Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 5493324 | 105678 | 24 | None | 208 | 3 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279260 | 105678 | 24 | None | 208 | 3 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 24936626 | 24181 | 0 | None | 173 | 3 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257555 | 24181 | 0 | None | 173 | 3 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 44565931 | 19217 | 0 | None | 40 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186040 | 19217 | 0 | None | 40 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL446806 | 19217 | 0 | None | 40 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 44565931 | 19217 | 0 | None | 40 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186040 | 19217 | 0 | None | 40 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL446806 | 19217 | 0 | None | 40 | 4 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 24895263 | 201329 | 0 | None | 1122 | 3 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
| CHEMBL529659 | 201329 | 0 | None | 1122 | 3 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1021/jm8000345 | ||
| 44591508 | 185774 | 0 | None | 1122 | 3 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
| CHEMBL470857 | 185774 | 0 | None | 1122 | 3 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 475 | 10 | 4 | 6 | 4.6 | Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1 | 10.1021/jm9000709 | ||
| 76332894 | 112705 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 466 | 6 | 4 | 6 | 3.9 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(F)c3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128199 | 112705 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 466 | 6 | 4 | 6 | 3.9 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(F)c3)N2)cc1 | 10.1021/jm4017224 | ||
| 24937389 | 24220 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257675 | 24220 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 24895363 | 180370 | 0 | None | 3162 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 447 | 11 | 3 | 4 | 5.3 | CC(C)COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453322 | 180370 | 0 | None | 3162 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 447 | 11 | 3 | 4 | 5.3 | CC(C)COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24894202 | 195804 | 0 | None | 676 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 6.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| CHEMBL509156 | 195804 | 0 | None | 676 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 473 | 10 | 3 | 4 | 6.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| 45271036 | 202007 | 0 | None | 2951 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL550871 | 202007 | 0 | None | 2951 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 16223251 | 183238 | 0 | None | 204 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 449 | 11 | 4 | 6 | 3.9 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL459646 | 183238 | 0 | None | 204 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 449 | 11 | 4 | 6 | 3.9 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 76336500 | 112700 | 0 | None | 2 | 4 | Rhesus macaque | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128194 | 112700 | 0 | None | 2 | 4 | Rhesus macaque | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 5493324 | 105678 | 24 | None | 208 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279260 | 105678 | 24 | None | 208 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 24895669 | 197446 | 0 | None | 7079 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 10 | 4 | 5 | 4.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL518168 | 197446 | 0 | None | 7079 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 435 | 10 | 4 | 5 | 4.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639494 | 19238 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 536 | 11 | 4 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186167 | 19238 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 536 | 11 | 4 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL452696 | 19238 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 536 | 11 | 4 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| 23661589 | 100196 | 0 | None | 12589 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245873 | 100196 | 0 | None | 12589 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1cccc(-c2sccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 42639656 | 202471 | 0 | None | 5 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL452134 | 202471 | 0 | None | 5 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL556852 | 202471 | 0 | None | 5 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 44560793 | 195676 | 0 | None | 7 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL507506 | 195676 | 0 | None | 7 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 16222940 | 193253 | 0 | None | 48 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL487682 | 193253 | 0 | None | 48 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44591507 | 186138 | 0 | None | 48 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL473702 | 186138 | 0 | None | 48 | 4 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44560794 | 180280 | 0 | None | 346 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.4 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| CHEMBL453056 | 180280 | 0 | None | 346 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 474 | 10 | 3 | 5 | 5.4 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| 44565932 | 193790 | 0 | None | 4897 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL490733 | 193790 | 0 | None | 4897 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 528 | 11 | 4 | 8 | 3.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 24895361 | 192153 | 0 | None | 2 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL486051 | 192153 | 0 | None | 2 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 44560792 | 180167 | 0 | None | 794 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 434 | 10 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL452798 | 180167 | 0 | None | 794 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 434 | 10 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 9845282 | 82727 | 0 | None | 63 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL205224 | 82727 | 0 | None | 63 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 11575154 | 83990 | 0 | None | 100000 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL207943 | 83990 | 0 | None | 100000 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1ccncc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| 45271886 | 202094 | 0 | None | 724 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 508 | 11 | 3 | 5 | 4.5 | CC(C)Cc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL551532 | 202094 | 0 | None | 724 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 508 | 11 | 3 | 5 | 4.5 | CC(C)Cc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 6916441 | 106103 | 1 | None | 79 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL282190 | 106103 | 1 | None | 79 | 3 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 11156916 | 19282 | 0 | None | 3 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186550 | 19282 | 0 | None | 3 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL469395 | 19282 | 0 | None | 3 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 44565908 | 193903 | 0 | None | 75 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL491726 | 193903 | 0 | None | 75 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 76332895 | 112706 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 466 | 6 | 4 | 6 | 3.9 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccc(F)cc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128200 | 112706 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 466 | 6 | 4 | 6 | 3.9 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccc(F)cc3)N2)cc1 | 10.1021/jm4017224 | ||
| 11272641 | 19215 | 0 | None | 10 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186009 | 19215 | 0 | None | 10 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL445481 | 19215 | 0 | None | 10 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 24936885 | 24255 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257797 | 24255 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 11224220 | 179746 | 0 | None | 2137 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 431 | 10 | 3 | 3 | 5.5 | CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL451760 | 179746 | 0 | None | 2137 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 431 | 10 | 3 | 3 | 5.5 | CC(C)Cc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 10003858 | 195874 | 1 | None | 3548 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 449 | 10 | 4 | 5 | 4.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL510100 | 195874 | 1 | None | 3548 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 449 | 10 | 4 | 5 | 4.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11398536 | 19247 | 0 | None | 6309 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186241 | 19247 | 0 | None | 6309 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL455773 | 19247 | 0 | None | 6309 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 535 | 11 | 4 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1NC1CCCCC1 | 10.1021/jm9000709 | ||
| 44565908 | 193903 | 0 | None | 75 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL491726 | 193903 | 0 | None | 75 | 3 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 76336500 | 112700 | 0 | None | -2 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128194 | 112700 | 0 | None | -2 | 4 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 76336501 | 112704 | 0 | None | 56234 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 482 | 6 | 4 | 6 | 4.4 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(Cl)c3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128198 | 112704 | 0 | None | 56234 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 482 | 6 | 4 | 6 | 4.4 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccc(Cl)c3)N2)cc1 | 10.1021/jm4017224 | ||
| 11268355 | 103171 | 0 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26183 | 103171 | 0 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 45101537 | 202053 | 0 | None | 6 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL551272 | 202053 | 0 | None | 6 | 3 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 24895565 | 183474 | 0 | None | 575 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 475 | 11 | 3 | 5 | 5.5 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL459862 | 183474 | 0 | None | 575 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 475 | 11 | 3 | 5 | 5.5 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 44472636 | 112695 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 436 | 7 | 4 | 6 | 3.9 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| CHEMBL3128189 | 112695 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 436 | 7 | 4 | 6 | 3.9 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| 24895265 | 193472 | 0 | None | 70 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| CHEMBL488430 | 193472 | 0 | None | 70 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| 76336500 | 112700 | 0 | None | -3 | 4 | Dog | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128194 | 112700 | 0 | None | -3 | 4 | Dog | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 24895361 | 192153 | 0 | None | -2 | 3 | Dog | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL486051 | 192153 | 0 | None | -2 | 3 | Dog | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24895357 | 193074 | 0 | None | 194 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 467 | 10 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL487443 | 193074 | 0 | None | 194 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 467 | 10 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24895261 | 193443 | 0 | None | 676 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL488223 | 193443 | 0 | None | 676 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639654 | 19412 | 0 | None | 1258 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187156 | 19412 | 0 | None | 1258 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL491891 | 19412 | 0 | None | 1258 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 513 | 11 | 3 | 7 | 3.8 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44591506 | 186111 | 0 | None | 676 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL473495 | 186111 | 0 | None | 676 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 11669967 | 83295 | 0 | None | 12589 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 468 | 10 | 5 | 5 | 4.5 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL206002 | 83295 | 0 | None | 12589 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 468 | 10 | 5 | 5 | 4.5 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 42640122 | 202954 | 0 | None | 2 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL492401 | 202954 | 0 | None | 2 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL561335 | 202954 | 0 | None | 2 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 42639969 | 19344 | 0 | None | 1584 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186809 | 19344 | 0 | None | 1584 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL479530 | 19344 | 0 | None | 1584 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 496 | 11 | 4 | 7 | 3.1 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 76322047 | 112702 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 462 | 6 | 4 | 6 | 4.2 | Nc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128196 | 112702 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 462 | 6 | 4 | 6 | 4.2 | Nc1nc2c(s1)CCC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 24895557 | 179879 | 0 | None | 575 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 5.2 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL452033 | 179879 | 0 | None | 575 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 469 | 12 | 3 | 5 | 5.2 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24894323 | 183237 | 0 | None | 52 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 468 | 12 | 4 | 5 | 5.2 | CCCOc1cc(-c2ccc(NCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL459645 | 183237 | 0 | None | 52 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 468 | 12 | 4 | 5 | 5.2 | CCCOc1cc(-c2ccc(NCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11432806 | 72971 | 0 | None | 134 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 11432806 | 72971 | 0 | None | 134 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL184407 | 72971 | 0 | None | 134 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL184407 | 72971 | 0 | None | 134 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 16223045 | 202704 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 594 | 12 | 4 | 8 | 4.0 | CC(=O)Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)NS(C)(=O)=O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL559334 | 202704 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 594 | 12 | 4 | 8 | 4.0 | CC(=O)Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)NS(C)(=O)=O)c(OC4CCCCC4)c3)cc2)cn1 | 10.1016/j.bmcl.2009.06.083 | ||
| 11647543 | 145014 | 0 | None | 2511 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL377028 | 145014 | 0 | None | 2511 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 9888047 | 100156 | 0 | None | 398 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245673 | 100156 | 0 | None | 398 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1cccc(-c2occc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 24893964 | 193444 | 0 | None | 5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL488224 | 193444 | 0 | None | 5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 45268516 | 203022 | 0 | None | 588 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 605 | 13 | 5 | 9 | 2.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL561743 | 203022 | 0 | None | 588 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 605 | 13 | 5 | 9 | 2.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 24893964 | 193444 | 0 | None | 5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL488224 | 193444 | 0 | None | 5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 24895259 | 196075 | 0 | None | 588 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 528 | 12 | 5 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL512147 | 196075 | 0 | None | 588 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 528 | 12 | 5 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11235459 | 199359 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 418 | 10 | 3 | 4 | 4.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL521406 | 199359 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 418 | 10 | 3 | 4 | 4.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24893964 | 193444 | 0 | None | 5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL488224 | 193444 | 0 | None | 5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 11235459 | 199359 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 418 | 10 | 3 | 4 | 4.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL521406 | 199359 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 418 | 10 | 3 | 4 | 4.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44396715 | 74225 | 0 | None | 20 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL189081 | 74225 | 0 | None | 20 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 24895561 | 183632 | 0 | None | 194 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 509 | 11 | 3 | 5 | 6.1 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL461301 | 183632 | 0 | None | 194 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 509 | 11 | 3 | 5 | 6.1 | O=C(O)c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 44396531 | 73609 | 0 | None | 38 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186135 | 73609 | 0 | None | 38 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 24823464 | 104394 | 0 | None | 588 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL270964 | 104394 | 0 | None | 588 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 42640120 | 19348 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 507 | 10 | 3 | 6 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1C1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186818 | 19348 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 507 | 10 | 3 | 6 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1C1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL479727 | 19348 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 507 | 10 | 3 | 6 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1C1CCCC1 | 10.1021/jm9000709 | ||
| 24823464 | 104394 | 0 | None | 588 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL270964 | 104394 | 0 | None | 588 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 418 | 10 | 4 | 4 | 4.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 24823294 | 165847 | 0 | None | 870 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| CHEMBL409718 | 165847 | 0 | None | 870 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| 24823294 | 165847 | 0 | None | 870 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL409718 | 165847 | 0 | None | 870 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 24895789 | 195646 | 0 | None | 72 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 375 | 8 | 3 | 3 | 4.3 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| CHEMBL507003 | 195646 | 0 | None | 72 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 375 | 8 | 3 | 3 | 4.3 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 | 10.1021/jm8000345 | ||
| 24823294 | 165847 | 0 | None | 870 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL409718 | 165847 | 0 | None | 870 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 459 | 10 | 3 | 4 | 5.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 24895791 | 193419 | 0 | None | 199 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL488051 | 193419 | 0 | None | 199 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44396729 | 73636 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL186247 | 73636 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 44441234 | 100564 | 0 | None | 63 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247520 | 100564 | 0 | None | 63 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 414 | 9 | 4 | 5 | 4.4 | C[C@H](CNc1ccc(-c2occc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 24895559 | 179880 | 0 | None | 338 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 483 | 12 | 3 | 5 | 5.4 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL452034 | 179880 | 0 | None | 338 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 483 | 12 | 3 | 5 | 5.4 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11352782 | 19289 | 0 | None | 2 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 512 | 11 | 3 | 6 | 4.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186583 | 19289 | 0 | None | 2 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 512 | 11 | 3 | 6 | 4.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL470856 | 19289 | 0 | None | 2 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 512 | 11 | 3 | 6 | 4.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 42639652 | 19503 | 0 | None | 1513 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187716 | 19503 | 0 | None | 1513 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL516209 | 19503 | 0 | None | 1513 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.5 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 42639487 | 19298 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 520 | 10 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186604 | 19298 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 520 | 10 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL472293 | 19298 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 520 | 10 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCCC1 | 10.1021/jm9000709 | ||
| 24823296 | 104808 | 0 | None | 2884 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm701324c | ||
