 | 92 | 3H-NMS | -3 | 10 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3807 | 92 | 3H-NMS | -3 | 10 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 310 | 1891 | 0 | 3H-QNB | -25 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 3602 | 1891 | 0 | 3H-QNB | -25 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| CHEMBL3545990 | 1891 | 0 | 3H-QNB | -25 | 11 | Rat | 7.3 | pKi | = | 7.3 | Binding | PDSP KiDatabase | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | None | ||
| 2200 | 3082 | 38 | 3H-PIRENZEPINE | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-PIRENZEPINE | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-PIRENZEPINE | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-PIRENZEPINE | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-PIRENZEPINE | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 183782 | 3346 | 15 | 3H-NMS | -1202 | 14 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 237 | 3346 | 15 | 3H-NMS | -1202 | 14 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| CHEMBL85251 | 3346 | 15 | 3H-NMS | -1202 | 14 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 352 | 8 | 1 | 4 | 4.4 | CCCCN1CCC(CC1)CCC(=O)c1cc(Cl)c(cc1OC)N | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1613 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 1353 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | 3H-QNB | -5011 | 85 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 2230 | 461 | 55 | 3H-MQNB(-) | -107 | 10 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 296 | 461 | 55 | 3H-MQNB(-) | -107 | 10 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| CHEMBL7303 | 461 | 55 | 3H-MQNB(-) | -107 | 10 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| DB04365 | 461 | 55 | 3H-MQNB(-) | -107 | 10 | Rat | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | None | ||
| 2200 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-MQNB(-) | -63 | 13 | Rat | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2995 | 202700 | 49 | 3H-QNB | -8 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 202700 | 49 | 3H-QNB | -8 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 202700 | 49 | 3H-QNB | -8 | 22 | Human | 6.3 | pKi | = | 6.3 | Binding | PDSP KiDatabase | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 15897 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 215 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| CHEMBL1979333 | 2817 | 0 | 3H-QNB | -204 | 36 | Human | 5.3 | pKi | = | 5.3 | Binding | PDSP KiDatabase | 203 | 2 | 1 | 1 | 2.6 | CC(Cc1cccc(c1)C(F)(F)F)N | None | ||
| 108107 | 79534 | 30 | 3H-NMS | -8 | 15 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| 156592250 | 79534 | 30 | 3H-NMS | -8 | 15 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| CHEMBL1256878 | 79534 | 30 | 3H-NMS | -8 | 15 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| CHEMBL212579 | 79534 | 30 | 3H-NMS | -8 | 15 | Rat | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 319 | 3 | 4 | 5 | 0.5 | N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1 | None | ||
| 1613 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | 3H-QNB | -35 | 44 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 9905731 | 167943 | 0 | UNDEFINED | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | None | ||
| CHEMBL435353 | 167943 | 0 | UNDEFINED | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 334 | 6 | 1 | 5 | 2.2 | CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1 | None | ||
| 191 | 399 | 92 | None | -56 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 201 | 399 | 92 | None | -56 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| 2170 | 399 | 92 | None | -56 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| CHEMBL1113 | 399 | 92 | None | -56 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| DB00543 | 399 | 92 | None | -56 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | None | ||
| None | 214506 | 0 | 3H-NMS | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 574 | 9 | 3 | 7 | 4.0 | CCCN(CCC)CC1CCCCN1CCNC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4.CS(=O)(=O)O | None | ||
| 2337 | 3205 | 72 | None | -31 | 62 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | None | -31 | 62 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | None | -31 | 62 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | None | -31 | 62 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | None | -31 | 62 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 3236 | 67267 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | None | ||
| CHEMBL1902981 | 67267 | 40 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 5 | 0 | 2 | 3.6 | CCc1ccc(C(=O)C(C)CN2CCCCC2)cc1 | None | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | None | ||
| 4011 | 81996 | 43 | None | -35 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| CHEMBL21731 | 81996 | 43 | None | -35 | 23 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 277 | 4 | 1 | 1 | 4.2 | CNCCCC12CCC(c3ccccc31)c1ccccc12 | None | ||
| 44431382 | 87593 | 0 | UNDEFINED | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | None | ||
| CHEMBL234438 | 87593 | 0 | UNDEFINED | -2 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 332 | 6 | 1 | 4 | 3.3 | CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1 | None | ||
| 4098 | 32289 | 24 | None | -15 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1255739 | 32289 | 24 | None | -15 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| CHEMBL1411979 | 32289 | 24 | None | -15 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 261 | 6 | 0 | 4 | 2.7 | CN(C)CCN(Cc1cccs1)c1ccccn1 | None | ||
| 2995 | 202700 | 49 | None | -8 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1696 | 202700 | 49 | None | -8 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL72 | 202700 | 49 | None | -8 | 22 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 4 | 1 | 2 | 3.5 | CNCCCN1c2ccccc2CCc2ccccc21 | None | ||
| 11057 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 3468 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL459265 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| CHEMBL64894 | 175575 | 19 | None | -1 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 372 | 4 | 0 | 2 | 4.5 | CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1 | None | ||
| 4735 | 193445 | 92 | None | -9 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL361506 | 193445 | 92 | None | -9 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| CHEMBL55 | 193445 | 92 | None | -9 | 10 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 340 | 10 | 4 | 4 | 2.9 | N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1 | None | ||
| 2247 | 502 | 77 | None | -32 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 249 | 502 | 77 | None | -32 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2603 | 502 | 77 | None | -32 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| CHEMBL296419 | 502 | 77 | None | -32 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| DB00637 | 502 | 77 | None | -32 | 41 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | ||
| 2381 | 656 | 43 | 3H-QNB | -15 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 374 | 656 | 43 | 3H-QNB | -15 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 7128 | 656 | 43 | 3H-QNB | -15 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| CHEMBL1101 | 656 | 43 | 3H-QNB | -15 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| DB00810 | 656 | 43 | 3H-QNB | -15 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 311 | 5 | 1 | 2 | 4.0 | OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1 | None | ||
| 1530 | 2151 | 44 | None | -43 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 3827 | 2151 | 44 | None | -43 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 7206 | 2151 | 44 | None | -43 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| CHEMBL534 | 2151 | 44 | None | -43 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| DB00920 | 2151 | 44 | None | -43 | 20 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 0 | 0 | 3 | 4.0 | CN1CCC(=C2c3ccccc3CC(=O)c3c2ccs3)CC1 | None | ||
| 6726 | 1254 | 46 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 7151 | 1254 | 46 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 749 | 1254 | 46 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL648 | 1254 | 46 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| DB01176 | 1254 | 46 | None | -9 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 266 | 3 | 0 | 2 | 3.0 | CN1CCN(CC1)C(c1ccccc1)c1ccccc1 | None | ||
| 1613 | 2316 | 44 | None | -35 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 205 | 2316 | 44 | None | -35 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 3964 | 2316 | 44 | None | -35 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| CHEMBL831 | 2316 | 44 | None | -35 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| DB00408 | 2316 | 44 | None | -35 | 44 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 327 | 0 | 0 | 4 | 3.8 | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 | None | ||
| 6918558 | 216013 | 0 | None | -1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 411 | 10 | 1 | 4 | 5.4 | CC(C)N(CC[C@H](C1=CC=CC=C1)C1=C(OC(=O)C(C)C)C=CC(CO)=C1)C(C)C | None | ||
| 2284 | 3133 | 27 | None | -21 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 4926 | 3133 | 27 | None | -21 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 7281 | 3133 | 27 | None | -21 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| CHEMBL564 | 3133 | 27 | None | -21 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| DB00420 | 3133 | 27 | None | -21 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 284 | 4 | 0 | 3 | 4.2 | CN(CCCN1c2ccccc2Sc2c1cccc2)C | None | ||
| 135 | 2496 | 38 | None | -25 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 1796 | 2496 | 38 | None | -25 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 4184 | 2496 | 38 | None | -25 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| CHEMBL6437 | 2496 | 38 | None | -25 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| DB06148 | 2496 | 38 | None | -25 | 57 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 264 | 0 | 0 | 2 | 3.1 | CN1CCN2C(C1)c1ccccc1Cc1c2cccc1 | None | ||
| 237 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL546257 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL554190 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| CHEMBL7568 | 203157 | 43 | None | -1 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 399 | 9 | 1 | 4 | 6.0 | CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 | None | ||
| 3947 | 214378 | 0 | None | -6 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 418 | 7 | 0 | 3 | 5.8 | CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl | None | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 3191 | 102385 | 93 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| CHEMBL305660 | 102385 | 93 | None | -8 | 25 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | None | ||