| CHEMBL273006 | 104808 | 0 | None | 2884 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm701324c | ||
| 24823296 | 104808 | 0 | None | 2884 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| CHEMBL273006 | 104808 | 0 | None | 2884 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| 16222840 | 202510 | 0 | None | 316 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 566 | 11 | 4 | 7 | 4.7 | C[C@H](NCCc1ccc(-c2ccc(C(=O)NS(C)(=O)=O)c(OC3CCCCC3)c2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL557253 | 202510 | 0 | None | 316 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 566 | 11 | 4 | 7 | 4.7 | C[C@H](NCCc1ccc(-c2ccc(C(=O)NS(C)(=O)=O)c(OC3CCCCC3)c2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
| 11268355 | 103171 | 0 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26183 | 103171 | 0 | None | -1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 9927453 | 103462 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26393 | 103462 | 0 | None | 1 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 76336502 | 112707 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 449 | 6 | 4 | 7 | 3.2 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128201 | 112707 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 449 | 6 | 4 | 7 | 3.2 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| 24949720 | 196301 | 0 | None | 66 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL514102 | 196301 | 0 | None | 66 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| 42639314 | 19342 | 0 | None | 575 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186804 | 19342 | 0 | None | 575 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL479341 | 19342 | 0 | None | 575 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 550 | 11 | 3 | 6 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCCC1 | 10.1021/jm9000709 | ||
| 44441235 | 157771 | 0 | None | 251 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL395834 | 157771 | 0 | None | 251 | 3 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 430 | 9 | 4 | 5 | 4.9 | C[C@H](CNc1ccc(-c2sccc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 42639317 | 19485 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 506 | 10 | 3 | 5 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1187617 | 19485 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 506 | 10 | 3 | 5 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL511968 | 19485 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 506 | 10 | 3 | 5 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1C1CCCC1 | 10.1021/jm9000709 | ||
| 3931 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00571-x | ||
| 9829836 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL12998 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00571-x | ||
| 11224275 | 180273 | 0 | None | 1621 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.1 | CCCOc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453048 | 180273 | 0 | None | 1621 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.1 | CCCOc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11156916 | 19282 | 0 | None | 3 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186550 | 19282 | 0 | None | 3 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL469395 | 19282 | 0 | None | 3 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 3038500 | 16112 | 12 | None | 2 | 6 | Rhesus macaque | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 16112 | 12 | None | 2 | 6 | Rhesus macaque | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 3931 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | ||
| 9829836 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12998 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00170-x | ||
| 3931 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00381-3 | ||
| 9829836 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL12998 | 9028 | 48 | None | 691 | 4 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1016/s0960-894x(98)00381-3 | ||
| 24822817 | 102070 | 0 | None | 120 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| CHEMBL256418 | 102070 | 0 | None | 120 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm701324c | ||
| 24822817 | 102070 | 0 | None | 120 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL256418 | 102070 | 0 | None | 120 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 11340895 | 19287 | 0 | None | 1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 494 | 11 | 3 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186563 | 19287 | 0 | None | 1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 494 | 11 | 3 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL469821 | 19287 | 0 | None | 1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 494 | 11 | 3 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 24822817 | 102070 | 0 | None | 120 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL256418 | 102070 | 0 | None | 120 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 493 | 10 | 3 | 4 | 6.3 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 44396798 | 176171 | 0 | None | 27 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL442225 | 176171 | 0 | None | 27 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 76329232 | 112685 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 447 | 6 | 3 | 5 | 4.5 | Cc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128179 | 112685 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 447 | 6 | 3 | 5 | 4.5 | Cc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 127041869 | 143884 | 0 | None | 27542 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 448 | 7 | 2 | 5 | 3.0 | CCOC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747546 | 143884 | 0 | None | 27542 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 448 | 7 | 2 | 5 | 3.0 | CCOC(=O)[C@@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21 | 10.1016/j.bmcl.2015.11.030 | ||
| 44560791 | 195875 | 0 | None | 154 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 376 | 8 | 3 | 4 | 3.7 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| CHEMBL510102 | 195875 | 0 | None | 154 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 376 | 8 | 3 | 4 | 3.7 | C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccnc1 | 10.1021/jm8000345 | ||
| 24936882 | 24354 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258143 | 24354 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 42639656 | 202471 | 0 | None | 5 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL452134 | 202471 | 0 | None | 5 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL556852 | 202471 | 0 | None | 5 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| 24894315 | 179752 | 0 | None | 165 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.2 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL451772 | 179752 | 0 | None | 165 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.2 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639491 | 19343 | 0 | None | 1659 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186805 | 19343 | 0 | None | 1659 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL479342 | 19343 | 0 | None | 1659 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 552 | 11 | 3 | 6 | 5.3 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1SC1CCCCC1 | 10.1021/jm9000709 | ||
| 42639656 | 202471 | 0 | None | 5 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL452134 | 202471 | 0 | None | 5 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL556852 | 202471 | 0 | None | 5 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 10113837 | 72343 | 0 | None | 39 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 11 | 5 | 5 | 3.3 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183129 | 72343 | 0 | None | 39 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 11 | 5 | 5 | 3.3 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44560793 | 195676 | 0 | None | -7 | 3 | Dog | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL507506 | 195676 | 0 | None | -7 | 3 | Dog | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 434 | 11 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44396513 | 73497 | 0 | None | 30 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185660 | 73497 | 0 | None | 30 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 145984584 | 172666 | 0 | None | 5 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4249564 | 172666 | 0 | None | 5 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 444 | 10 | 5 | 4 | 4.4 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24822819 | 167056 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 451 | 10 | 3 | 3 | 5.8 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL411028 | 167056 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 451 | 10 | 3 | 3 | 5.8 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 42639965 | 19490 | 0 | None | 691 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1187643 | 19490 | 0 | None | 691 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL513419 | 19490 | 0 | None | 691 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 534 | 11 | 3 | 5 | 5.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1CC1CCCCC1 | 10.1021/jm9000709 | ||
| 44392552 | 71300 | 0 | None | 23 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181440 | 71300 | 0 | None | 23 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 24893966 | 183518 | 0 | None | 724 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 4.8 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL460257 | 183518 | 0 | None | 724 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 449 | 12 | 3 | 5 | 4.8 | CC(C)COc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44396596 | 130078 | 0 | None | 25 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL361505 | 130078 | 0 | None | 25 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 11453340 | 104516 | 0 | None | 2 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 10 | 3 | 4 | 5.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL271574 | 104516 | 0 | None | 2 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 10 | 3 | 4 | 5.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 11453340 | 104516 | 0 | None | 2 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 10 | 3 | 4 | 5.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL271574 | 104516 | 0 | None | 2 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 435 | 10 | 3 | 4 | 5.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 10100 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 24822815 | 104718 | 0 | None | 588 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272583 | 104718 | 0 | None | 588 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 44396530 | 73862 | 0 | None | 23 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL187317 | 73862 | 0 | None | 23 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 10002049 | 104217 | 0 | None | 3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL270026 | 104217 | 0 | None | 3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 10002049 | 104217 | 0 | None | 3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL270026 | 104217 | 0 | None | 3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639810 | 19283 | 0 | None | 4 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 530 | 11 | 3 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| CHEMBL1186551 | 19283 | 0 | None | 4 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 530 | 11 | 3 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| CHEMBL469396 | 19283 | 0 | None | 4 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 530 | 11 | 3 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| 11420551 | 19291 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186589 | 19291 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL471060 | 19291 | 0 | None | 1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10002049 | 104217 | 0 | None | 3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL270026 | 104217 | 0 | None | 3 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44472633 | 144717 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 443 | 6 | 3 | 5 | 3.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2cccc(=O)n21 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3763934 | 144717 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 443 | 6 | 3 | 5 | 3.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2cccc(=O)n21 | 10.1021/acs.jmedchem.5b01372 | ||
| 24822648 | 104383 | 0 | None | 28 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| CHEMBL270889 | 104383 | 0 | None | 28 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| 24936881 | 24289 | 0 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257913 | 24289 | 0 | None | -1 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 42639808 | 19297 | 0 | None | 1230 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186601 | 19297 | 0 | None | 1230 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
| CHEMBL472090 | 19297 | 0 | None | 1230 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 522 | 11 | 3 | 6 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCC1 | 10.1021/jm9000709 | ||
| 11156916 | 19282 | 0 | None | -3 | 2 | Dog | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186550 | 19282 | 0 | None | -3 | 2 | Dog | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL469395 | 19282 | 0 | None | -3 | 2 | Dog | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 42639133 | 19498 | 0 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187691 | 19498 | 0 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL515397 | 19498 | 0 | None | 1 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 51347436 | 112683 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 433 | 6 | 3 | 5 | 4.2 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| CHEMBL3128177 | 112683 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 433 | 6 | 3 | 5 | 4.2 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| 44396736 | 73642 | 0 | None | 11 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186271 | 73642 | 0 | None | 11 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44298804 | 204209 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 483 | 11 | 5 | 7 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2c(c1)CCN2 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56968 | 204209 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 483 | 11 | 5 | 7 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2c(c1)CCN2 | 10.1016/s0960-894x(99)00277-2 | ||
| 9906822 | 168816 | 0 | None | -3 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL416012 | 168816 | 0 | None | -3 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 44472637 | 112696 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 436 | 7 | 4 | 6 | 3.9 | C[C@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| CHEMBL3128190 | 112696 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 436 | 7 | 4 | 6 | 3.9 | C[C@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| 11352782 | 19289 | 0 | None | -2 | 2 | Dog | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 512 | 11 | 3 | 6 | 4.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186583 | 19289 | 0 | None | -2 | 2 | Dog | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 512 | 11 | 3 | 6 | 4.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL470856 | 19289 | 0 | None | -2 | 2 | Dog | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 512 | 11 | 3 | 6 | 4.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 24894317 | 180479 | 0 | None | 22 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453575 | 180479 | 0 | None | 22 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 11 | 3 | 4 | 5.6 | CC(C)Cc1cc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44565907 | 199949 | 0 | None | 138 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 498 | 11 | 4 | 8 | 2.3 | CCOc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL523149 | 199949 | 0 | None | 138 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 498 | 11 | 4 | 8 | 2.3 | CCOc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 24949728 | 182019 | 0 | None | 436 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 479 | 8 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL457199 | 182019 | 0 | None | 436 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 479 | 8 | 3 | 4 | 5.7 | CC(C)Oc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| 24895664 | 183475 | 0 | None | 251 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.8 | CCCOc1cc(-c2ccc(CCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL459863 | 183475 | 0 | None | 251 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 467 | 12 | 3 | 4 | 5.8 | CCCOc1cc(-c2ccc(CCCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44268556 | 30907 | 0 | None | 354 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13389 | 30907 | 0 | None | 354 | 3 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 515 | 12 | 5 | 8 | 2.9 | COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44298731 | 204860 | 0 | None | 870 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL57430 | 204860 | 0 | None | 870 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 429 | 10 | 2 | 3 | 4.9 | CCCCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44396577 | 73726 | 0 | None | 25 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186676 | 73726 | 0 | None | 25 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 10075383 | 103880 | 0 | None | 229 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL267545 | 103880 | 0 | None | 229 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 520 | 11 | 4 | 6 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 24950234 | 182776 | 0 | None | 223 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 10 | 4 | 5 | 5.8 | CCCNc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL458923 | 182776 | 0 | None | 223 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 10 | 4 | 5 | 5.8 | CCCNc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 24950716 | 182319 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 4.9 | COc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL457847 | 182319 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 4.9 | COc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| 24950236 | 195851 | 0 | None | 89 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 534 | 9 | 4 | 5 | 6.8 | O=C(O)c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL509729 | 195851 | 0 | None | 89 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 534 | 9 | 4 | 5 | 6.8 | O=C(O)c1cc(NC2CCCCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 24950562 | 181906 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 401 | 6 | 3 | 3 | 4.5 | Cc1ccc([C@@H](O)CN[C@H]2CCc3ccc(-c4ccc(C(=O)O)cc4)cc3C2)cc1 | 10.1021/jm800222k | ||
| CHEMBL456971 | 181906 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 401 | 6 | 3 | 3 | 4.5 | Cc1ccc([C@@H](O)CN[C@H]2CCc3ccc(-c4ccc(C(=O)O)cc4)cc3C2)cc1 | 10.1021/jm800222k | ||
| 24895359 | 199273 | 0 | None | 104 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL520903 | 199273 | 0 | None | 104 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 405 | 9 | 3 | 4 | 4.3 | COc1cc(-c2ccc(C[C@@H](C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11060184 | 126508 | 0 | None | 39 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL347616 | 126508 | 0 | None | 39 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 501 | 11 | 4 | 6 | 3.5 | C[C@H](CNc1ccc(CC(=O)NS(=O)(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 44441229 | 100524 | 0 | None | 100 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247315 | 100524 | 0 | None | 100 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2nc(C(=O)O)cs2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 10298567 | 72727 | 0 | None | 5 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183611 | 72727 | 0 | None | 5 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1cccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44298787 | 201528 | 0 | None | 426 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53679 | 201528 | 0 | None | 426 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 443 | 12 | 2 | 5 | 6.6 | CCCCCCCCc1csc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 24823292 | 165673 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.0 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL409533 | 165673 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 11 | 3 | 4 | 5.0 | CC(C)COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24950570 | 182209 | 0 | None | 794 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F | 10.1021/jm800222k | ||
| CHEMBL457629 | 182209 | 0 | None | 794 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1F | 10.1021/jm800222k | ||
| 11476004 | 180272 | 0 | None | 4 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453047 | 180272 | 0 | None | 4 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 45267631 | 202722 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 566 | 12 | 4 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(C[C@@H](CO)NC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL559486 | 202722 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 566 | 12 | 4 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(C[C@@H](CO)NC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| 11156916 | 19282 | 0 | None | -3 | 2 | Dog | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186550 | 19282 | 0 | None | -3 | 2 | Dog | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL469395 | 19282 | 0 | None | -3 | 2 | Dog | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 536 | 11 | 3 | 6 | 4.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 76318364 | 112697 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 450 | 8 | 4 | 6 | 4.3 | CC[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| CHEMBL3128191 | 112697 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 450 | 8 | 4 | 6 | 4.3 | CC[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| 24950568 | 196544 | 0 | None | 234 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL516002 | 196544 | 0 | None | 234 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1 | 10.1021/jm800222k | ||
| 44396779 | 73835 | 0 | None | 17 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL187209 | 73835 | 0 | None | 17 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 11340895 | 19287 | 0 | None | -1 | 2 | Dog | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 11 | 3 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186563 | 19287 | 0 | None | -1 | 2 | Dog | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 11 | 3 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL469821 | 19287 | 0 | None | -1 | 2 | Dog | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 494 | 11 | 3 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 76325669 | 112698 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 464 | 9 | 4 | 6 | 4.6 | CCC[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| CHEMBL3128192 | 112698 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 464 | 9 | 4 | 6 | 4.6 | CCC[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| 44396532 | 73530 | 0 | None | 42 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185836 | 73530 | 0 | None | 42 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44472590 | 65435 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL1684585 | 65435 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1021/acs.jmedchem.5b01372 | ||
| 44298288 | 108360 | 0 | None | 575 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL298594 | 108360 | 0 | None | 575 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 441 | 9 | 1 | 5 | 5.8 | CCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 24895365 | 180371 | 0 | None | 309 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 447 | 10 | 3 | 4 | 5.5 | CC(C)Oc1cc(-c2ccc(CC(C)(C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453323 | 180371 | 0 | None | 309 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 447 | 10 | 3 | 4 | 5.5 | CC(C)Oc1cc(-c2ccc(CC(C)(C)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11373418 | 106305 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 416 | 9 | 3 | 5 | 3.6 | COC(=O)COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL283426 | 106305 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 416 | 9 | 3 | 5 | 3.6 | COC(=O)COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 44298533 | 201783 | 0 | None | 1380 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54821 | 201783 | 0 | None | 1380 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 469 | 11 | 1 | 5 | 6.5 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 9929683 | 118088 | 0 | None | 3548 | 2 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32670 | 118088 | 0 | None | 3548 | 2 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44396675 | 134035 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.2 | COc1cccc(S(=O)(=O)Nc2cccc([C@@H](O)CNCCc3c[nH]c4c(S(C)(=O)=O)cccc34)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL365833 | 134035 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 543 | 11 | 4 | 7 | 3.2 | COc1cccc(S(=O)(=O)Nc2cccc([C@@H](O)CNCCc3c[nH]c4c(S(C)(=O)=O)cccc34)c2)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 11199616 | 106792 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 372 | 8 | 3 | 3 | 4.5 | CCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL286819 | 106792 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 372 | 8 | 3 | 3 | 4.5 | CCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm701324c | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2008.08.009 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm800222k | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm8000345 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm9000709 | ||
| 11324939 | 101238 | 1 | None | 6 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25133 | 101238 | 1 | None | 6 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2004.11.001 | ||
| 44472590 | 65435 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1021/jm4017224 | ||
| CHEMBL1684585 | 65435 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1021/jm4017224 | ||
| 44472590 | 65435 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL1684585 | 65435 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2015.11.030 | ||
| 44472590 | 65435 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684585 | 65435 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.3 | Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2010.12.087 | ||
| 24823127 | 104719 | 0 | None | 1 | 3 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272584 | 104719 | 0 | None | 1 | 3 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 45101537 | 202053 | 0 | None | -6 | 3 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL551272 | 202053 | 0 | None | -6 | 3 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 42639133 | 19498 | 0 | None | -1 | 2 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187691 | 19498 | 0 | None | -1 | 2 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL515397 | 19498 | 0 | None | -1 | 2 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 42639656 | 202471 | 0 | None | -5 | 2 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL452134 | 202471 | 0 | None | -5 | 2 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL556852 | 202471 | 0 | None | -5 | 2 | Dog | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 24949568 | 196462 | 0 | None | 338 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 536 | 9 | 4 | 6 | 5.6 | O=C(O)c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL515349 | 196462 | 0 | None | 338 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 536 | 9 | 4 | 6 | 5.6 | O=C(O)c1cc(NC2CCOCC2)cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 24936492 | 24321 | 0 | None | 1 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258026 | 24321 | 0 | None | 1 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 42639967 | 19284 | 0 | None | 128 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186557 | 19284 | 0 | None | 128 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL469610 | 19284 | 0 | None | 128 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 497 | 11 | 3 | 7 | 3.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44268520 | 28011 | 0 | None | 128 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13132 | 28011 | 0 | None | 128 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 591 | 14 | 5 | 8 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)OCc1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268495 | 31802 | 0 | None | 151 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13467 | 31802 | 0 | None | 151 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 612 | 19 | 6 | 7 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44392175 | 138572 | 0 | None | -1 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 480 | 12 | 5 | 7 | 3.2 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL369346 | 138572 | 0 | None | -1 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 480 | 12 | 5 | 7 | 3.2 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2004.11.001 | ||
| 11785699 | 71614 | 0 | None | 12 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 519 | 12 | 4 | 6 | 4.9 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC/C=C/c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182018 | 71614 | 0 | None | 12 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 519 | 12 | 4 | 6 | 4.9 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC/C=C/c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44396559 | 73622 | 0 | None | 7 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 499 | 11 | 4 | 6 | 4.7 | CCOc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186196 | 73622 | 0 | None | 7 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 499 | 11 | 4 | 6 | 4.7 | CCOc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396625 | 130849 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 547 | 10 | 4 | 6 | 3.9 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(Cl)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL363246 | 130849 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 547 | 10 | 4 | 6 | 3.9 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(Cl)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 44386369 | 175275 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 629 | 10 | 4 | 10 | 3.2 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(N5CCCCC5)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL435307 | 175275 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 629 | 10 | 4 | 10 | 3.2 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(N5CCCCC5)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 10283539 | 174644 | 0 | None | 346 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL431048 | 174644 | 0 | None | 346 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 697 | 14 | 6 | 9 | 2.8 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00607-8 | ||
| 44298851 | 107330 | 0 | None | 63 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL291467 | 107330 | 0 | None | 63 | 3 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 463 | 11 | 1 | 4 | 6.5 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 10189730 | 12049 | 0 | None | 426 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 647 | 14 | 6 | 8 | 3.4 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106511 | 12049 | 0 | None | 426 | 2 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 647 | 14 | 6 | 8 | 3.4 | CS(=O)(=O)Nc1cc(OC[C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| 3931 | 9028 | 48 | None | 691 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| 9829836 | 9028 | 48 | None | 691 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| CHEMBL12998 | 9028 | 48 | None | 691 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm000544b | ||
| 145983603 | 172592 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 410 | 10 | 5 | 4 | 3.3 | CC(C)NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248369 | 172592 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 410 | 10 | 5 | 4 | 3.3 | CC(C)NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 145985242 | 172324 | 0 | None | 6 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4241613 | 172324 | 0 | None | 6 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 443 | 11 | 4 | 4 | 3.9 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 11420551 | 19291 | 0 | None | -1 | 3 | Dog | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186589 | 19291 | 0 | None | -1 | 3 | Dog | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL471060 | 19291 | 0 | None | -1 | 3 | Dog | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 495 | 11 | 4 | 6 | 3.7 | CC(C)Nc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.11.060 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.11.060 | ||
| 10100 | 10759 | 30 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | 1 | 4 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 24823127 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272584 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24823127 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL272584 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 24823127 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL272584 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24823127 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL272584 | 104719 | 0 | None | -1 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44268534 | 26136 | 0 | None | 199 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12911 | 26136 | 0 | None | 199 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 529 | 13 | 5 | 8 | 3.3 | CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268605 | 105190 | 0 | None | 489 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL275511 | 105190 | 0 | None | 489 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 542 | 14 | 6 | 7 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44392181 | 72845 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183744 | 72845 | 0 | None | 10 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccccc1NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44396738 | 130662 | 0 | None | 54 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL362763 | 130662 | 0 | None | 54 | 3 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 655 | 13 | 5 | 9 | 4.8 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccc(C(=O)O)cc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 76322044 | 112686 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 448 | 6 | 3 | 6 | 3.9 | Cc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128180 | 112686 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 448 | 6 | 3 | 6 | 3.9 | Cc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| 44565931 | 19217 | 0 | None | -40 | 4 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186040 | 19217 | 0 | None | -40 | 4 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL446806 | 19217 | 0 | None | -40 | 4 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 11453340 | 104516 | 0 | None | -2 | 2 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 435 | 10 | 3 | 4 | 5.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL271574 | 104516 | 0 | None | -2 | 2 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 435 | 10 | 3 | 4 | 5.4 | CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 52943770 | 24139 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257438 | 24139 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 45270197 | 202175 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(N)c3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL552012 | 202175 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 551 | 11 | 4 | 7 | 4.2 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(N)c3)cc2)cc1OC1CCCCC1 | 10.1016/j.bmcl.2009.06.083 | ||
| 24895563 | 183517 | 0 | None | 173 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL460256 | 183517 | 0 | None | 173 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 435 | 12 | 3 | 5 | 4.5 | CCCOc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44268539 | 27199 | 0 | None | 371 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13068 | 27199 | 0 | None | 371 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 527 | 13 | 5 | 7 | 3.4 | CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268496 | 105151 | 0 | None | 125 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL275291 | 105151 | 0 | None | 125 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 542 | 13 | 6 | 7 | 3.3 | CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 213051 | 99354 | 2 | None | 4 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24350 | 99354 | 2 | None | 4 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 44392457 | 172736 | 0 | None | 34 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL425161 | 172736 | 0 | None | 34 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44396737 | 73632 | 0 | None | 6 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL186236 | 73632 | 0 | None | 6 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 683 | 14 | 4 | 10 | 5.2 | CCOC(=O)c1ccc(S(=O)(=O)Oc2cccc3c(C[C@@H](C)NC[C@H](O)c4cccc(NS(=O)(=O)c5cccs5)c4)c[nH]c23)cc1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44402732 | 140403 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 653 | 17 | 3 | 6 | 8.2 | CCCCCCc1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL371427 | 140403 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 653 | 17 | 3 | 6 | 8.2 | CCCCCCc1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44298852 | 108520 | 0 | None | 117 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL299719 | 108520 | 0 | None | 117 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44301617 | 205494 | 0 | None | 43651 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL58241 | 205494 | 0 | None | 43651 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 640 | 16 | 3 | 7 | 7.7 | CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 11134054 | 53757 | 0 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154150 | 53757 | 0 | None | 2 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 4.1 | C[C@H](CNc1ccc(CC(=O)Nc2nccs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 10346448 | 126608 | 0 | None | 501 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348501 | 126608 | 0 | None | 501 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 44565931 | 19217 | 0 | None | -40 | 4 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186040 | 19217 | 0 | None | -40 | 4 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL446806 | 19217 | 0 | None | -40 | 4 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 552 | 11 | 4 | 8 | 3.6 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 24893964 | 193444 | 0 | None | -5 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL488224 | 193444 | 0 | None | -5 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 44441236 | 100198 | 0 | None | 3162 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245875 | 100198 | 0 | None | 3162 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 416 | 9 | 4 | 5 | 4.5 | O=C(O)c1ccsc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441232 | 100563 | 0 | None | 19 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247519 | 100563 | 0 | None | 19 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2ocnc2C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44268268 | 25423 | 1 | None | 186 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12769 | 25423 | 1 | None | 186 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 24893964 | 193444 | 0 | None | -5 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| CHEMBL488224 | 193444 | 0 | None | -5 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm8000345 | ||
| 24893964 | 193444 | 0 | None | -5 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL488224 | 193444 | 0 | None | -5 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 460 | 10 | 3 | 5 | 5.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 24949566 | 181651 | 1 | None | 281 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 494 | 8 | 4 | 5 | 5.0 | CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL456353 | 181651 | 1 | None | 281 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 494 | 8 | 4 | 5 | 5.0 | CC(=O)Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 76336500 | 112700 | 0 | None | -21 | 4 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128194 | 112700 | 0 | None | -21 | 4 | Rat | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 44396488 | 73505 | 0 | None | 5 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL185703 | 73505 | 0 | None | 5 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 556 | 12 | 4 | 7 | 3.8 | C[C@H](Cc1c[nH]c2c(OCC(=O)N(C)C)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44268268 | 25423 | 1 | None | 186 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL12769 | 25423 | 1 | None | 186 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 493 | 11 | 4 | 7 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298823 | 108056 | 0 | None | 1174 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL296380 | 108056 | 0 | None | 1174 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 462 | 11 | 1 | 3 | 7.1 | CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| 76322043 | 112684 | 0 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| CHEMBL3128178 | 112684 | 0 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| 44335548 | 116542 | 0 | None | 288 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL323113 | 116542 | 0 | None | 288 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 567 | 17 | 5 | 6 | 5.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 11272641 | 19215 | 0 | None | -10 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL1186009 | 19215 | 0 | None | -10 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| CHEMBL445481 | 19215 | 0 | None | -10 | 3 | Dog | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 537 | 11 | 3 | 7 | 4.0 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1 | 10.1021/jm9000709 | ||
| 76322043 | 112684 | 0 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3128178 | 112684 | 0 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/acs.jmedchem.5b01372 | ||
| 24949883 | 182874 | 0 | None | 691 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 | 10.1021/jm800222k | ||
| CHEMBL459133 | 182874 | 0 | None | 691 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 439 | 6 | 3 | 3 | 5.0 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c(F)c1 | 10.1021/jm800222k | ||
| 42639489 | 19309 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 512 | 12 | 3 | 6 | 4.4 | CCCSc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186640 | 19309 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 512 | 12 | 3 | 6 | 4.4 | CCCSc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL473493 | 19309 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 512 | 12 | 3 | 6 | 4.4 | CCCSc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44268509 | 26193 | 0 | None | 154 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12943 | 26193 | 0 | None | 154 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 513 | 13 | 5 | 7 | 3.1 | CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268632 | 30999 | 0 | None | 245 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13398 | 30999 | 0 | None | 245 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 514 | 12 | 6 | 7 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44268563 | 103960 | 0 | None | 162 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL268289 | 103960 | 0 | None | 162 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 569 | 17 | 5 | 7 | 4.7 | CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 145983164 | 172719 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 517 | 11 | 6 | 6 | 4.6 | COC(=O)Nc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4250902 | 172719 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 517 | 11 | 6 | 6 | 4.6 | COC(=O)Nc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 145986105 | 172149 | 0 | None | 25 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237453 | 172149 | 0 | None | 25 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 429 | 10 | 4 | 4 | 4.0 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24949891 | 194947 | 0 | None | 46 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| CHEMBL498703 | 194947 | 0 | None | 46 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| 145983745 | 172272 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 474 | 11 | 5 | 5 | 4.4 | COc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4240360 | 172272 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 474 | 11 | 5 | 5 | 4.4 | COc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24895783 | 185713 | 0 | None | 6 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL470292 | 185713 | 0 | None | 6 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24895783 | 185713 | 0 | None | 6 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL470292 | 185713 | 0 | None | 6 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44392230 | 72371 | 1 | None | -1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 479 | 12 | 6 | 6 | 3.0 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183283 | 72371 | 1 | None | -1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 479 | 12 | 6 | 6 | 3.0 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)Nc1cccc(C(=O)O)c1 | 10.1016/j.bmcl.2004.11.001 | ||