| 3055 | 1405 | 43 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 313 | 1405 | 43 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 7163 | 1405 | 43 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| CHEMBL936 | 1405 | 43 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| DB01231 | 1405 | 43 | None | -2 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 6 | 1 | 2 | 4.2 | OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1 | None | ||
| 3042 | 1386 | 31 | None | -28 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | None | -28 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | None | -28 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | None | -28 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | None | -28 | 15 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 1353 | 1880 | 85 | None | -338 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 3559 | 1880 | 85 | None | -338 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 86 | 1880 | 85 | None | -338 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| CHEMBL54 | 1880 | 85 | None | -338 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| DB00502 | 1880 | 85 | None | -338 | 85 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | None | ||
| 1935 | 3677 | 92 | None | -6 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 2551 | 3677 | 92 | None | -6 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 6687 | 3677 | 92 | None | -6 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| CHEMBL95 | 3677 | 92 | None | -6 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| DB00382 | 3677 | 92 | None | -6 | 6 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 198 | 0 | 1 | 2 | 2.7 | Nc1c2CCCCc2nc2c1cccc2 | None | ||
| 2335 | 11743 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 8478 | 11743 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL1182210 | 11743 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| CHEMBL221753 | 11743 | 21 | None | -2 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | None | ||
| 6075 | 149575 | 36 | None | -7 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| CHEMBL395110 | 149575 | 36 | None | -7 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 310 | 2 | 0 | 3 | 4.6 | CN1CCCC(CN2c3ccccc3Sc3ccccc32)C1 | None | ||
| 26987 | 936 | 29 | None | -102 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 6063 | 936 | 29 | None | -102 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 671 | 936 | 29 | None | -102 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| CHEMBL1626 | 936 | 29 | None | -102 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| DB00283 | 936 | 29 | None | -102 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 343 | 6 | 0 | 2 | 5.1 | Clc1ccc(cc1)[C@@](c1ccccc1)(OCC[C@H]1CCCN1C)C | None | ||
| 1734 | 116 | 8 | 3H-MQNB(-) | -12 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-MQNB(-) | -12 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-MQNB(-) | -12 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 43815 | 186337 | 58 | None | -15 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL1708 | 186337 | 58 | None | -15 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| CHEMBL490 | 186337 | 58 | None | -15 | 24 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 329 | 4 | 1 | 4 | 3.3 | Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1 | None | ||
| 2726 | 906 | 64 | None | -79 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 621 | 906 | 64 | None | -79 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 83 | 906 | 64 | None | -79 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL71 | 906 | 64 | None | -79 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB00477 | 906 | 64 | None | -79 | 72 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 2562 | 202893 | 47 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| CHEMBL1256696 | 202893 | 47 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| CHEMBL73234 | 202893 | 47 | None | -1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 333 | 10 | 0 | 4 | 3.4 | CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| 1225 | 1443 | 24 | None | -117 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 3958 | 1443 | 24 | None | -117 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 667477 | 1443 | 24 | None | -117 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| CHEMBL860 | 1443 | 24 | None | -117 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| DB01142 | 1443 | 24 | None | -117 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 279 | 3 | 0 | 2 | 4.0 | CN(CC/C=C\1/c2ccccc2OCc2c1cccc2)C | None | ||
| 103 | 4089 | 56 | None | -177 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 2875 | 4089 | 56 | None | -177 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 5736 | 4089 | 56 | None | -177 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| CHEMBL285802 | 4089 | 56 | None | -177 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| DB09225 | 4089 | 56 | None | -177 | 53 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 331 | 4 | 0 | 3 | 4.9 | CN(CCOC1=Cc2ccccc2Sc2c1cc(Cl)cc2)C | None | ||
| 4601 | 205020 | 29 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL1201023 | 205020 | 29 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| CHEMBL900 | 205020 | 29 | None | -2 | 17 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 269 | 6 | 0 | 2 | 3.7 | Cc1ccccc1C(OCCN(C)C)c1ccccc1 | None | ||
| 4976 | 201885 | 27 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL668 | 201885 | 27 | None | -1 | 11 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 4 | 1 | 1 | 4.3 | CNCCCC1c2ccccc2C=Cc2ccccc21 | None | ||
| 154059 | 3580 | 49 | None | -3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 2457 | 3580 | 49 | None | -3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 7483 | 3580 | 49 | None | -3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| CHEMBL1734 | 3580 | 49 | None | -3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| DB01591 | 3580 | 49 | None | -3 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | None | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | None | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 1224 | 1404 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 3100 | 1404 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 8980 | 1404 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 916 | 1404 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| CHEMBL657 | 1404 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| DB01075 | 1404 | 79 | None | -6 | 13 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 255 | 6 | 0 | 2 | 3.4 | CN(CCOC(c1ccccc1)c1ccccc1)C | None | ||
| 4543 | 169982 | 36 | None | -6 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL1201156 | 169982 | 36 | None | -6 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| CHEMBL445 | 169982 | 36 | None | -6 | 29 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 263 | 3 | 1 | 1 | 3.8 | CNCCC=C1c2ccccc2CCc2ccccc21 | None | ||
| 5284550 | 215977 | 0 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 3 | 0 | 2 | 4.7 | CN(C)CC\C=C1/C2=CC=CC=C2CSC2=CC=CC=C12 | None | ||
| 134688371 | 14306 | 10 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | None | ||
| 13765 | 14306 | 10 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | None | ||
| CHEMBL1200623 | 14306 | 10 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 288 | 1 | 1 | 1 | 5.1 | CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C | None | ||
| 134 | 2478 | 19 | 3H-QNB | -154 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2478 | 19 | 3H-QNB | -154 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2478 | 19 | 3H-QNB | -154 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2478 | 19 | 3H-QNB | -154 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2478 | 19 | 3H-QNB | -154 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1979 | 76973 | 66 | 3H-cAMP | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| CHEMBL20835 | 76973 | 66 | 3H-cAMP | -2 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 169 | 1 | 0 | 3 | 0.6 | CC(=O)OC1CN2CCC1CC2 | None | ||
| 2389 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 5073 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 96 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| CHEMBL85 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| DB00734 | 3279 | 114 | 3H-QNB | -2691 | 67 | Human | 5.2 | pKi | = | 5.2 | Binding | PDSP KiDatabase | 410 | 4 | 0 | 6 | 3.6 | Fc1ccc2c(c1)onc2C1CCN(CC1)CCc1c(C)nc2n(c1=O)CCCC2 | None | ||
| 6450478 | 214238 | 0 | 3H-QNB | -1 | 11 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 340 | 0 | 0 | 6 | 3.4 | CN1CCN(CC1)C2=NC3=CSC=C3C(=CC#N)C4=CSC=C42 | None | ||
| 135398745 | 2869 | 108 | 35S-GTPGammaS | -38 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 35S-GTPGammaS | -38 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 35S-GTPGammaS | -38 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 35S-GTPGammaS | -38 | 65 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3205 | 72 | 3H-NMS | -70 | 62 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-NMS | -70 | 62 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-NMS | -70 | 62 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-NMS | -70 | 62 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-NMS | -70 | 62 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 2337 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 50 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 5002 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| CHEMBL716 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| DB01224 | 3205 | 72 | 3H-QNB | -31 | 62 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 383 | 5 | 1 | 6 | 2.9 | OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 | None | ||
| 1712 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2456 | 0 | 3H-QNB | -5 | 21 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 277 | 1274 | 55 | 3H-QNB | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1274 | 55 | 3H-QNB | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1274 | 55 | 3H-QNB | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1274 | 55 | 3H-QNB | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1274 | 55 | 3H-QNB | -10 | 45 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2745 | 3800 | 39 | 3H-QNB | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-QNB | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-QNB | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-QNB | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-QNB | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-QNB | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 129894468 | 214335 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 609 | 2 | 2 | 7 | 6.7 | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC | None | ||
| 2801 | 161325 | 56 | None | -2 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL1200710 | 161325 | 56 | None | -2 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| CHEMBL415 | 161325 | 56 | None | -2 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 314 | 4 | 0 | 2 | 4.5 | CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21 | None | ||
| 1734 | 116 | 8 | 3H-NMS | -12 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 307 | 116 | 8 | 3H-NMS | -12 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| CHEMBL168067 | 116 | 8 | 3H-NMS | -12 | 12 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | None | ||