| 11124502 | 126486 | 0 | None | 630 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 551 | 13 | 4 | 7 | 3.3 | C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL347400 | 126486 | 0 | None | 630 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 551 | 13 | 4 | 7 | 3.3 | C[C@H](CNc1cccc(CCS(=O)(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9823696 | 82550 | 0 | None | 398 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL204827 | 82550 | 0 | None | 398 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.7 | Cc1ccc(C(=O)O)cc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1021/jm0509445 | ||
| 44441230 | 100562 | 0 | None | 7 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL247518 | 100562 | 0 | None | 7 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2csc(C(=O)O)n2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 24895783 | 185713 | 0 | None | 6 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL470292 | 185713 | 0 | None | 6 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44335534 | 11598 | 0 | None | 100 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104193 | 11598 | 0 | None | 100 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 559 | 13 | 5 | 6 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 16118894 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| 3467 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276257 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00169-3 | ||
| 44580040 | 193899 | 0 | None | 2 | 3 | Dog | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL491645 | 193899 | 0 | None | 2 | 3 | Dog | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 10100 | 10759 | 30 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | 1 | 4 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 76336499 | 112699 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 464 | 8 | 4 | 6 | 4.5 | CC(C)[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| CHEMBL3128193 | 112699 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 464 | 8 | 4 | 6 | 4.5 | CC(C)[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1csc(N)n1 | 10.1021/jm4017224 | ||
| 24936489 | 24290 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257914 | 24290 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44377754 | 126728 | 0 | None | 478 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL349651 | 126728 | 0 | None | 478 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 589 | 14 | 3 | 8 | 4.7 | O=c1n(CCCC2CCCC2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44392212 | 175148 | 0 | None | -12 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL1204383 | 175148 | 0 | None | -12 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL434524 | 175148 | 0 | None | -12 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 16118894 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | ||
| 3467 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL276257 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 10.1016/s0960-894x(98)00381-3 | ||
| 44298843 | 203442 | 0 | None | 151 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56449 | 203442 | 0 | None | 151 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 435 | 9 | 1 | 4 | 5.7 | CCCCCCc1ccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)nc1 | 10.1016/s0960-894x(99)00277-2 | ||
| 145984044 | 172455 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 517 | 11 | 6 | 6 | 4.6 | COC(=O)Nc1cccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4244932 | 172455 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 517 | 11 | 6 | 6 | 4.6 | COC(=O)Nc1cccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 11221652 | 101855 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 344 | 6 | 4 | 3 | 3.8 | CC(Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25534 | 101855 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 344 | 6 | 4 | 3 | 3.8 | CC(Cc1c[nH]c2c(O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 11187476 | 102077 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25645 | 102077 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 67972107 | 143870 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 2 | 6 | 3.0 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1nnco1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747356 | 143870 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 444 | 6 | 2 | 6 | 3.0 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1C[C@H]2[C@@H](C1)[C@@H]2c1nnco1 | 10.1016/j.bmcl.2015.11.030 | ||
| 44472591 | 144799 | 0 | None | 1288 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 468 | 7 | 3 | 6 | 3.4 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764774 | 144799 | 0 | None | 1288 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 468 | 7 | 3 | 6 | 3.4 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 24937014 | 24180 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257554 | 24180 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52946357 | 24494 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258598 | 24494 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 44396568 | 74060 | 0 | None | 34 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL188196 | 74060 | 0 | None | 34 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396659 | 74138 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188622 | 74138 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 44298850 | 174962 | 0 | None | 263 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL433252 | 174962 | 0 | None | 263 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 461 | 8 | 1 | 4 | 6.1 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 65772 | 67177 | 8 | None | 2 | 11 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL174984 | 67177 | 8 | None | 2 | 11 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 145984040 | 172442 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 573 | 15 | 6 | 6 | 6.1 | CCCCCOC(=O)Nc1cccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4244608 | 172442 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 573 | 15 | 6 | 6 | 6.1 | CCCCCOC(=O)Nc1cccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 10092953 | 104811 | 0 | None | 34 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| CHEMBL273028 | 104811 | 0 | None | 34 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(C(=O)O)ccc1-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm701324c | ||
| 24950401 | 183804 | 0 | None | 147 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 481 | 8 | 3 | 6 | 4.5 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL463181 | 183804 | 0 | None | 147 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 481 | 8 | 3 | 6 | 4.5 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 24949726 | 196319 | 0 | None | 457 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL514265 | 196319 | 0 | None | 457 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)ccc1C(=O)O | 10.1021/jm800222k | ||
| 44298849 | 203231 | 0 | None | 251 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56308 | 203231 | 0 | None | 251 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 434 | 9 | 1 | 3 | 6.3 | CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| 76332893 | 112703 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 476 | 6 | 4 | 6 | 4.6 | Nc1nc2c(s1)CCCC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128197 | 112703 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 476 | 6 | 4 | 6 | 4.6 | Nc1nc2c(s1)CCCC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 44579941 | 190890 | 0 | None | 3 | 2 | Dog | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 10 | 3 | 5 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1N1CCCC1=O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL482627 | 190890 | 0 | None | 3 | 2 | Dog | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 494 | 10 | 3 | 5 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1N1CCCC1=O | 10.1016/j.bmcl.2008.08.009 | ||
| 127041558 | 143795 | 0 | None | 5754 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 476 | 5 | 2 | 5 | 4.0 | CC1(C)CC2(CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)C(=O)O1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3746280 | 143795 | 0 | None | 5754 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 476 | 5 | 2 | 5 | 4.0 | CC1(C)CC2(CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)C(=O)O1 | 10.1016/j.bmcl.2015.11.030 | ||
| 44579651 | 193935 | 0 | None | 14 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.1 | C[C@H](Cc1cccc(Oc2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL492006 | 193935 | 0 | None | 14 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.1 | C[C@H](Cc1cccc(Oc2cccc(C(=O)O)c2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 44268571 | 31403 | 0 | None | 138 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13432 | 31403 | 0 | None | 138 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 582 | 13 | 6 | 7 | 4.2 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(98)00170-x | ||
| 46881871 | 14926 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 411 | 9 | 4 | 7 | 2.7 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1091816 | 14926 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 411 | 9 | 4 | 7 | 2.7 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1csc(N)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| 76325667 | 112687 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 461 | 7 | 3 | 5 | 4.8 | CCc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128181 | 112687 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 461 | 7 | 3 | 5 | 4.8 | CCc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 44441231 | 154833 | 0 | None | 50 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393470 | 154833 | 0 | None | 50 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1cccc(-c2csc(C(=O)O)n2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 10940242 | 171977 | 0 | None | 31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL422876 | 171977 | 0 | None | 31 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 515 | 12 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(CCS(=O)(=O)NC(=O)c2ccccc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 213051 | 99354 | 2 | None | 4 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24350 | 99354 | 2 | None | 4 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | C[C@@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 10160869 | 19882 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 446 | 9 | 3 | 5 | 3.1 | CC1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1190409 | 19882 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 446 | 9 | 3 | 5 | 3.1 | CC1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL540816 | 19882 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 446 | 9 | 3 | 5 | 3.1 | CC1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 24895783 | 185713 | 0 | None | -6 | 2 | Dog | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL470292 | 185713 | 0 | None | -6 | 2 | Dog | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44565908 | 193903 | 0 | None | -75 | 3 | Dog | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL491726 | 193903 | 0 | None | -75 | 3 | Dog | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 512 | 11 | 4 | 8 | 2.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10239722 | 119235 | 0 | None | -44 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298326 | 119235 | 0 | None | -44 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccc(CN)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 24949416 | 194767 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 451 | 8 | 3 | 4 | 4.7 | O=C(O)COc1cccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL497281 | 194767 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 451 | 8 | 3 | 4 | 4.7 | O=C(O)COc1cccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 52948056 | 24291 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257915 | 24291 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44268498 | 105123 | 0 | None | 12 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL275114 | 105123 | 0 | None | 12 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 612 | 17 | 4 | 7 | 4.8 | CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 9871800 | 63262 | 0 | None | 120 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL163262 | 63262 | 0 | None | 120 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| 46882030 | 12540 | 0 | None | 39 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078576 | 12540 | 0 | None | 39 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881840 | 15180 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.3 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1093385 | 15180 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.3 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1204416 | 15180 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.3 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44392575 | 71146 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181300 | 71146 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 9871800 | 63262 | 0 | None | 120 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL163262 | 63262 | 0 | None | 120 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 534 | 9 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 12147227 | 68766 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 142109147 | 68766 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44386630 | 68766 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 69921317 | 68766 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL177442 | 68766 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 578 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4cccc5[nH]c(O)nc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 135995978 | 135254 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 556 | 8 | 5 | 10 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NC#N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL366657 | 135254 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 556 | 8 | 5 | 10 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NC#N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 44331425 | 11217 | 0 | None | 100 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101630 | 11217 | 0 | None | 100 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 576 | 13 | 6 | 8 | 2.5 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1016/s0960-894x(02)00608-x | ||
| 44313161 | 110552 | 0 | None | 100 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308860 | 110552 | 0 | None | 100 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44402821 | 76736 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 605 | 18 | 3 | 6 | 7.3 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL193944 | 76736 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 605 | 18 | 3 | 6 | 7.3 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| 10121514 | 11020 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 602 | 15 | 6 | 8 | 3.4 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100458 | 11020 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 602 | 15 | 6 | 8 | 3.4 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44301832 | 207854 | 1 | None | 301 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL60281 | 207854 | 1 | None | 301 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 592 | 17 | 3 | 7 | 6.8 | CCCCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44281424 | 107082 | 0 | None | 245 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL289249 | 107082 | 0 | None | 245 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 587 | 12 | 3 | 9 | 4.2 | O=C(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281408 | 120091 | 0 | None | 263 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33155 | 120091 | 0 | None | 263 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 646 | 13 | 4 | 10 | 4.4 | COC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 12049924 | 210576 | 0 | None | 69 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL68301 | 210576 | 0 | None | 69 | 3 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 606 | 13 | 3 | 9 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 16126657 | 143964 | 0 | None | 2 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 573 | 14 | 4 | 8 | 4.2 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL374867 | 143964 | 0 | None | 2 | 2 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 573 | 14 | 4 | 8 | 4.2 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| 145983042 | 172376 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 573 | 15 | 6 | 6 | 6.1 | CCCCCOC(=O)Nc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4242824 | 172376 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 573 | 15 | 6 | 6 | 6.1 | CCCCCOC(=O)Nc1ccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 10209243 | 174553 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 544 | 11 | 4 | 7 | 4.1 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CCCC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL430392 | 174553 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 544 | 11 | 4 | 7 | 4.1 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CCCC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 10475645 | 115721 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(N(C)CC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32115 | 115721 | 0 | None | - | 1 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 392 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(N(C)CC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44335560 | 12087 | 0 | None | 19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL106746 | 12087 | 0 | None | 19 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 53357711 | 71272 | 0 | None | -100 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814279 | 71272 | 0 | None | -100 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814280 | 71272 | 0 | None | -100 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 531 | 19 | 7 | 7 | 3.3 | O=C(O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 9871096 | 73424 | 0 | None | -158 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814268 | 73424 | 0 | None | -158 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852860 | 73424 | 0 | None | -158 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 24824228 | 167307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL411234 | 167307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 56672271 | 73315 | 0 | None | -398 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835859 | 73315 | 0 | None | -398 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852407 | 73315 | 0 | None | -398 | 4 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 530 | 19 | 7 | 7 | 2.7 | NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 45268136 | 203164 | 0 | None | -7 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203989 | 203164 | 0 | None | -7 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562669 | 203164 | 0 | None | -7 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 44517692 | 203448 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203990 | 203448 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564516 | 203448 | 0 | None | -14 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24824228 | 167307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL411234 | 167307 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2009.01.022 | ||
| 52948805 | 24527 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258704 | 24527 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44461468 | 112405 | 0 | None | 30 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL312364 | 112405 | 0 | None | 30 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44461485 | 113720 | 0 | None | 85 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL314893 | 113720 | 0 | None | 85 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44392499 | 133927 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 542 | 11 | 3 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(CS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL365669 | 133927 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 542 | 11 | 3 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(CS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44268253 | 24865 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 331 | 9 | 3 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12679 | 24865 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 331 | 9 | 3 | 5 | 2.4 | COc1ccc(C[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.095 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.06.031 | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmcl.2014.04.069 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/S0960-894X(96)00603-8 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/S0960-894X(96)00603-8 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/S0960-894X(96)00603-8 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/S0960-894X(96)00603-8 | ||
| 44311370 | 210931 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 317 | 9 | 3 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL70557 | 210931 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 317 | 9 | 3 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 12578 | 7723 | 61 | None | -186 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| 2755 | 7723 | 61 | None | -186 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| CHEMBL1374751 | 7723 | 61 | None | -186 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 10.1021/jm400348g | ||
| 123686 | 8762 | 51 | None | -12302 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 8762 | 51 | None | -12302 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 8762 | 51 | None | -12302 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 5311116 | 9114 | 9 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 544 | 9114 | 9 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| CHEMBL207802 | 9114 | 9 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 484 | 15 | 5 | 8 | 2.2 | N#Cc1cc(OCCOCC2CC2)ccc1OCC(CNCCNC(=O)Nc1ccc(cc1)O)O | 10.1021/jm400348g | ||
| 66653268 | 95026 | 0 | None | -3311 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 95026 | 0 | None | -3311 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 56598967 | 95036 | 0 | None | -2238 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| CHEMBL2348211 | 95036 | 0 | None | -2238 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 457 | 14 | 4 | 6 | 3.2 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccccc1 | 10.1021/jm400348g | ||
| 56598833 | 95042 | 0 | None | -436 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348217 | 95042 | 0 | None | -436 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 433 | 14 | 5 | 7 | 2.0 | CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1 | 10.1021/jm400348g | ||
| 56598832 | 95043 | 0 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 95043 | 0 | None | -4365 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 56597179 | 95044 | 0 | None | -2754 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348219 | 95044 | 0 | None | -2754 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 473 | 14 | 5 | 7 | 2.9 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 56598831 | 95918 | 0 | None | -1023 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348220 | 95918 | 0 | None | -1023 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2365796 | 95918 | 0 | None | -1023 | 3 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 459 | 15 | 5 | 7 | 2.3 | O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 1960 | 9632 | 67 | None | -1047 | 19 | Rat | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 439260 | 9632 | 67 | None | -1047 | 19 | Rat | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 505 | 9632 | 67 | None | -1047 | 19 | Rat | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL1437 | 9632 | 67 | None | -1047 | 19 | Rat | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00368 | 9632 | 67 | None | -1047 | 19 | Rat | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 155774 | 10868 | 40 | None | -2041 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 10868 | 40 | None | -2041 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 10868 | 40 | None | -2041 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 10868 | 40 | None | -2041 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 10868 | 40 | None | -2041 | 3 | Human | 4.0 | pEC50 | = | 4 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 10186687 | 12193 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 528 | 15 | 4 | 4 | 6.2 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107270 | 12193 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 528 | 15 | 4 | 4 | 6.2 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 46881616 | 14714 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 396 | 9 | 3 | 6 | 2.9 | Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1090424 | 14714 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 396 | 9 | 3 | 6 | 2.9 | Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46882084 | 12553 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078695 | 12553 | 0 | None | -1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(CCc2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44472610 | 144735 | 0 | None | -234 | 4 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764088 | 144735 | 0 | None | -234 | 4 | Rat | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 11419142 | 100257 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 434 | 9 | 3 | 3 | 5.7 | CC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24615 | 100257 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 434 | 9 | 3 | 3 | 5.7 | CC(Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 10100 | 10759 | 30 | None | -4 | 4 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | -4 | 4 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | -4 | 4 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | -4 | 4 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | -4 | 4 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 24895783 | 185713 | 0 | None | -6 | 2 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL470292 | 185713 | 0 | None | -6 | 2 | Dog | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 420 | 10 | 3 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 53318280 | 65429 | 0 | None | 70 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684578 | 65429 | 0 | None | 70 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 623 | 11 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 44580010 | 193578 | 0 | None | 46 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 441 | 10 | 3 | 5 | 4.7 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL489199 | 193578 | 0 | None | 46 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 441 | 10 | 3 | 5 | 4.7 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44268464 | 26183 | 0 | None | 10 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12939 | 26183 | 0 | None | 10 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 585 | 17 | 5 | 8 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 11270071 | 105766 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279931 | 105766 | 0 | None | -1 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 44392519 | 130570 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 493 | 11 | 4 | 6 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL362293 | 130570 | 0 | None | 1 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 493 | 11 | 4 | 6 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 10283146 | 114050 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL317003 | 114050 | 0 | None | 2 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 656 | 12 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 12017004 | 106932 | 0 | None | 426 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL287880 | 106932 | 0 | None | 426 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44281407 | 107081 | 0 | None | 229 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL289248 | 107081 | 0 | None | 229 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 666 | 14 | 4 | 10 | 3.6 | CS(=O)(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 12049925 | 105470 | 0 | None | 66 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL277613 | 105470 | 0 | None | 66 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 638 | 13 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 145983355 | 172580 | 0 | None | 26 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248093 | 172580 | 0 | None | 26 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 454 | 12 | 3 | 5 | 3.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44419254 | 89919 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 587 | 14 | 4 | 8 | 4.5 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL218210 | 89919 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 587 | 14 | 4 | 8 | 4.5 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| 10028830 | 9026 | 40 | None | 323 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 3932 | 9026 | 40 | None | 323 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4238084 | 9026 | 40 | None | 323 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44268352 | 22311 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12188 | 22311 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 380 | 10 | 4 | 6 | 1.3 | CS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44127169 | 203082 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1ncccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL562154 | 203082 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1ncccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44311756 | 211449 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 335 | 9 | 3 | 5 | 2.1 | COc1ccc(CCNC[C@@H](O)COc2ccc(F)c(O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL73770 | 211449 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 335 | 9 | 3 | 5 | 2.1 | COc1ccc(CCNC[C@@H](O)COc2ccc(F)c(O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 44309305 | 108936 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 513 | 12 | 4 | 8 | 1.6 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL302597 | 108936 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 513 | 12 | 4 | 8 | 1.6 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 122184835 | 129319 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 420 | 10 | 5 | 7 | 1.1 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601310 | 129319 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 420 | 10 | 5 | 7 | 1.1 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(CO)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 52943383 | 24353 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258142 | 24353 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 146015362 | 7734 | 10 | None | -891 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00063-4 | ||
| 3462 | 7734 | 10 | None | -891 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00063-4 | ||
| 5486546 | 7734 | 10 | None | -891 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL1204876 | 7734 | 10 | None | -891 | 5 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00063-4 | ||
| 44444363 | 100759 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 402 | 8 | 2 | 6 | 4.1 | O[C@@H](CNCCc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL248560 | 100759 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 402 | 8 | 2 | 6 | 4.1 | O[C@@H](CNCCc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 11324939 | 101238 | 1 | None | 6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25133 | 101238 | 1 | None | 6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 11221586 | 102257 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 6 | 3 | 2 | 4.4 | Cc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25724 | 102257 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 342 | 6 | 3 | 2 | 4.4 | Cc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 44268249 | 26286 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12994 | 26286 | 0 | None | -1 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 331 | 9 | 4 | 5 | 2.4 | C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44444154 | 162402 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 504 | 11 | 4 | 7 | 3.4 | CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL404626 | 162402 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 504 | 11 | 4 | 7 | 3.4 | CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2009.03.044 | ||
| 24823466 | 19603 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL1188436 | 19603 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL536330 | 19603 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 440 | 11 | 4 | 5 | 4.4 | O=C(O)COc1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 24822972 | 104307 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(C(=O)O)cc1 | 10.1021/jm701324c | ||
| CHEMBL270460 | 104307 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(CCNC[C@H](O)c2cccc(Cl)c2)ccc1-c1ccc(C(=O)O)cc1 | 10.1021/jm701324c | ||
| 44579650 | 193934 | 0 | None | 15 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL492005 | 193934 | 0 | None | 15 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 435 | 10 | 4 | 6 | 3.4 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 127037832 | 144830 | 0 | None | -2 | 4 | Rhesus macaque | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | -2 | 4 | Rhesus macaque | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 11324939 | 101238 | 1 | None | 6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25133 | 101238 | 1 | None | 6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | CC(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 10298968 | 64280 | 0 | None | 239 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 9 | 4 | 8 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL166085 | 64280 | 0 | None | 239 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 9 | 4 | 8 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 44402688 | 140370 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 647 | 14 | 3 | 6 | 7.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(CCc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL371247 | 140370 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 647 | 14 | 3 | 6 | 7.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(CCc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44285634 | 107184 | 0 | None | 22 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL290131 | 107184 | 0 | None | 22 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 576 | 17 | 3 | 7 | 6.3 | CCCCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 11342656 | 209438 | 0 | None | 165 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL61429 | 209438 | 0 | None | 165 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 634 | 13 | 3 | 7 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 15483880 | 106388 | 0 | None | 208 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL28405 | 106388 | 0 | None | 208 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 9938030 | 106801 | 0 | None | 138 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286859 | 106801 | 0 | None | 138 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281469 | 106893 | 0 | None | 57 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL287561 | 106893 | 0 | None | 57 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281097 | 121511 | 0 | None | 288 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33384 | 121511 | 0 | None | 288 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)c(F)c3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44444169 | 161776 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 580 | 13 | 4 | 7 | 4.6 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(Cc1ccccc1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL401335 | 161776 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 580 | 13 | 4 | 7 | 4.6 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(Cc1ccccc1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 76318362 | 112689 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 474 | 7 | 3 | 6 | 4.5 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(C3CC3)nc21 | 10.1021/jm4017224 | ||
| CHEMBL3128183 | 112689 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 474 | 7 | 3 | 6 | 4.5 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(C3CC3)nc21 | 10.1021/jm4017224 | ||
| 11810896 | 126260 | 0 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL345304 | 126260 | 0 | None | -3 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 375 | 9 | 4 | 4 | 3.1 | CC(=O)NCc1ccc(NC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm0101500 | ||
| 9871386 | 119048 | 5 | None | -56 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3290999 | 119048 | 5 | None | -56 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 90645345 | 119256 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298692 | 119256 | 0 | None | -11 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 574 | 12 | 6 | 8 | 4.7 | CC(C)(C)OC(=O)NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 90645346 | 119272 | 0 | None | -14 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298762 | 119272 | 0 | None | -14 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 578 | 13 | 6 | 7 | 4.7 | O=C(NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56658405 | 73362 | 0 | None | -25 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835856 | 73362 | 0 | None | -25 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852565 | 73362 | 0 | None | -25 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| 56668796 | 73376 | 0 | None | -39 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835860 | 73376 | 0 | None | -39 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852632 | 73376 | 0 | None | -39 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 598 | 20 | 7 | 7 | 4.3 | O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| 9871386 | 119048 | 5 | None | -56 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290999 | 119048 | 5 | None | -56 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 521 | 10 | 5 | 6 | 5.5 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 11797099 | 117239 | 0 | None | 19 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 434 | 11 | 4 | 5 | 3.7 | C[C@H](NCCc1ccc(N(CC(=O)O)Cc2ccccc2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32470 | 117239 | 0 | None | 19 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 434 | 11 | 4 | 5 | 3.7 | C[C@H](NCCc1ccc(N(CC(=O)O)Cc2ccccc2)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 11152564 | 106791 | 0 | None | 4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL286818 | 106791 | 0 | None | 4 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 44280957 | 119328 | 0 | None | 251 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL32996 | 119328 | 0 | None | 251 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 590 | 13 | 3 | 9 | 3.4 | O=C(CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1)N1CCCC1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44444378 | 101030 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250146 | 101030 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 2796082 | 13607 | 4 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083995 | 13607 | 4 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | ||
| 44574978 | 196069 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 4.0 | O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CCNC[C@H](O)COc3ccccc3)ccc21 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL512099 | 196069 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 524 | 12 | 2 | 6 | 4.0 | O=C(Cc1nccn1Cc1ccccc1)N1CCCc2cc(CCNC[C@H](O)COc3ccccc3)ccc21 | 10.1016/j.bmc.2009.03.044 | ||
| 44126931 | 202133 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 12 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551831 | 202133 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 12 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(c1ccccc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 2796082 | 13607 | 4 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1083995 | 13607 | 4 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 9915920 | 209549 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 564 | 14 | 5 | 8 | 2.7 | C[C@H](Cc1ccc(OCP(=O)(O)c2ccccc2)cc1)NC[C@H](O)COc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL62091 | 209549 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 564 | 14 | 5 | 8 | 2.7 | C[C@H](Cc1ccc(OCP(=O)(O)c2ccccc2)cc1)NC[C@H](O)COc1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/S0960-894X(96)00603-8 | ||
| 44309363 | 109417 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 559 | 8 | 4 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)ccc1O | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL304346 | 109417 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 559 | 8 | 4 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(S(=O)(=O)c3ccc4oc5ccccc5c4c3)CC2)ccc1O | 10.1016/s0960-894x(03)00387-1 | ||
| 10140428 | 210639 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 476 | 9 | 4 | 8 | 1.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL68685 | 210639 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 476 | 9 | 4 | 8 | 1.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44307113 | 176162 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL442172 | 176162 | 0 | None | -2 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 552 | 11 | 3 | 5 | 3.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44127480 | 203336 | 0 | None | -6 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL563810 | 203336 | 0 | None | -6 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 45273268 | 202408 | 0 | None | -194 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204004 | 202408 | 0 | None | -194 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556274 | 202408 | 0 | None | -194 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10100 | 10759 | 30 | None | -23 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | -23 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | -23 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | -23 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | -23 | 4 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 46881838 | 14709 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 393 | 9 | 3 | 6 | 2.4 | Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1090416 | 14709 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 393 | 9 | 3 | 6 | 2.4 | Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46833102 | 20978 | 0 | None | -79 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1084656 | 20978 | 0 | None | -79 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198882 | 20978 | 0 | None | -79 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.05.064 | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1016/j.bmc.2011.08.043 | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm801016j | ||