| 2745 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 5572 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 66007 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 7315 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| CHEMBL1490 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| DB00376 | 3800 | 39 | 3H-NMS | -46 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 301 | 5 | 1 | 2 | 4.3 | OC(c1ccccc1)(C1CCCCC1)CCN1CCCCC1 | None | ||
| 135398745 | 2869 | 108 | None | -38 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | None | -38 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | None | -38 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | None | -38 | 65 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 4212 | 197002 | 75 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| CHEMBL1417019 | 197002 | 75 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| CHEMBL58 | 197002 | 75 | None | 1 | 4 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 444 | 12 | 8 | 10 | -0.1 | O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21 | None | ||
| 73707487 | 214624 | 0 | None | 1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 355 | 3 | 1 | 4 | 2.5 | CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O.Br | None | ||
| 319 | 1297 | 39 | None | -18 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 321 | 1297 | 39 | None | -18 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 444031 | 1297 | 39 | None | -18 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 784 | 1297 | 39 | None | -18 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| CHEMBL1346 | 1297 | 39 | None | -18 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| DB00496 | 1297 | 39 | None | -18 | 9 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 44431387 | 86890 | 0 | UNDEFINED | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | None | ||
| CHEMBL233201 | 86890 | 0 | UNDEFINED | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 350 | 6 | 1 | 5 | 2.9 | CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1 | None | ||
| 1726 | 2461 | 12 | None | -3 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1993 | 2461 | 12 | None | -3 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 7438 | 2461 | 12 | None | -3 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| CHEMBL978 | 2461 | 12 | None | -3 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| DB06709 | 2461 | 12 | None | -3 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1726 | 2461 | 12 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 1993 | 2461 | 12 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 7438 | 2461 | 12 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| CHEMBL978 | 2461 | 12 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| DB06709 | 2461 | 12 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | None | ||
| 135398737 | 944 | 89 | None | -22 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | None | -22 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | None | -22 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | None | -22 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | None | -22 | 91 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 3042 | 1386 | 31 | None | -12 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 355 | 1386 | 31 | None | -12 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 868 | 1386 | 31 | None | -12 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| CHEMBL1123 | 1386 | 31 | None | -12 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| DB00804 | 1386 | 31 | None | -12 | 15 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | None | ||
| 135398737 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | None | -6 | 91 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 21855 | 83830 | 35 | None | -7 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | None | ||
| CHEMBL22108 | 83830 | 35 | None | -7 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 292 | 5 | 0 | 2 | 4.1 | CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1 | None | ||
| 62865 | 1248 | 0 | None | -6 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 746 | 1248 | 0 | None | -6 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 84 | 1248 | 0 | None | -6 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| CHEMBL2104153 | 1248 | 0 | None | -6 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| DB09000 | 1248 | 0 | None | -6 | 14 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 323 | 4 | 0 | 4 | 4.4 | N#Cc1ccc2c(c1)N(CC(CN(C)C)C)c1c(S2)cccc1 | None | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | None | ||
| 6472 | 201059 | 33 | None | -4 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| CHEMBL61946 | 201059 | 33 | None | -4 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 7 | 0 | 3 | 3.4 | CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 | None | ||
| 24096961 | 214337 | 0 | 3H-MQNB(-) | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 422 | 4 | 3 | 6 | 2.5 | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O | None | ||
| 319 | 1297 | 39 | None | -20 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 321 | 1297 | 39 | None | -20 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 444031 | 1297 | 39 | None | -20 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 784 | 1297 | 39 | None | -20 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| CHEMBL1346 | 1297 | 39 | None | -20 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| DB00496 | 1297 | 39 | None | -20 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | None | ||
| 124087 | 1362 | 106 | None | -6 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 7157 | 1362 | 106 | None | -6 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 814 | 1362 | 106 | None | -6 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| CHEMBL1172 | 1362 | 106 | None | -6 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| DB00967 | 1362 | 106 | None | -6 | 15 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 310 | 0 | 1 | 2 | 4.0 | Clc1ccc2c(c1)CCc1c(C2=C2CCNCC2)nccc1 | None | ||
| 1371 | 1892 | 0 | None | -4 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 24199 | 1892 | 0 | None | -4 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 323 | 1892 | 0 | None | -4 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| CHEMBL1201325 | 1892 | 0 | None | -4 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| DB06787 | 1892 | 0 | None | -4 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | None | ||
| 10921 | 12934 | 19 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | None | ||
| 2968 | 12934 | 19 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | None | ||
| CHEMBL1190 | 12934 | 19 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 258 | 11 | 0 | 0 | 3.5 | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C | None | ||
| 4919 | 204511 | 21 | None | -3 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| CHEMBL86715 | 204511 | 21 | None | -3 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 5 | 1 | 2 | 3.9 | OC(CCN1CCCC1)(c1ccccc1)C1CCCCC1 | None | ||
| 5648 | 78002 | 7 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| CHEMBL2107687 | 78002 | 7 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| CHEMBL2111176 | 78002 | 7 | None | -2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 306 | 9 | 0 | 2 | 3.8 | CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1 | None | ||
| 2270 | 3122 | 60 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| 4811 | 3122 | 60 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| 4913 | 3122 | 60 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| CHEMBL640 | 3122 | 60 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| DB01035 | 3122 | 60 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 235 | 6 | 2 | 3 | 1.3 | CCN(CCNC(=O)c1ccc(cc1)N)CC | None | ||
| 1712 | 2456 | 0 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 4078 | 2456 | 0 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 7227 | 2456 | 0 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| CHEMBL1088 | 2456 | 0 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| DB00933 | 2456 | 0 | None | -5 | 21 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 386 | 4 | 0 | 4 | 4.9 | CN1CCCCC1CCN1c2ccccc2Sc2c1cc(cc2)S(=O)C | None | ||
| 100 | 3745 | 52 | None | -19 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | None | -19 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | None | -19 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | None | -19 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | None | -19 | 55 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2286 | 3134 | 48 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 4927 | 3134 | 48 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 7282 | 3134 | 48 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| CHEMBL643 | 3134 | 48 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| DB01069 | 3134 | 48 | None | -3 | 29 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 284 | 3 | 0 | 3 | 4.2 | CN(C(CN1c2ccccc2Sc2c1cccc2)C)C | None | ||
| 154825138 | 214267 | 0 | 3H-PIRENZEPINE | -1 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 345 | 2 | 0 | 3 | 4.4 | CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C | None | ||
| 187 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 294 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 65 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 8593 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| CHEMBL667 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| DB03128 | 253 | 34 | 3H-MQNB(-) | -6 | 9 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | None | ||
| 279 | 1631 | 26 | 3H-QNB | -14 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 49381 | 1631 | 26 | 3H-QNB | -14 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| CHEMBL63756 | 1631 | 26 | 3H-QNB | -14 | 17 | Human | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 309 | 0 | 0 | 3 | 3.1 | CN1CCN(CC1)C1=Nc2cc(F)ccc2Cc2c1cccc2 | None | ||
| 1212 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 204 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| 3372 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| CHEMBL726 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| DB00623 | 1632 | 45 | 3H-QNB | -1380 | 65 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | None | ||
| None | 214504 | 0 | 3H-NMS | -5 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 311 | 3 | 1 | 2 | 3.9 | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O | None | ||
| 154734599 | 2467 | 8 | 3H-QNB | 1 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 327 | 2467 | 8 | 3H-QNB | 1 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 4108 | 2467 | 8 | 3H-QNB | 1 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| CHEMBL27673 | 2467 | 8 | 3H-QNB | 1 | 11 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | None | ||
| 135398745 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-QNB | -38 | 65 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 11976 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | 3H-QNB | -23 | 23 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -63 | 13 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 277 | 1274 | 55 | None | -10 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 2913 | 1274 | 55 | None | -10 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 765 | 1274 | 55 | None | -10 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| CHEMBL516 | 1274 | 55 | None | -10 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| DB00434 | 1274 | 55 | None | -10 | 45 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 287 | 0 | 0 | 1 | 4.7 | CN1CCC(=C2c3ccccc3C=Cc3c2cccc3)CC1 | None | ||
| 1427 | 1982 | 50 | None | 1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 1982 | 50 | None | 1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 1982 | 50 | None | 1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 1982 | 50 | None | 1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 1982 | 50 | None | 1 | 26 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 5831 | 214185 | 0 | None | -1 | 12 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 180 | 397 | 50 | None | -27 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 200 | 397 | 50 | None | -27 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2160 | 397 | 50 | None | -27 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL629 | 397 | 50 | None | -27 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00321 | 397 | 50 | None | -27 | 38 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | None | ||
| 2028 | 2931 | 77 | UNDEFINED | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | UNDEFINED | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | UNDEFINED | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | UNDEFINED | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | UNDEFINED | -8 | 11 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 1086 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| 3290 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| 7181 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| CHEMBL1206 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| DB00392 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | None | ||
| 4904 | 215997 | 0 | None | -1 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 1 | 2 | 3.8 | OC(CCN1CCCCC1)(C1=CC=CC=C1)C1=CC=CC=C1 | None | ||
| 2028 | 2931 | 77 | None | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 359 | 2931 | 77 | None | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 4634 | 2931 | 77 | None | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| CHEMBL1231 | 2931 | 77 | None | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| DB01062 | 2931 | 77 | None | -5 | 11 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | None | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 360 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 5831 | 214185 | 0 | None | -190 | 12 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 182 | 3 | 1 | 2 | -3.2 | C[N+](C)(C)CCOC(=O)N.[Cl-] | None | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | None | ||
| 1201549 | 590 | 22 | None | -3 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 590 | 22 | None | -3 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 590 | 22 | None | -3 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 590 | 22 | None | -3 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 590 | 22 | None | -3 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 590 | 22 | None | -3 | 20 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 24835791 | 214334 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 4 | 1 | 3 | 3.3 | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 | None | ||
| 44431386 | 148493 | 0 | UNDEFINED | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | None | ||
| CHEMBL394255 | 148493 | 0 | UNDEFINED | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 332 | 5 | 1 | 5 | 2.1 | CN(C)C1(CNCC=C2CCOCC2)COc2ccccc2OC1 | None | ||
| 25897919 | 55363 | 11 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 657309 | 55363 | 11 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1464005 | 55363 | 11 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1621597 | 55363 | 11 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 1201549 | 590 | 22 | None | -5 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 333 | 590 | 22 | None | -5 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 7601 | 590 | 22 | None | -5 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1201203 | 590 | 22 | None | -5 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL438151 | 590 | 22 | None | -5 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| DB00245 | 590 | 22 | None | -5 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | None | ||
| 11968014 | 12649 | 4 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| CHEMBL1187846 | 12649 | 4 | None | -4 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 303 | 4 | 1 | 5 | 0.9 | CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H]1O[C@H]12 | None | ||
| 24835791 | 214334 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 362 | 4 | 1 | 3 | 3.3 | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 | None | ||
| 123134663 | 216005 | 0 | None | -1 | 3 | Dog | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 330 | 2 | 0 | 2 | 5.4 | C[N@+]12CCCC[C@@H]1CCC(C2)=C(C1=CC=CS1)C1=CC=CS1 | None | ||
| 12057539 | 206301 | 39 | None | -2 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | None | -2 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | None | -2 | 20 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 135398737 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 38 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 722 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| CHEMBL42 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| DB00363 | 944 | 89 | 3H-QNB | -22 | 91 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 0 | 1 | 4 | 3.7 | CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2c1cccc2 | None | ||
| 100 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 2637 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 5452 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| CHEMBL479 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| DB00679 | 3745 | 52 | 3H-QNB | -19 | 55 | Human | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | None | ||
| 1427 | 1982 | 50 | 3H-QNB | 1 | 26 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 357 | 1982 | 50 | 3H-QNB | 1 | 26 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 3696 | 1982 | 50 | 3H-QNB | 1 | 26 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| CHEMBL11 | 1982 | 50 | 3H-QNB | 1 | 26 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| DB00458 | 1982 | 50 | 3H-QNB | 1 | 26 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | None | ||
| 25897919 | 55363 | 11 | None | -4 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 657309 | 55363 | 11 | None | -4 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1464005 | 55363 | 11 | None | -4 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL1621597 | 55363 | 11 | None | -4 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 332 | 5 | 1 | 3 | 2.9 | CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | None | -2 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | None | -2 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | None | -2 | 20 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 10470 | 2453 | 5 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | None | ||
| 1689 | 2453 | 5 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | None | ||
| 4057 | 2453 | 5 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | None | ||
| CHEMBL524004 | 2453 | 5 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | None | ||
| DB04843 | 2453 | 5 | None | -4 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | None | ||
| 11693 | 1797 | 12 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 3494 | 1797 | 12 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 4302 | 1797 | 12 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 7459 | 1797 | 12 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| CHEMBL1201335 | 1797 | 12 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| DB00986 | 1797 | 12 | None | -2 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 3 | 2.5 | O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C | None | ||
| 154417 | 92828 | 57 | None | -9 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | None | ||
| CHEMBL2449003 | 92828 | 57 | None | -9 | 10 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2 | None | ||
| 12057539 | 206301 | 39 | None | -17 | 20 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 3661 | 206301 | 39 | None | -17 | 20 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| CHEMBL9751 | 206301 | 39 | None | -17 | 20 | Mouse | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 289 | 4 | 1 | 4 | 1.9 | CN1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2 | None | ||
| 2293 | 3137 | 23 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 329 | 3137 | 23 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 4934 | 3137 | 23 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| CHEMBL1180725 | 3137 | 23 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| DB00782 | 3137 | 23 | None | -2 | 4 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | None | ||
| 10129 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 11753673 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 5303 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| CHEMBL3833319 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| DB11855 | 3270 | 0 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | None | ||
| 316 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 317 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 71183 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3140030 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL376897 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB00462 | 2793 | 14 | None | -6 | 9 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 318 | 4 | 1 | 4 | 1.1 | OC[C@H](c1ccccc1)C(=O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 367 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 5487427 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 8592 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL1900528 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL3305968 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| CHEMBL4650755 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| DB01409 | 3764 | 8 | None | -22 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | None | ||
| 11519069 | 3876 | 2 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 11519070 | 3876 | 2 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 4816 | 3876 | 2 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 7354 | 3876 | 2 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| CHEMBL1187833 | 3876 | 2 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| DB09076 | 3876 | 2 | None | -1 | 5 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | None | ||
| 44431367 | 87554 | 0 | UNDEFINED | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | None | ||