| 42625513 | 19331 | 0 | None | -2511 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| CHEMBL1186722 | 19331 | 0 | None | -2511 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| CHEMBL475389 | 19331 | 0 | None | -2511 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm801016j | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm100326d | ||
| 46832227 | 20969 | 2 | None | -5 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 13 | 5 | 6 | 1.1 | OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm100326d | ||
| CHEMBL1083884 | 20969 | 2 | None | -5 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 13 | 5 | 6 | 1.1 | OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm100326d | ||
| CHEMBL1198851 | 20969 | 2 | None | -5 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 327 | 13 | 5 | 6 | 1.1 | OCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm100326d | ||
| 10280222 | 11247 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 12 | 5 | 7 | 2.6 | CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL101836 | 11247 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 534 | 12 | 5 | 7 | 2.6 | CC(C)CNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10076885 | 106560 | 0 | None | 208 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL285242 | 106560 | 0 | None | 208 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 577 | 14 | 3 | 9 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCOC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44580009 | 193580 | 0 | None | 42 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.0 | Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL489201 | 193580 | 0 | None | 42 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 5.0 | Cc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 24949724 | 182507 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 388 | 6 | 3 | 4 | 3.6 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccnc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL458271 | 182507 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 388 | 6 | 3 | 4 | 3.6 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccnc2)CC3)cc1 | 10.1021/jm800222k | ||
| 45381932 | 129314 | 0 | None | 41 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 432 | 10 | 4 | 6 | 2.8 | CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601305 | 129314 | 0 | None | 41 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 432 | 10 | 4 | 6 | 2.8 | CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 10132882 | 101284 | 0 | None | 13 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251599 | 101284 | 0 | None | 13 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44377650 | 126983 | 0 | None | 389 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL351967 | 126983 | 0 | None | 389 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 577 | 13 | 3 | 6 | 4.6 | O=C1N(CCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44461706 | 212702 | 0 | None | 154 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL84117 | 212702 | 0 | None | 154 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 11270069 | 102476 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25823 | 102476 | 0 | None | -6 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 9873257 | 91720 | 16 | None | 47 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22375 | 91720 | 16 | None | 47 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| 44377535 | 62191 | 0 | None | 117 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 508 | 8 | 4 | 9 | 2.8 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL161949 | 62191 | 0 | None | 117 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 508 | 8 | 4 | 9 | 2.8 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 44392190 | 72357 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 421 | 10 | 5 | 5 | 3.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@H](O)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183211 | 72357 | 0 | None | -4 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 421 | 10 | 5 | 5 | 3.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@H](O)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44396739 | 134023 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 10 | 4 | 6 | 3.9 | COc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL365828 | 134023 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 471 | 10 | 4 | 6 | 3.9 | COc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 44306959 | 209862 | 0 | None | 29 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL63842 | 209862 | 0 | None | 29 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 520 | 11 | 4 | 7 | 2.8 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 9826638 | 210078 | 1 | None | 41 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64760 | 210078 | 1 | None | 41 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 484 | 12 | 4 | 7 | 3.2 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298256 | 203891 | 0 | None | 4 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56768 | 203891 | 0 | None | 4 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 426 | 9 | 1 | 6 | 4.7 | CCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| 1499 | 8872 | 47 | None | -338 | 38 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 3779 | 8872 | 47 | None | -338 | 38 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 536 | 8872 | 47 | None | -338 | 38 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| CHEMBL434 | 8872 | 47 | None | -338 | 38 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| DB01064 | 8872 | 47 | None | -338 | 38 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm00094a025 | ||
| 76325668 | 112688 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 462 | 7 | 3 | 6 | 4.2 | CCc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128182 | 112688 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 462 | 7 | 3 | 6 | 4.2 | CCc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| 44444166 | 101213 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 532 | 12 | 4 | 7 | 4.0 | CC(C)C1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL251176 | 101213 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 532 | 12 | 4 | 7 | 4.0 | CC(C)C1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| 12043159 | 106789 | 0 | None | 446 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL286800 | 106789 | 0 | None | 446 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44444369 | 100879 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 479 | 10 | 3 | 6 | 4.3 | CCc1nc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249164 | 100879 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 479 | 10 | 3 | 6 | 4.3 | CCc1nc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44219629 | 185348 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1nccn1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467083 | 185348 | 0 | None | 1 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1nccn1Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44461567 | 110951 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL309673 | 110951 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44461488 | 212154 | 0 | None | 776 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL79915 | 212154 | 0 | None | 776 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(99)00072-4 | ||
| 10553603 | 106474 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284612 | 106474 | 0 | None | -1 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 1.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(NC(=O)CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 53319639 | 65432 | 0 | None | 1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684582 | 65432 | 0 | None | 1 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 10187653 | 11108 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 554 | 11 | 5 | 7 | 3.5 | O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100970 | 11108 | 0 | None | 3 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 554 | 11 | 5 | 7 | 3.5 | O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 24812046 | 161971 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL402462 | 161971 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 10203259 | 19906 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 434 | 10 | 3 | 6 | 2.2 | CC1CCN(S(=O)(=O)Nc2ccc(OCCNC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1190536 | 19906 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 434 | 10 | 3 | 6 | 2.2 | CC1CCN(S(=O)(=O)Nc2ccc(OCCNC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL541072 | 19906 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 434 | 10 | 3 | 6 | 2.2 | CC1CCN(S(=O)(=O)Nc2ccc(OCCNC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44444356 | 160893 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 7 | 2 | 5 | 3.4 | Cc1nc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL398515 | 160893 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 339 | 7 | 2 | 5 | 3.4 | Cc1nc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 11349698 | 100964 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 386 | 9 | 3 | 3 | 4.9 | CCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24967 | 100964 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 386 | 9 | 3 | 3 | 4.9 | CCCOc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 44444167 | 101214 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 546 | 13 | 4 | 7 | 4.4 | CC(C)CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL251177 | 101214 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 546 | 13 | 4 | 7 | 4.4 | CC(C)CC1C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| 44579965 | 200034 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL523817 | 200034 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 45381852 | 129300 | 0 | None | 60 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 418 | 10 | 4 | 6 | 2.2 | CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601204 | 129300 | 0 | None | 60 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 418 | 10 | 4 | 6 | 2.2 | CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 10347866 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 10347866 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL22386 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL22386 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44461719 | 212643 | 0 | None | 630 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL83754 | 212643 | 0 | None | 630 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 10347866 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22386 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| 46881574 | 14555 | 0 | None | 218 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089386 | 14555 | 0 | None | 218 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1cc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10347866 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL22386 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00277-2 | ||
| 10099346 | 147851 | 0 | None | 125 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38254 | 147851 | 0 | None | 125 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10347866 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL22386 | 91782 | 1 | None | 851 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(00)00422-4 | ||
| 12049920 | 109409 | 0 | None | 54 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL304298 | 109409 | 0 | None | 54 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 12049916 | 209773 | 0 | None | 91 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63138 | 209773 | 0 | None | 91 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 576 | 11 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 10483845 | 209851 | 0 | None | 1479 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63760 | 209851 | 0 | None | 1479 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 608 | 11 | 3 | 8 | 5.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 12049926 | 209861 | 0 | None | 43 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63825 | 209861 | 0 | None | 43 | 3 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 654 | 14 | 3 | 10 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 9844606 | 117100 | 0 | None | 1000 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32391 | 117100 | 0 | None | 1000 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44127678 | 203081 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL562153 | 203081 | 0 | None | 2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1cc2ccccc2cn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 9896817 | 109662 | 0 | None | 22 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL305891 | 109662 | 0 | None | 22 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 45268128 | 203101 | 0 | None | -26 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203988 | 203101 | 0 | None | -26 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562315 | 203101 | 0 | None | -26 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 46881870 | 14871 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 407 | 9 | 3 | 6 | 3.0 | Cc1cc(C)n(C(C)C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1091479 | 14871 | 0 | None | - | 1 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 407 | 9 | 3 | 6 | 3.0 | Cc1cc(C)n(C(C)C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10273529 | 20066 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 10 | 4 | 5 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1191786 | 20066 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 10 | 4 | 5 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL542930 | 20066 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 418 | 10 | 4 | 5 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44268274 | 25622 | 0 | None | 24 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12813 | 25622 | 0 | None | 24 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 12043156 | 174928 | 0 | None | 63 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL433042 | 174928 | 0 | None | 63 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 575 | 14 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| 53326195 | 65428 | 0 | None | 144 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684577 | 65428 | 0 | None | 144 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 24822472 | 104189 | 0 | None | 38 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL269920 | 104189 | 0 | None | 38 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 4.9 | Cc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 52947562 | 24459 | 0 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258486 | 24459 | 0 | None | -3 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44377513 | 63284 | 0 | None | 131 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL163531 | 63284 | 0 | None | 131 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44392508 | 71995 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 494 | 11 | 3 | 6 | 4.3 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182614 | 71995 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 494 | 11 | 3 | 6 | 4.3 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 12017005 | 107045 | 0 | None | 131 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL288917 | 107045 | 0 | None | 131 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 560 | 13 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(CCC3CCCC3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10626150 | 106802 | 0 | None | 208 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL286868 | 106802 | 0 | None | 208 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 534 | 11 | 5 | 9 | 1.3 | CCOC(=O)CNC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 44281468 | 168661 | 0 | None | 131 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL415039 | 168661 | 0 | None | 131 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 623 | 12 | 3 | 8 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 9799092 | 54080 | 0 | None | 12 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154419 | 54080 | 0 | None | 12 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 11038599 | 54642 | 0 | None | 15 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154906 | 54642 | 0 | None | 15 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 516 | 11 | 5 | 6 | 3.7 | C[C@H](CNc1cccc(CNC(=O)NS(=O)(=O)c2ccccc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 9799092 | 54080 | 0 | None | 12 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL154419 | 54080 | 0 | None | 12 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 9799092 | 54080 | 0 | None | 12 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL154419 | 54080 | 0 | None | 12 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1ccc(CC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441226 | 100443 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL246908 | 100443 | 0 | None | -1 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1ccc(-c2nc(C(=O)O)co2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44441227 | 154828 | 0 | None | 7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393469 | 154828 | 0 | None | 7 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2nc(C(=O)O)co2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 56658407 | 73412 | 0 | None | -31 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835857 | 73412 | 0 | None | -31 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852796 | 73412 | 0 | None | -31 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 487 | 18 | 6 | 6 | 3.3 | NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 44335628 | 11608 | 0 | None | 66 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104222 | 11608 | 0 | None | 66 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 498 | 12 | 4 | 7 | 3.7 | CCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 52947487 | 23938 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 587 | 12 | 1 | 9 | 4.8 | OC(COc1ccccc1)CN(CCCN1CCOCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1256008 | 23938 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 587 | 12 | 1 | 9 | 4.8 | OC(COc1ccccc1)CN(CCCN1CCOCC1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52948572 | 24072 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 488 | 9 | 0 | 7 | 5.4 | COC(COc1ccccc1)CN(C)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257205 | 24072 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 488 | 9 | 0 | 7 | 5.4 | COC(COc1ccccc1)CN(C)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52944896 | 24073 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 486 | 6 | 0 | 7 | 5.1 | c1ccc(OCC2CN(C3CCN(c4ncnc5scc(-c6ccccc6)c45)CC3)CCO2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257206 | 24073 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 486 | 6 | 0 | 7 | 5.1 | c1ccc(OCC2CN(C3CCN(c4ncnc5scc(-c6ccccc6)c45)CC3)CCO2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52941935 | 24254 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 486 | 6 | 0 | 7 | 5.2 | O=C1OC(COc2ccccc2)CN1C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257796 | 24254 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 486 | 6 | 0 | 7 | 5.2 | O=C1OC(COc2ccccc2)CN1C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52943968 | 24566 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258824 | 24566 | 0 | None | -1 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52941547 | 24568 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 504 | 10 | 2 | 8 | 4.1 | OCCN(CC(O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258826 | 24568 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 504 | 10 | 2 | 8 | 4.1 | OCCN(CC(O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52950121 | 24569 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 8 | 1 | 7 | 4.6 | CC(=O)N(CC(O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258827 | 24569 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 502 | 8 | 1 | 7 | 4.6 | CC(=O)N(CC(O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52947654 | 24598 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 474 | 8 | 1 | 7 | 4.7 | CN(CC(O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258941 | 24598 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 474 | 8 | 1 | 7 | 4.7 | CN(CC(O)COc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52942807 | 24599 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 550 | 10 | 1 | 7 | 6.3 | OC(COc1ccccc1)CN(Cc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258942 | 24599 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 550 | 10 | 1 | 7 | 6.3 | OC(COc1ccccc1)CN(Cc1ccccc1)C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44268327 | 105075 | 0 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274807 | 105075 | 0 | None | 1 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 448 | 11 | 4 | 6 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44127167 | 203035 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1cccnc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561818 | 203035 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1cccnc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 9845280 | 84102 | 0 | None | 3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL208352 | 84102 | 0 | None | 3 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 424 | 9 | 3 | 5 | 4.5 | COC(=O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| 56665368 | 73233 | 0 | None | -158 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835854 | 73233 | 0 | None | -158 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852119 | 73233 | 0 | None | -158 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 501 | 18 | 6 | 6 | 4.2 | CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 42625587 | 19472 | 0 | None | -158 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| CHEMBL1187520 | 19472 | 0 | None | -158 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| CHEMBL506518 | 19472 | 0 | None | -158 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 562 | 18 | 4 | 7 | 4.3 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCCCC1 | 10.1021/jm801016j | ||