| CHEMBL234252 | 87554 | 0 | UNDEFINED | -4 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 326 | 6 | 1 | 4 | 2.6 | CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1 | None | ||
| 2200 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 328 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 4848 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| CHEMBL9967 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| DB00670 | 3082 | 38 | 3H-NMS | -70 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | None | ||
| 24835791 | 214334 | 0 | 3H-MQNB(-) | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 362 | 4 | 1 | 3 | 3.3 | C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=CC=C4 | None | ||
| 11954224 | 214174 | 0 | 3H-QNB | -1047 | 59 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 46780481 | 107045 | 18 | 3H-NMS | -436 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | 3H-NMS | -436 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | 3H-NMS | -436 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | 3H-NMS | -436 | 53 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 135398745 | 2869 | 108 | 3H-NMS | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 135398745 | 2869 | 108 | 3H-NMSP | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-NMS | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 47 | 2869 | 108 | 3H-NMSP | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-NMS | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| CHEMBL715 | 2869 | 108 | 3H-NMSP | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-NMS | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| DB00334 | 2869 | 108 | 3H-NMSP | -38 | 65 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 312 | 1 | 1 | 5 | 1.7 | CN1CCN(CC1)C1=c2cc(sc2=Nc2c(N1)cccc2)C | None | ||
| 129894468 | 214335 | 0 | 3H-MQNB(-) | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | PDSP KiDatabase | 609 | 2 | 2 | 7 | 6.7 | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC | None | ||
| 10104 | 3510 | 7 | None | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| 6604866 | 3510 | 7 | None | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| CHEMBL1493369 | 3510 | 7 | None | 2 | 6 | Human | 7.5 | pKi | = | 7.5 | Binding | Guide to Pharmacology | 292 | 5 | 0 | 2 | 4.1 | CN(CCC1=C([C@@H](c2ccccn2)C)c2c(C1)cccc2)C | 12593665 | ||
| 10129 | 3270 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 11753673 | 3270 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 5303 | 3270 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| CHEMBL3833319 | 3270 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| DB11855 | 3270 | 0 | None | -1 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 597 | 10 | 2 | 6 | 4.8 | O=C(Nc1ccccc1c1ccccc1)OC1CCN(CC1)CCN(C(=O)c1ccc(cc1)CN1CCC(CC1)C(=O)N)C | 29736245 | ||
| 1201549 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| 333 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| 7601 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| CHEMBL1201203 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| CHEMBL438151 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| DB00245 | 590 | 22 | None | -3 | 20 | Rat | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 307 | 4 | 0 | 2 | 4.4 | CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1 | 7562926 | ||
| 1086 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| 3290 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| 7181 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| CHEMBL1206 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| DB00392 | 1560 | 0 | None | -1 | 2 | Rat | 8.1 | pKi | = | 8.1 | Binding | Guide to Pharmacology | 312 | 5 | 0 | 3 | 5.0 | CCN(C(CN1c2ccccc2Sc2c1cccc2)C)CC | 2904117 | ||
| 123603 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 2684 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 584 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 9658 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| CHEMBL168815 | 870 | 25 | None | 1 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | Guide to Pharmacology | 199 | 0 | 0 | 3 | 1.6 | CC1SCC2(O1)CN1CCC2CC1 | 9399977 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 367 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 5487427 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| 8592 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL1900528 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL3305968 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| CHEMBL4650755 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 19653626 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 21036042 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 22854200 | ||
| DB01409 | 3764 | 8 | None | -2 | 8 | Human | 10.3 | pKi | = | 10.3 | Binding | Guide to Pharmacology | 392 | 4 | 1 | 6 | 2.3 | O=C(C(c1cccs1)(c1cccs1)O)OC1C[C@@H]2[C@@H]3[C@H]([C@H](C1)[N+]2(C)C)O3 | 8441333 | ||
| 8598 | 1246 | 0 | None | -1 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | Guide to Pharmacology | 1053 | 16 | 2 | 11 | 9.9 | O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 23357106 | ||
| 91827377 | 1246 | 0 | None | -1 | 2 | Human | 10.4 | pKi | = | 10.4 | Binding | Guide to Pharmacology | 1053 | 16 | 2 | 11 | 9.9 | O=C(Cc1ccc2c(c1)C(C)(C)C1=C3C=C4C(OC3CCN21)CC[N+]1=C4C(C)(C)c2c1ccc(c2)S([O-])([O-])[O-])NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 23357106 | ||
| 2370 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 2370 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 297 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 297 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 358 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| 358 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| CHEMBL1482 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| CHEMBL1482 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| DB01019 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 7620715 | ||
| DB01019 | 616 | 30 | None | -1 | 5 | Human | 4.0 | pKi | = | 4 | Binding | Guide to Pharmacology | 161 | 3 | 1 | 2 | 0.2 | CC(C[N+](C)(C)C)OC(=O)N | 9224827 | ||
| 2166 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 2166 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 305 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 305 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 5910 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| 5910 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| CHEMBL550 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| CHEMBL550 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| DB01085 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 7620715 | ||
| DB01085 | 3074 | 46 | None | -2238 | 8 | Human | 4.9 | pKi | = | 4.9 | Binding | Guide to Pharmacology | 208 | 3 | 0 | 4 | 1.2 | CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C | 9224827 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 2551 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 298 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 488 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| CHEMBL965 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 12235229 | ||
| DB00411 | 782 | 23 | None | -6 | 11 | Human | 5.0 | pKi | = | 5.0 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| 2230 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| 296 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| CHEMBL7303 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 32717485 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 7620715 | ||
| DB04365 | 461 | 55 | None | -75 | 10 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 155 | 1 | 0 | 3 | 0.4 | COC(=O)C1=CCCN(C1)C | 9224827 | ||
| 129786 | 1860 | 0 | None | -141 | 4 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 8813552 | ||
| 3276 | 1860 | 0 | None | -141 | 4 | Rat | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 379 | 2 | 3 | 5 | 0.8 | NC(=N)N1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 8813552 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 187 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 294 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 65 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| 8593 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| CHEMBL667 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 12235229 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 23798605 | ||
| DB03128 | 253 | 34 | None | 6 | 9 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9224827 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| 302 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| 4630 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 7620715 | ||
| CHEMBL7634 | 2929 | 23 | None | -34 | 7 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9224827 | ||
| 24768606 | 3967 | 51 | None | -39 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 3274 | 3967 | 51 | None | -39 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| CHEMBL1628667 | 3967 | 51 | None | -39 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 432 | 6 | 1 | 8 | 1.1 | O=C(N1CCN(CC1)c1ccncc1)CCNS(=O)(=O)c1cccc2c1nsn2 | 19407080 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 16188951 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 2200 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 16188951 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 328 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 16188951 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| 4848 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 16188951 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| CHEMBL9967 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 12049493 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 16188951 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1994002 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2043926 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2704370 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 7925952 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9113359 | ||
| DB00670 | 3082 | 38 | None | -70 | 13 | Human | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 12815174 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 30213802 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 107867 | 2927 | 48 | None | 2 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| 107867 | 2927 | 48 | None | 2 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9454790 | ||
| 309 | 2927 | 48 | None | 2 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| 309 | 2927 | 48 | None | 2 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9454790 | ||
| CHEMBL17045 | 2927 | 48 | None | 2 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2704370 | ||
| CHEMBL17045 | 2927 | 48 | None | 2 | 10 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9454790 | ||
| 5282426 | 1438 | 0 | None | -27 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 7549 | 1438 | 0 | None | -27 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| CHEMBL108947 | 1438 | 0 | None | -27 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | Guide to Pharmacology | 295 | 3 | 0 | 2 | 4.7 | CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C | 8100134 | ||
| 154059 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| 154059 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 2457 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| 2457 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 7483 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| 7483 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| CHEMBL1734 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| CHEMBL1734 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| DB01591 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 12122494 | ||
| DB01591 | 3580 | 49 | None | -12 | 8 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 362 | 2 | 0 | 3 | 3.9 | O=C(N1CCc2c([C@@H]1c1ccccc1)cccc2)O[C@H]1CN2CCC1CC2 | 20590605 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 3652 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 57 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| 60809 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| CHEMBL21536 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 10323594 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 36782010 | ||
| DB15357 | 4034 | 72 | None | -18 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 281 | 7 | 0 | 5 | 3.2 | CCCCCCOc1nsnc1C1=CCCN(C1)C | 9884068 | ||
| 2774 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| 5593 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| 7319 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| CHEMBL1200604 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| DB00809 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| DB01199 | 3807 | 92 | None | -1 | 10 | Human | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 284 | 6 | 1 | 3 | 2.2 | CCN(C(=O)C(c1ccccc1)CO)Cc1ccncc1 | 27085897 | ||
| 1726 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 1726 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 1993 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 1993 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 7438 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| 7438 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| CHEMBL978 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| CHEMBL978 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| DB06709 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 7620715 | ||
| DB06709 | 2461 | 12 | None | -3 | 5 | Rat | 7.2 | pKi | = | 7.2 | Binding | Guide to Pharmacology | 160 | 3 | 0 | 2 | 0.6 | CC(C[N+](C)(C)C)OC(=O)C | 9622546 | ||
| 319 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 319 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 319 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 321 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 321 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 321 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 444031 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 444031 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 444031 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 784 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| 784 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| 784 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| CHEMBL1346 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| CHEMBL1346 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| CHEMBL1346 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| DB00496 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 11303071 | ||
| DB00496 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 20590605 | ||
| DB00496 | 1297 | 39 | None | -20 | 9 | Human | 7.3 | pKi | = | 7.3 | Binding | Guide to Pharmacology | 426 | 7 | 1 | 3 | 4.0 | NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2 | 9671109 | ||
| 129140 | 3871 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 2043926 | ||
| 129140 | 3871 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | ||
| 8583 | 3871 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 2043926 | ||
| 8583 | 3871 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | Guide to Pharmacology | 383 | 2 | 1 | 3 | 4.3 | CN1CCC(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1c(Cl)ccc2 | 9671109 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 16188951 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 154734599 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 16188951 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 327 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 16188951 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| 4108 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 16188951 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 1994002 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 2704370 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 8759038 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9113359 | ||
| CHEMBL27673 | 2467 | 8 | None | 1 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| 180 | 397 | 50 | None | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 200 | 397 | 50 | None | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2160 | 397 | 50 | None | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| CHEMBL629 | 397 | 50 | None | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| DB00321 | 397 | 50 | None | -27 | 38 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 277 | 3 | 0 | 1 | 4.2 | CN(CCC=C1c2ccccc2CCc2c1cccc2)C | 8100134 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 2028 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 359 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| 4634 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| CHEMBL1231 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 20590605 | ||
| DB01062 | 2931 | 77 | None | -8 | 11 | Human | 8.0 | pKi | = | 8 | Binding | Guide to Pharmacology | 357 | 7 | 1 | 4 | 3.3 | CCN(CC#CCOC(=O)C(c1ccccc1)(C1CCCCC1)O)CC | 22243489 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 9454790 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 9454790 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1331410 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 1994002 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 7925952 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 9454790 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 119357 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 3264 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| 368 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 1994002 | ||
| CHEMBL279453 | 301 | 42 | None | 1 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 478 | 9 | 2 | 5 | 4.5 | CCCN(CC1CCCCN1CCNC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CCC | 27085897 | ||
| 1734 | 116 | 8 | None | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 307 | 116 | 8 | None | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| CHEMBL168067 | 116 | 8 | None | -9 | 12 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1994002 | ||
| 129989 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| 129989 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 8584 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| 8584 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| CHEMBL43383 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1994002 | ||
| CHEMBL43383 | 447 | 41 | None | -1 | 9 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 463 | 9 | 1 | 5 | 4.5 | CCN(CCCCC1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9671109 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 2705 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 360 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| 443879 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| CHEMBL1382 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 20590605 | ||
| DB01036 | 3781 | 59 | None | -1 | 10 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 325 | 7 | 1 | 2 | 5.3 | Cc1ccc(c(c1)[C@@H](c1ccccc1)CCN(C(C)C)C(C)C)O | 9671109 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| 174174 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| 260 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| 320 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| CHEMBL517712 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 11303071 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 12049493 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 27085897 | ||
| DB00572 | 519 | 46 | None | -7 | 14 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 3443095 | ||
| 8586 | 298 | 0 | None | -19 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 336 | 5 | 2 | 3 | 1.8 | CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2 | 20590605 | ||
| 9862598 | 298 | 0 | None | -19 | 4 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | 336 | 5 | 2 | 3 | 1.8 | CN(C(=O)C(c1ccccc1)(c1ccccc1)O)C[C@@H]1[C@H]2[C@@H]1CNC2 | 20590605 | ||
| 3000322 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| 3000322 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| 330 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| 330 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| CHEMBL569713 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| CHEMBL569713 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| DB00747 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 12049493 | ||
| DB00747 | 3506 | 0 | None | -5 | 5 | Human | 8.7 | pKi | = | 8.7 | Binding | Guide to Pharmacology | 303 | 4 | 1 | 5 | 0.9 | OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2N([C@@H](C1)[C@H]1[C@@H]2O1)C | 1346637 | ||
| 8600 | 339 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 1025 | 18 | 4 | 16 | 4.7 | O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 23357106 | ||
| 91827379 | 339 | 0 | None | -3 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 1025 | 18 | 4 | 16 | 4.7 | O=C(c1ccc(c(c1)C(=O)[O-])c1c2ccc(c(c2oc2c1ccc(=[NH2+])c2S([O-])([O-])[O-])S([O-])([O-])[O-])N)NCCCCCCCCCCN1CCN(CC1)CC(=O)n1c2ccccc2[nH]c(=O)c2c1c(C)sc2 | 23357106 | ||
| 30843 | 1375 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 354 | 1375 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 831 | 1375 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| CHEMBL1908364 | 1375 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| DB08997 | 1375 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 10470 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 24844758 | ||
| 1689 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 24844758 | ||
| 4057 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 24844758 | ||
| CHEMBL524004 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 24844758 | ||
| DB04843 | 2453 | 5 | None | -4 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | Guide to Pharmacology | 340 | 4 | 1 | 3 | 2.7 | O=C(C(c1ccccc1)(c1ccccc1)O)OC1CCC[N+](C1)(C)C | 24844758 | ||
| 2293 | 3137 | 23 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 329 | 3137 | 23 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 4934 | 3137 | 23 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| CHEMBL1180725 | 3137 | 23 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| DB00782 | 3137 | 23 | None | -2 | 4 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 368 | 6 | 0 | 3 | 4.7 | O=C(C1c2ccccc2Oc2c1cccc2)OCC[N+](C(C)C)(C(C)C)C | 12049493 | ||