| 10741134 | 169521 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 426 | 9 | 4 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(N(C)CC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL417137 | 169521 | 0 | None | - | 1 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 426 | 9 | 4 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(N(C)CC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 1960 | 9632 | 67 | None | -1047 | 19 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 439260 | 9632 | 67 | None | -1047 | 19 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 505 | 9632 | 67 | None | -1047 | 19 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| CHEMBL1437 | 9632 | 67 | None | -1047 | 19 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| DB00368 | 9632 | 67 | None | -1047 | 19 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1021/jm00019a001 | ||
| 9891927 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL446840 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483200 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483201 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 9891927 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL446840 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL483200 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL483201 | 190976 | 9 | None | -10000 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 9803988 | 207125 | 1 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm701324c | ||
| CHEMBL59765 | 207125 | 1 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm701324c | ||
| 24950057 | 194740 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 471 | 7 | 3 | 4 | 5.7 | O=C(O)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)ccc1Cl | 10.1021/jm800222k | ||
| CHEMBL497115 | 194740 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 471 | 7 | 3 | 4 | 5.7 | O=C(O)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)ccc1Cl | 10.1021/jm800222k | ||
| 9803988 | 207125 | 1 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm800222k | ||
| CHEMBL59765 | 207125 | 1 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm800222k | ||
| 9803988 | 207125 | 1 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm8000345 | ||
| CHEMBL59765 | 207125 | 1 | None | 1 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm8000345 | ||
| 44308088 | 210376 | 0 | None | 316 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL66936 | 210376 | 0 | None | 316 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 46881701 | 13636 | 0 | None | 229 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084145 | 13636 | 0 | None | 229 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 477 | 9 | 3 | 8 | 3.0 | Cc1sc2ncn(CC(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)c(=O)c2c1C | 10.1016/j.bmcl.2010.01.130 | ||
| 14823035 | 148341 | 2 | None | 1 | 4 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
| CHEMBL38486 | 148341 | 2 | None | 1 | 4 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1021/jm00094a025 | ||
| 9832011 | 112258 | 0 | None | 19 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL312074 | 112258 | 0 | None | 19 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 644 | 13 | 6 | 7 | 6.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 76314766 | 112693 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 405 | 7 | 3 | 6 | 2.9 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)n1cccn1 | 10.1021/jm4017224 | ||
| CHEMBL3128187 | 112693 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 405 | 7 | 3 | 6 | 2.9 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)n1cccn1 | 10.1021/jm4017224 | ||
| 44335497 | 11594 | 0 | None | 50 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104180 | 11594 | 0 | None | 50 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 397 | 9 | 3 | 5 | 2.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44517694 | 201950 | 0 | None | -17 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203996 | 201950 | 0 | None | -17 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550445 | 201950 | 0 | None | -17 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 44392490 | 72017 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182708 | 72017 | 0 | None | -2 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44286983 | 148488 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL38569 | 148488 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 44287337 | 157937 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL39596 | 157937 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 10273799 | 20065 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 422 | 12 | 4 | 6 | 1.6 | COCCNS(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1191784 | 20065 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 422 | 12 | 4 | 6 | 1.6 | COCCNS(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL542928 | 20065 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 422 | 12 | 4 | 6 | 1.6 | COCCNS(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 24823131 | 104177 | 0 | None | 15 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl | 10.1021/jm701324c | ||
| CHEMBL269823 | 104177 | 0 | None | 15 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1Cl | 10.1021/jm701324c | ||
| 45280075 | 129141 | 0 | None | 91 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 430 | 10 | 4 | 6 | 2.5 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3600395 | 129141 | 0 | None | 91 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 430 | 10 | 4 | 6 | 2.5 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 3038500 | 16112 | 12 | None | 2 | 6 | Rhesus macaque | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 16112 | 12 | None | 2 | 6 | Rhesus macaque | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 44268475 | 104996 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 671 | 13 | 3 | 8 | 6.7 | CC(C)(C)OC(=O)N(CCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1)C[C@H](O)COc1ccc(O[Si](C)(C)C(C)(C)C)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL274312 | 104996 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 671 | 13 | 3 | 8 | 6.7 | CC(C)(C)OC(=O)N(CCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1)C[C@H](O)COc1ccc(O[Si](C)(C)C(C)(C)C)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44392566 | 71602 | 0 | None | -11 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C=C(C)CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181964 | 71602 | 0 | None | -11 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C=C(C)CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44444175 | 100797 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 530 | 11 | 4 | 7 | 3.7 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CCC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL248750 | 100797 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 530 | 11 | 4 | 7 | 3.7 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CCC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 10132882 | 101284 | 0 | None | -13 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251599 | 101284 | 0 | None | -13 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 355 | 8 | 2 | 6 | 3.2 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 9947512 | 161485 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 369 | 9 | 2 | 6 | 3.5 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL399785 | 161485 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 369 | 9 | 2 | 6 | 3.5 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 45271518 | 201863 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203999 | 201863 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549689 | 201863 | 0 | None | -25 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10115462 | 62705 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 459 | 7 | 3 | 6 | 3.5 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4cccc(Cl)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL162380 | 62705 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 459 | 7 | 3 | 6 | 3.5 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4cccc(Cl)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 44127681 | 201995 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 11 | 4 | 5 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL550746 | 201995 | 0 | None | -2 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 420 | 11 | 4 | 5 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44127054 | 202065 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551350 | 202065 | 0 | None | -6 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 46881653 | 14155 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 380 | 9 | 4 | 6 | 1.6 | Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1086411 | 14155 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 380 | 9 | 4 | 6 | 1.6 | Cc1nnc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881618 | 14786 | 0 | None | 8 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1090746 | 14786 | 0 | None | 8 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881899 | 14559 | 0 | None | 72 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089395 | 14559 | 0 | None | 72 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44335603 | 114207 | 0 | None | 446 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL318165 | 114207 | 0 | None | 446 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 538 | 16 | 4 | 6 | 5.0 | CCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335562 | 115318 | 0 | None | 112 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL320138 | 115318 | 0 | None | 112 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 558 | 14 | 4 | 6 | 4.7 | O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 10118962 | 20412 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 523 | 11 | 3 | 6 | 3.2 | CC(C)(Cc1ccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1194452 | 20412 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 523 | 11 | 3 | 6 | 3.2 | CC(C)(Cc1ccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL552668 | 20412 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 523 | 11 | 3 | 6 | 3.2 | CC(C)(Cc1ccc(NS(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 24823470 | 104216 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 10 | 3 | 4 | 4.3 | O=C(O)COc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL270025 | 104216 | 1 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 425 | 10 | 3 | 4 | 4.3 | O=C(O)COc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 24885648 | 23908 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1255596 | 23908 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 42639806 | 19290 | 0 | None | 40 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186584 | 19290 | 0 | None | 40 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL470858 | 19290 | 0 | None | 40 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 468 | 10 | 3 | 6 | 2.9 | COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44461489 | 212131 | 0 | None | 363 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL79675 | 212131 | 0 | None | 363 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 10099459 | 212475 | 1 | None | 128 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 10099459 | 212475 | 1 | None | 128 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL82296 | 212475 | 1 | None | 128 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL82296 | 212475 | 1 | None | 128 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44396681 | 74148 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 465 | 10 | 4 | 6 | 2.2 | CCS(=O)(=O)Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(S(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188663 | 74148 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 465 | 10 | 4 | 6 | 2.2 | CCS(=O)(=O)Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(S(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.09.054 | ||
| 44307065 | 210111 | 0 | None | 50 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64932 | 210111 | 0 | None | 50 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 445 | 11 | 3 | 6 | 2.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(F)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44307166 | 109498 | 0 | None | 5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL304878 | 109498 | 0 | None | 5 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 570 | 11 | 3 | 5 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298781 | 107470 | 0 | None | 54 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL292407 | 107470 | 0 | None | 54 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 443 | 10 | 1 | 3 | 5.3 | CCCCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 15483879 | 106559 | 0 | None | 223 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285240 | 106559 | 0 | None | 223 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 573 | 12 | 3 | 8 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 12049918 | 108987 | 0 | None | 72 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL302893 | 108987 | 0 | None | 72 | 3 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 624 | 12 | 3 | 9 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 10274448 | 20086 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 432 | 10 | 3 | 5 | 2.9 | CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1191988 | 20086 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 432 | 10 | 3 | 5 | 2.9 | CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL543162 | 20086 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 432 | 10 | 3 | 5 | 2.9 | CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 24812043 | 102843 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL260018 | 102843 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@H](Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 46881900 | 14560 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089396 | 14560 | 0 | None | 2 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 76322045 | 112690 | 0 | None | 13 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| CHEMBL3128184 | 112690 | 0 | None | 13 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 527 | 7 | 3 | 5 | 6.0 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| 46881901 | 14617 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089734 | 14617 | 0 | None | -3 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 4.9 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44331766 | 11430 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 449 | 9 | 3 | 4 | 4.3 | O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL103137 | 11430 | 0 | None | 2 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 449 | 9 | 3 | 4 | 4.3 | O[C@@H](CNCC1CCN(CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12 | 10.1016/s0960-894x(02)00607-8 | ||
| 12043157 | 123528 | 0 | None | 34 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33755 | 123528 | 0 | None | 34 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 589 | 14 | 3 | 8 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(CCCC3CCCCC3)n2)cc1 | 10.1016/s0960-894x(00)00267-5 | ||
| 46881699 | 12365 | 0 | None | 177 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1077238 | 12365 | 0 | None | 177 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881700 | 13635 | 0 | None | 158 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084144 | 13635 | 0 | None | 158 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 443 | 9 | 3 | 7 | 2.3 | O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881531 | 13761 | 0 | None | 501 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084667 | 13761 | 0 | None | 501 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1n[nH]c2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 12017015 | 129872 | 0 | None | 131 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL36101 | 129872 | 0 | None | 131 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 546 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 12017013 | 143059 | 0 | None | 338 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL37335 | 143059 | 0 | None | 338 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 588 | 13 | 3 | 8 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10841171 | 123802 | 0 | None | 131 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL338976 | 123802 | 0 | None | 131 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1 | 10.1021/jm000286i | ||
| 11026016 | 53474 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL153916 | 53474 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 411 | 10 | 4 | 5 | 2.5 | C[C@H](CNc1ccc(CNS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 10902809 | 54851 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL155072 | 54851 | 0 | None | -3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 304 | 7 | 3 | 3 | 3.5 | C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 11005613 | 126577 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL348269 | 126577 | 0 | None | -1 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 501 | 12 | 4 | 5 | 4.3 | Cc1ccc(S(=O)(=O)NCCc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 44281425 | 107083 | 0 | None | 15 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL289250 | 107083 | 0 | None | 15 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 612 | 13 | 4 | 9 | 4.3 | CC(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 31729 | 212563 | 10 | None | -7 | 7 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL83063 | 212563 | 10 | None | -7 | 7 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 287 | 6 | 4 | 4 | 2.4 | CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44392212 | 175148 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204383 | 175148 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434524 | 175148 | 0 | None | -12 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 56675509 | 71270 | 0 | None | -79 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814270 | 71270 | 0 | None | -79 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 9849126 | 19211 | 0 | None | -5011 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1185969 | 19211 | 0 | None | -5011 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL443435 | 19211 | 0 | None | -5011 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 507 | 18 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1 | 10.1021/jm801016j | ||
| 42625743 | 19373 | 0 | None | 12 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186943 | 19373 | 0 | None | 12 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483407 | 19373 | 0 | None | 12 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCCOCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 11605652 | 19327 | 0 | None | -1995 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186715 | 19327 | 0 | None | -1995 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL475236 | 19327 | 0 | None | -1995 | 3 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 3038500 | 16112 | 12 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 16112 | 12 | None | -2 | 6 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 24822645 | 102268 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 | 10.1021/jm701324c | ||
| CHEMBL257297 | 102268 | 0 | None | 15 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(Cl)c1 | 10.1021/jm701324c | ||
| 24822974 | 104588 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL271945 | 104588 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24950718 | 182777 | 0 | None | 398 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 | 10.1021/jm800222k | ||
| CHEMBL458927 | 182777 | 0 | None | 398 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 435 | 6 | 3 | 3 | 5.2 | Cc1cc(C(=O)O)ccc1-c1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(Cl)cc1)CC2 | 10.1021/jm800222k | ||
| 24937137 | 24530 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258707 | 24530 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmcl.2009.06.083 | ||
| 24822974 | 104588 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL271945 | 104588 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24822974 | 104588 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL271945 | 104588 | 0 | None | 1 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 76322043 | 112684 | 0 | None | -1 | 4 | Rhesus macaque | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| CHEMBL3128178 | 112684 | 0 | None | -1 | 4 | Rhesus macaque | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| 44396509 | 74073 | 0 | None | 6 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 11 | 4 | 6 | 5.1 | CC(C)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL188315 | 74073 | 0 | None | 6 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 11 | 4 | 6 | 5.1 | CC(C)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | ||