| 11354367 | 3756 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 668 | 19 | 1 | 6 | 7.1 | CCCN(C1CCN(CC1)Cc1c(OC)cccc1OC)CCCCCCCN1CC[C@H](C1)C(c1ccccc1)(c1ccccc1)C(=O)N | 17478612 | ||
| 3255 | 3756 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | Guide to Pharmacology | 668 | 19 | 1 | 6 | 7.1 | CCCN(C1CCN(CC1)Cc1c(OC)cccc1OC)CCCCCCCN1CC[C@H](C1)C(c1ccccc1)(c1ccccc1)C(=O)N | 17478612 | ||
| 325 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 325 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| 3746 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 3746 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| 657308 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| 657308 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| CHEMBL1615433 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| CHEMBL1615433 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| DB00332 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 11303071 | ||
| DB00332 | 2031 | 0 | None | -3 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 332 | 5 | 1 | 3 | 2.9 | OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)C(C)C | 19653626 | ||
| 132947 | 3803 | 8 | None | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| 361 | 3803 | 8 | None | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| CHEMBL265256 | 3803 | 8 | None | 1 | 9 | Human | 9.6 | pKi | = | 9.6 | Binding | Guide to Pharmacology | 1124 | 29 | 4 | 13 | 10.2 | CN(CCCCCCNCC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CCCCCCCCN(CCCCCCN(CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)CC(=O)n1c2ncccc2[nH]c(=O)c2c1cccc2)C | 7805774 | ||
| 11519069 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 11519069 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 11519070 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 11519070 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 4816 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 4816 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 7354 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| 7354 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| CHEMBL1187833 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| CHEMBL1187833 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| DB09076 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 19317446 | ||
| DB09076 | 3876 | 2 | None | -1 | 5 | Human | 9.8 | pKi | = | 9.8 | Binding | Guide to Pharmacology | 428 | 8 | 1 | 2 | 5.1 | OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1 | 23435542 | ||
| 42519285 | 2540 | 11 | None | -60 | 5 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| 8591 | 2540 | 11 | None | -60 | 5 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| CHEMBL3185781 | 2540 | 11 | None | -60 | 5 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 379 | 7 | 0 | 6 | 3.7 | CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C | 24692176 | ||
| 314 | 2653 | 0 | None | -1122018 | 5 | Human | 5.0 | pKi | > | 5 | Binding | Guide to Pharmacology | None | None | None | None | 10799315 | ||||
| 313 | 2652 | 0 | None | -407 | 6 | Human | 6.0 | pKi | > | 6 | Binding | Guide to Pharmacology | None | None | None | None | 7925952 | ||||
| 134 | 2478 | 19 | None | -154 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 1775 | 2478 | 19 | None | -154 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 9681 | 2478 | 19 | None | -154 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| CHEMBL1065 | 2478 | 19 | None | -154 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| DB00247 | 2478 | 19 | None | -154 | 67 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 353 | 4 | 2 | 4 | 1.9 | CC[C@H](NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)cn3C)CO | None | ||
| 2865 | 4079 | 67 | None | -1659 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 59 | 4079 | 67 | None | -1659 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 60854 | 4079 | 67 | None | -1659 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| CHEMBL708 | 4079 | 67 | None | -1659 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| DB00246 | 4079 | 67 | None | -1659 | 53 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 412 | 4 | 1 | 5 | 3.8 | O=C1Nc2c(C1)cc(c(c2)Cl)CCN1CCN(CC1)c1nsc2c1cccc2 | None | ||
| 3337 | 214441 | 0 | None | -120 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 65801 | 214441 | 0 | None | -120 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 66264 | 214441 | 0 | None | -120 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 91452 | 214441 | 0 | None | -120 | 40 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 231 | 4 | 1 | 1 | 3.2 | CCNC(C)CC1=CC(=CC=C1)C(F)(F)F | None | ||
| 46780481 | 107045 | 18 | None | -436 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 9903970 | 107045 | 18 | None | -436 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3187365 | 107045 | 18 | None | -436 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| CHEMBL3544974 | 107045 | 18 | None | -436 | 53 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 285 | 0 | 0 | 2 | 4.3 | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 | None | ||
| 11954224 | 214174 | 0 | None | -1047 | 59 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 581 | 4 | 3 | 6 | 2.0 | CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C | None | ||
| 3012003 | 214377 | 0 | None | -1 | 12 | Human | 8.2 | pKi | None | 8.2 | Binding | Drug Central | 311 | 5 | 0 | 3 | 3.8 | CN1CCC(C(C1)COC2=CC=C(C=C2)OC)C3=CC=CC=C3 | None | ||
| 2895 | 201898 | 35 | None | -1 | 8 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
| CHEMBL669 | 201898 | 35 | None | -1 | 8 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 275 | 3 | 0 | 1 | 4.6 | CN(C)CCC=C1c2ccccc2C=Cc2ccccc21 | None | ||
| 11976 | 907 | 54 | None | -23 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 667467 | 907 | 54 | None | -23 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| CHEMBL908 | 907 | 54 | None | -23 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| DB01239 | 907 | 54 | None | -23 | 23 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 315 | 3 | 0 | 2 | 5.2 | CN(C)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)Cl | None | ||
| 4066 | 202920 | 72 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| CHEMBL73451 | 202920 | 72 | None | -1 | 7 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 322 | 2 | 0 | 3 | 4.6 | c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2 | None | ||
| 24096961 | 214337 | 0 | None | - | 1 | Human | 8.1 | pKi | None | 8.1 | Binding | Drug Central | 422 | 4 | 3 | 6 | 2.5 | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O | None | ||
| 11757797 | 2799 | 0 | None | 1 | 5 | Human | 10.1 | pKi | None | 10.1 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 292 | 2799 | 0 | None | 1 | 5 | Human | 10.1 | pKi | None | 10.1 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 10938 | 1672 | 0 | None | 1 | 4 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 299 | 1672 | 0 | None | 1 | 4 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 3256 | 1672 | 0 | None | 1 | 4 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| CHEMBL2110739 | 1672 | 0 | None | 1 | 4 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 140 | 2 | 0 | 1 | 1.5 | C[N+](Cc1ccco1)(C)C | 9224827 | ||
| 30844 | 2278 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 358 | 2278 | 0 | None | -1 | 2 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 300 | 2474 | 13 | None | 1 | 5 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| 4141 | 2474 | 13 | None | 1 | 5 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| CHEMBL92387 | 2474 | 13 | None | 1 | 5 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 154 | 2 | 0 | 1 | 1.8 | Cc1ccc(o1)C[N+](C)(C)C | 9224827 | ||
| 303 | 2930 | 16 | None | -1 | 6 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 4629 | 2930 | 16 | None | -1 | 6 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 8595 | 2930 | 16 | None | -1 | 6 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| CHEMBL44674 | 2930 | 16 | None | -1 | 6 | Human | 4.9 | pKi | None | 4.9 | Binding | Guide to Pharmacology | 195 | 2 | 0 | 1 | 0.3 | O=C1CCCN1CC#CC[N+](C)(C)C | 9224827 | ||
| 30844 | 2278 | 0 | None | 1 | 2 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 358 | 2278 | 0 | None | 1 | 2 | Human | 5.0 | pKi | None | 5 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 290 | 2438 | 4 | None | -12 | 7 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| 4022 | 2438 | 4 | None | -12 | 7 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| 5926 | 2438 | 4 | None | -12 | 7 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| CHEMBL40554 | 2438 | 4 | None | -12 | 7 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| CHEMBL74300 | 2438 | 4 | None | -12 | 7 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 316 | 3 | 1 | 2 | -0.4 | O=C(Nc1cccc(c1)Cl)OCC#CC[N+](C)(C)C.[Cl-] | 7680092 | ||
| 22991950 | 2297 | 0 | None | -3 | 6 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | ||
| 326 | 2297 | 0 | None | -3 | 6 | Human | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 448 | 7 | 2 | 2 | 5.9 | OC(C[N+](C)(C)C)CCCC(C1CCC2C1(C)CCC1C2CCC2C1(C)CCC(C2)O)C | 12235229 | ||
| 1273 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 3450 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 356 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 6172 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 67425 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| CHEMBL360055 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| DB00483 | 1724 | 14 | None | -1 | 3 | Rat | 5.6 | pKi | None | 5.6 | Binding | Guide to Pharmacology | 510 | 21 | 0 | 3 | 5.5 | CC[N+](CCOc1c(OCC[N+](CC)(CC)CC)cccc1OCC[N+](CC)(CC)CC)(CC)CC | 9454790 | ||
| 2229 | 460 | 17 | None | 1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| 295 | 460 | 17 | None | 1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| CHEMBL128365 | 460 | 17 | None | 1 | 5 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 179 | 2 | 0 | 3 | 0.4 | CN1CC(=CCC1)C(=O)OCC#C | 9224827 | ||
| 2551 | 782 | 23 | None | -3 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 298 | 782 | 23 | None | -3 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 488 | 782 | 23 | None | -3 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9454790 | ||
| CHEMBL965 | 782 | 23 | None | -3 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9454790 | ||
| DB00411 | 782 | 23 | None | -3 | 11 | Rat | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | 147 | 3 | 1 | 2 | -0.2 | NC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2846274 | ||
| 107867 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9454790 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2846274 | ||
| 309 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9454790 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 1325587 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 2846274 | ||
| CHEMBL17045 | 2927 | 48 | None | -14 | 10 | Rat | 6.0 | pKi | None | 6.0 | Binding | Guide to Pharmacology | 421 | 6 | 1 | 5 | 3.5 | CCN(CC1CCCCN1CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2)CC | 9454790 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2846274 | ||
| 2200 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2846274 | ||
| 328 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2846274 | ||
| 4848 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2846274 | ||
| CHEMBL9967 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 1325587 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 2846274 | ||
| DB00670 | 3082 | 38 | None | -63 | 13 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 351 | 2 | 1 | 5 | 1.6 | CN1CCN(CC1)CC(=O)n1c2ccccc2c(=O)[nH]c2c1nccc2 | 9454790 | ||
| 308 | 2029 | 20 | None | -11 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| 308 | 2029 | 20 | None | -11 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 3603 | 2029 | 20 | None | -11 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| 3603 | 2029 | 20 | None | -11 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| CHEMBL1256682 | 2029 | 20 | None | -11 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 12049493 | ||
| CHEMBL1256682 | 2029 | 20 | None | -11 | 9 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 349 | 6 | 1 | 2 | 4.2 | Fc1ccc(cc1)[Si](C1CCCCC1)(CCCN1CCCCC1)O | 8759038 | ||
| 187 | 253 | 34 | None | -6 | 9 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 294 | 253 | 34 | None | -6 | 9 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 65 | 253 | 34 | None | -6 | 9 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 8593 | 253 | 34 | None | -6 | 9 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9454790 | ||
| CHEMBL667 | 253 | 34 | None | -6 | 9 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9454790 | ||
| DB03128 | 253 | 34 | None | -6 | 9 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 146 | 3 | 0 | 2 | 0.3 | CC(=O)OCC[N+](C)(C)C | 9454790 | ||
| 302 | 2929 | 23 | None | -4 | 7 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9454790 | ||
| 4630 | 2929 | 23 | None | -4 | 7 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9454790 | ||
| CHEMBL7634 | 2929 | 23 | None | -4 | 7 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 206 | 2 | 0 | 2 | 0.7 | O=C1CCCN1CC#CCN1CCCC1 | 9454790 | ||
| 3042 | 1386 | 31 | None | -28 | 15 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 2704370 | ||
| 355 | 1386 | 31 | None | -28 | 15 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 2704370 | ||
| 868 | 1386 | 31 | None | -28 | 15 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 2704370 | ||
| CHEMBL1123 | 1386 | 31 | None | -28 | 15 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 2704370 | ||
| DB00804 | 1386 | 31 | None | -28 | 15 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | 309 | 7 | 0 | 3 | 4.4 | CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC | 2704370 | ||
| 310 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 310 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 310 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 9454790 | ||
| 3602 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 3602 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| 3602 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 9454790 | ||
| CHEMBL3545990 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| CHEMBL3545990 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 8759038 | ||
| CHEMBL3545990 | 1891 | 0 | None | -56 | 11 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 9454790 | ||
| 124226 | 1890 | 0 | None | -19 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 322 | 1890 | 0 | None | -19 | 5 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 315 | 6 | 1 | 2 | 4.7 | OC(c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 2704370 | ||
| 310 | 1891 | 0 | None | -25 | 11 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 310 | 1891 | 0 | None | -25 | 11 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 9454790 | ||
| 3602 | 1891 | 0 | None | -25 | 11 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| 3602 | 1891 | 0 | None | -25 | 11 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 9454790 | ||
| CHEMBL3545990 | 1891 | 0 | None | -25 | 11 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 1325587 | ||
| CHEMBL3545990 | 1891 | 0 | None | -25 | 11 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 331 | 6 | 1 | 2 | 4.0 | O[Si](c1ccccc1)(C1CCCCC1)CCCN1CCCCC1 | 9454790 | ||
| 1427 | 1982 | 50 | None | 1 | 26 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 9454790 | ||
| 357 | 1982 | 50 | None | 1 | 26 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 9454790 | ||
| 3696 | 1982 | 50 | None | 1 | 26 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 9454790 | ||
| CHEMBL11 | 1982 | 50 | None | 1 | 26 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 9454790 | ||
| DB00458 | 1982 | 50 | None | 1 | 26 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 280 | 4 | 0 | 2 | 3.9 | CN(CCCN1c2ccccc2CCc2c1cccc2)C | 9454790 | ||
| 10259588 | 4016 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 604 | 12 | 0 | 8 | 2.6 | O=C1N(CO/N=C\c2cc[n+](cc2)CCC[n+]2ccc(cc2)/C=N\OCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2 | 12815174 | ||
| 363 | 4016 | 0 | None | - | 1 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | 604 | 12 | 0 | 8 | 2.6 | O=C1N(CO/N=C\c2cc[n+](cc2)CCC[n+]2ccc(cc2)/C=N\OCN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2 | 12815174 | ||
| 10426487 | 2798 | 4 | None | -3 | 5 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 291 | 2798 | 4 | None | -3 | 5 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| CHEMBL99521 | 2798 | 4 | None | -3 | 5 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 325 | 3 | 0 | 5 | 2.8 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1ccccc1 | 11504829 | ||
| 154734599 | 2467 | 8 | None | -1 | 11 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| 327 | 2467 | 8 | None | -1 | 11 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| 4108 | 2467 | 8 | None | -1 | 11 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| CHEMBL27673 | 2467 | 8 | None | -1 | 11 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 582 | 29 | 4 | 6 | 7.2 | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC | 9454790 | ||
| 130169 | 3548 | 0 | None | -26 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 331 | 3548 | 0 | None | -26 | 5 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 333 | 4 | 1 | 2 | 2.1 | C[N+]1(C)CCN(CC1)C[Si](c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 1371 | 1892 | 0 | None | -4 | 5 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 24199 | 1892 | 0 | None | -4 | 5 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 323 | 1892 | 0 | None | -4 | 5 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| CHEMBL1201325 | 1892 | 0 | None | -4 | 5 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| DB06787 | 1892 | 0 | None | -4 | 5 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 317 | 4 | 1 | 2 | 2.8 | C[N+]1(C)CCN(CC1)CC(c1ccccc1)(C1CCCCC1)O | 2704370 | ||
| 167962 | 4006 | 3 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 12815174 | ||
| 362 | 4006 | 3 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 12815174 | ||
| CHEMBL31599 | 4006 | 3 | None | - | 1 | Human | 7.6 | pKi | None | 7.6 | Binding | Guide to Pharmacology | 548 | 15 | 0 | 4 | 4.1 | O=C1N(CCC[N+](CCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2 | 12815174 | ||
| 324 | 1894 | 12 | None | -1 | 9 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 9454790 | ||
| 6436265 | 1894 | 12 | None | -1 | 9 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 9454790 | ||
| CHEMBL277642 | 1894 | 12 | None | -1 | 9 | Rat | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 345 | 2 | 0 | 3 | 4.4 | C[C@@H]1OC(=O)[C@@H]2[C@H]1[C@H](/C=C/[C@H]1CCC[C@@H](N1C)C)[C@H]1CCCC[C@@H]1C2 | 9454790 | ||
| 10062394 | 2998 | 1 | None | -6 | 4 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| 304 | 2998 | 1 | None | -6 | 4 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| CHEMBL130715 | 2998 | 1 | None | -6 | 4 | Human | 7.9 | pKi | None | 7.9 | Binding | Guide to Pharmacology | 283 | 6 | 0 | 5 | 3.5 | CCCCCSc1nsnc1C1=CCCN(C1)C | 9224827 | ||
| 1734 | 116 | 8 | None | -12 | 12 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| 1734 | 116 | 8 | None | -12 | 12 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 9454790 | ||
| 307 | 116 | 8 | None | -12 | 12 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| 307 | 116 | 8 | None | -12 | 12 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 9454790 | ||
| CHEMBL168067 | 116 | 8 | None | -12 | 12 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 1325587 | ||
| CHEMBL168067 | 116 | 8 | None | -12 | 12 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 324 | 4 | 0 | 2 | 3.6 | O=C(C(c1ccccc1)c1ccccc1)OC1CC[N+](CC1)(C)C | 9454790 | ||
| 293 | 2800 | 0 | None | -2 | 5 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 9985526 | 2800 | 0 | None | -2 | 5 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 572 | 6 | 0 | 10 | 3.9 | C1CN2CCC1C(C2)c1nsnc1OCC#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 | 11504829 | ||
| 10350027 | 1400 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 576 | 15 | 0 | 4 | 4.7 | Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C | 12815174 | ||
| 364 | 1400 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 576 | 15 | 0 | 4 | 4.7 | Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C | 12815174 | ||
| 365 | 1400 | 0 | None | - | 1 | Human | 8.5 | pKi | None | 8.5 | Binding | Guide to Pharmacology | 576 | 15 | 0 | 4 | 4.7 | Cc1cccc2c1C(=O)N(C2=O)CCC[N+](CCCCCC[N+](CCCN1C(=O)c2c(C1=O)c(C)ccc2)(C)C)(C)C | 12815174 | ||
| 350 | 3500 | 4 | None | 26 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10069520 | ||
| 9867750 | 3500 | 4 | None | 26 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10069520 | ||
| CHEMBL73341 | 3500 | 4 | None | 26 | 2 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 437 | 6 | 0 | 5 | 4.4 | COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C#N | 10069520 | ||
| 30843 | 1375 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 354 | 1375 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 831 | 1375 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| CHEMBL1908364 | 1375 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| DB08997 | 1375 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | 362 | 4 | 1 | 3 | 3.3 | O=C1CC[C@](C(=O)N1)(C1CCN(CC1)Cc1ccccc1)c1ccccc1 | 9454790 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 174174 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9454790 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 260 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9454790 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| 320 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9454790 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| CHEMBL517712 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9454790 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 1325587 | ||
| DB00572 | 519 | 46 | None | -4 | 14 | Rat | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | 289 | 4 | 1 | 4 | 1.9 | OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C | 9454790 | ||