| 44396615 | 74082 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 10 | 4 | 6 | 3.2 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188368 | 74082 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 513 | 10 | 4 | 6 | 3.2 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 142109146 | 136599 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 607 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44385888 | 136599 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 607 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 69923118 | 136599 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 607 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 88054366 | 136599 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 607 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL367561 | 136599 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 607 | 8 | 6 | 9 | 2.3 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c5c4CCC(=O)N5)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44402691 | 148089 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 619 | 12 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL383379 | 148089 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 619 | 12 | 3 | 6 | 7.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301842 | 205650 | 0 | None | 3162 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL58407 | 205650 | 0 | None | 3162 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 606 | 11 | 3 | 7 | 6.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44281530 | 106596 | 0 | None | 363 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285499 | 106596 | 0 | None | 363 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 609 | 12 | 3 | 8 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44280904 | 106737 | 0 | None | 1047 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286438 | 106737 | 0 | None | 1047 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 632 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(-c4ccccn4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 145983829 | 172528 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 15 | 6 | 5 | 5.9 | CCCCCC(=O)Nc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4246625 | 172528 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 557 | 15 | 6 | 5 | 5.9 | CCCCCC(=O)Nc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 9804536 | 172476 | 0 | None | 7 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4245391 | 172476 | 0 | None | 7 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 465 | 11 | 4 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)c1ccccc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 127037832 | 144830 | 0 | None | 2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | 2 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 24895192 | 196643 | 0 | None | 151 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 4.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(F)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL516804 | 196643 | 0 | None | 151 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 4.8 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(F)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44268570 | 104971 | 0 | None | 346 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL274144 | 104971 | 0 | None | 346 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 598 | 17 | 5 | 7 | 4.8 | CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44392228 | 71636 | 0 | None | 7 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 441 | 11 | 5 | 5 | 3.1 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL182127 | 71636 | 0 | None | 7 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 441 | 11 | 5 | 5 | 3.1 | O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 | 10.1016/j.bmcl.2004.11.001 | ||
| 145985509 | 172427 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 472 | 12 | 5 | 4 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4244123 | 172427 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 472 | 12 | 5 | 4 | 4.1 | O=C(NCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 567 | 7512 | 16 | None | 2 | 7 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 9841972 | 7512 | 16 | None | 2 | 7 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| CHEMBL284782 | 7512 | 16 | None | 2 | 7 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 10002049 | 104217 | 0 | None | -3 | 2 | Dog | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL270026 | 104217 | 0 | None | -3 | 2 | Dog | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 417 | 10 | 3 | 3 | 5.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 44472612 | 144696 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1cccnc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3763594 | 144696 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1cccnc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 24823627 | 164898 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 467 | 10 | 3 | 5 | 4.1 | CC(C)S(=O)(=O)c1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL408693 | 164898 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 467 | 10 | 3 | 5 | 4.1 | CC(C)S(=O)(=O)c1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24937013 | 24221 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257676 | 24221 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 15523859 | 212712 | 0 | None | 173 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 15523859 | 212712 | 0 | None | 173 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL84190 | 212712 | 0 | None | 173 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL84190 | 212712 | 0 | None | 173 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm020177z | ||
| 44268478 | 169593 | 0 | None | 47 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL417250 | 169593 | 0 | None | 47 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 561 | 13 | 5 | 7 | 4.0 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| 12017017 | 134259 | 0 | None | 1513 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL36609 | 134259 | 0 | None | 1513 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 606 | 13 | 3 | 8 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 9849699 | 80039 | 16 | None | 2 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012520 | 80039 | 16 | None | 2 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012521 | 80039 | 16 | None | 2 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012522 | 80039 | 16 | None | 2 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| 24950409 | 200226 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 6 | 3 | 4 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
| CHEMBL526472 | 200226 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 427 | 6 | 3 | 4 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
| 24895667 | 183630 | 0 | None | 208 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL461282 | 183630 | 0 | None | 208 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 453 | 10 | 3 | 4 | 5.4 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 24894319 | 196638 | 0 | None | 213 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 435 | 11 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL516785 | 196638 | 0 | None | 213 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 435 | 11 | 3 | 5 | 4.5 | CC(C)Oc1cc(-c2ccc(OCCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44268572 | 32437 | 0 | None | 416 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13521 | 32437 | 0 | None | 416 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 572 | 16 | 6 | 8 | 2.9 | COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44396654 | 129971 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 531 | 10 | 4 | 6 | 3.4 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL361300 | 129971 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 531 | 10 | 4 | 6 | 3.4 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(F)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 44402733 | 140883 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 625 | 12 | 3 | 6 | 7.4 | CC(C)(C)c1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL371641 | 140883 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 625 | 12 | 3 | 6 | 7.4 | CC(C)(C)c1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44298497 | 201478 | 0 | None | 218 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53359 | 201478 | 0 | None | 218 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 464 | 11 | 1 | 5 | 5.9 | CCCCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44301819 | 107839 | 0 | None | 660 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294753 | 107839 | 0 | None | 660 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 612 | 11 | 3 | 7 | 6.8 | CC(C)(C)c1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 145983629 | 172674 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 462 | 10 | 5 | 4 | 4.5 | O=C(Nc1ccc(F)cc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4249769 | 172674 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 462 | 10 | 5 | 4 | 4.5 | O=C(Nc1ccc(F)cc1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 52949488 | 24318 | 0 | None | 3 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258023 | 24318 | 0 | None | 3 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 127037832 | 144830 | 0 | None | -2 | 4 | Rhesus macaque | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | -2 | 4 | Rhesus macaque | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 44377315 | 64149 | 0 | None | 398 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL165177 | 64149 | 0 | None | 398 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 605 | 14 | 3 | 6 | 5.4 | O=C1N(CCCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44392215 | 72376 | 0 | None | -1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183307 | 72376 | 0 | None | -1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 465 | 12 | 5 | 6 | 3.3 | COc1ccc(NC(=O)Nc2ccc(C[C@@H](CO)NC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 42640122 | 202954 | 0 | None | -2 | 2 | Dog | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL492401 | 202954 | 0 | None | -2 | 2 | Dog | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL561335 | 202954 | 0 | None | -2 | 2 | Dog | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 56678973 | 73353 | 0 | None | -2 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835855 | 73353 | 0 | None | -2 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852541 | 73353 | 0 | None | -2 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 555 | 18 | 6 | 6 | 5.6 | O=C(Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCCC1 | 10.1016/j.bmc.2011.08.043 | ||
| 44268320 | 25198 | 0 | None | 58 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12718 | 25198 | 0 | None | 58 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 456 | 11 | 4 | 6 | 3.1 | Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 127026491 | 144722 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 7 | 3 | 7 | 2.2 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3763998 | 144722 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 433 | 7 | 3 | 7 | 2.2 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 24895671 | 185673 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 434 | 10 | 4 | 5 | 4.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL469884 | 185673 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 434 | 10 | 4 | 5 | 4.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44377753 | 126708 | 0 | None | 5011 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL349505 | 126708 | 0 | None | 5011 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 605 | 12 | 3 | 8 | 4.0 | O=c1n(Cc2ccc(F)c(F)c2)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44268479 | 27661 | 0 | None | 81 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13106 | 27661 | 0 | None | 81 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 543 | 13 | 5 | 8 | 3.7 | CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 145983617 | 172646 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 517 | 11 | 6 | 6 | 4.6 | COC(=O)Nc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4249199 | 172646 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 517 | 11 | 6 | 6 | 4.6 | COC(=O)Nc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24812044 | 102715 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@H](Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL259361 | 102715 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@H](Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 44444171 | 101278 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 546 | 13 | 4 | 7 | 4.3 | CCC1(CC)C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL251579 | 101278 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 546 | 13 | 4 | 7 | 4.3 | CCC1(CC)C(=O)Nc2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2007.09.011 | ||
| 127037832 | 144830 | 0 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | 2 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 44402694 | 76300 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL193410 | 76300 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301806 | 107496 | 0 | None | 2238 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL292598 | 107496 | 0 | None | 2238 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ncccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 11165102 | 100749 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 386 | 8 | 3 | 3 | 4.9 | CC(Cc1c[nH]c2c(OC(C)C)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24851 | 100749 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 386 | 8 | 3 | 3 | 4.9 | CC(Cc1c[nH]c2c(OC(C)C)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 24949418 | 194893 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL498302 | 194893 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| 52946537 | 24495 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258599 | 24495 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 42639311 | 19296 | 0 | None | 56 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1186600 | 19296 | 0 | None | 56 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL472089 | 19296 | 0 | None | 56 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 524 | 14 | 3 | 6 | 4.5 | CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44268604 | 43398 | 0 | None | 70 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL144870 | 43398 | 0 | None | 70 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 598 | 18 | 6 | 7 | 4.9 | CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44396574 | 74053 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 597 | 10 | 4 | 7 | 4.1 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccc(Br)s4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188178 | 74053 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 597 | 10 | 4 | 7 | 4.1 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccc(Br)s4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 145985368 | 172722 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 450 | 10 | 5 | 4 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)NC1CCCCC1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4251063 | 172722 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 450 | 10 | 5 | 4 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)NC1CCCCC1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24822974 | 104588 | 0 | None | -1 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL271945 | 104588 | 0 | None | -1 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24822974 | 104588 | 0 | None | -1 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL271945 | 104588 | 0 | None | -1 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 42639810 | 19283 | 0 | None | -4 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 530 | 11 | 3 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| CHEMBL1186551 | 19283 | 0 | None | -4 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 530 | 11 | 3 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| CHEMBL469396 | 19283 | 0 | None | -4 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 530 | 11 | 3 | 6 | 4.7 | CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1 | 10.1021/jm9000709 | ||
| 24822974 | 104588 | 0 | None | -1 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL271945 | 104588 | 0 | None | -1 | 2 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 419 | 10 | 3 | 4 | 4.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 24936627 | 24458 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258485 | 24458 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 44392542 | 72636 | 0 | None | 6 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL183552 | 72636 | 0 | None | 6 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 145984563 | 172573 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 462 | 10 | 5 | 4 | 4.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)Nc1cccc(F)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4247910 | 172573 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 462 | 10 | 5 | 4 | 4.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)Nc1cccc(F)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 9858463 | 100909 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249336 | 100909 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cocn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 24950240 | 183789 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 7 | 3 | 5 | 3.8 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccnc2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL462780 | 183789 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 7 | 3 | 5 | 3.8 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccnc2)CC3)c1 | 10.1021/jm800222k | ||
| 24936488 | 24421 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258373 | 24421 | 0 | None | 3 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 44377687 | 64218 | 0 | None | 50 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL165513 | 64218 | 0 | None | 50 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 579 | 16 | 3 | 6 | 5.0 | CCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 9915235 | 211176 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 539 | 10 | 3 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1OC | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL71948 | 211176 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 539 | 10 | 3 | 7 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1OC | 10.1016/s0960-894x(03)00387-1 | ||
| 44396784 | 74175 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 513 | 12 | 4 | 6 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)CCCCl)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188815 | 74175 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 513 | 12 | 4 | 6 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)CCCCl)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 9827999 | 137682 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL368584 | 137682 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 519 | 9 | 5 | 10 | 0.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(Cn4oc(=O)[nH]c4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 10145446 | 10955 | 0 | None | 102 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 602 | 14 | 5 | 8 | 3.6 | O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100124 | 10955 | 0 | None | 102 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 602 | 14 | 5 | 8 | 3.6 | O=C(NCCCc1cccs1)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10575455 | 106754 | 1 | None | 13 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL286574 | 106754 | 1 | None | 13 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 448 | 8 | 5 | 7 | 1.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44268305 | 105073 | 0 | None | -19 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274782 | 105073 | 0 | None | -19 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10201549 | 101285 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 409 | 8 | 2 | 6 | 3.9 | O[C@@H](CNCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251600 | 101285 | 1 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 409 | 8 | 2 | 6 | 3.9 | O[C@@H](CNCCOc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 9858464 | 162297 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cnco2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL404209 | 162297 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2cnco2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44574757 | 185264 | 0 | None | 12 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 511 | 14 | 3 | 6 | 4.4 | O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466467 | 185264 | 0 | None | 12 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 511 | 14 | 3 | 6 | 4.4 | O=C(Cc1cccc(OCc2ccccc2)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44517696 | 202550 | 0 | None | -17 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204007 | 202550 | 0 | None | -17 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557705 | 202550 | 0 | None | -17 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10168241 | 12050 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 633 | 19 | 6 | 8 | 4.3 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106512 | 12050 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 633 | 19 | 6 | 8 | 4.3 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c(NS(C)(=O)=O)c3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44268262 | 26207 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12949 | 26207 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 49861320 | 61740 | 0 | None | -20 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204003 | 61740 | 0 | None | -20 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1615579 | 61740 | 0 | None | -20 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 2687 | 7676 | 16 | None | -162 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1016/S0960-894X(96)00603-8 | ||
| 532 | 7676 | 16 | None | -162 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1016/S0960-894X(96)00603-8 | ||
| 5387 | 7676 | 16 | None | -162 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL420746 | 7676 | 16 | None | -162 | 2 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10.1016/S0960-894X(96)00603-8 | ||
| 44311371 | 210910 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 317 | 9 | 3 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)COc2cccc(O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL70403 | 210910 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 317 | 9 | 3 | 5 | 2.0 | COc1ccc(CCNC[C@@H](O)COc2cccc(O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 53326196 | 65430 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684580 | 65430 | 0 | None | -1 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(03)00073-8 | ||
| 44580041 | 200087 | 0 | None | 9 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL524145 | 200087 | 0 | None | 9 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(O)c1cc(NC(=O)c2ccccc2)cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 52949489 | 24319 | 0 | None | 12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258024 | 24319 | 0 | None | 12 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10135864 | 129296 | 0 | None | 10 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 9 | 4 | 6 | 1.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601200 | 129296 | 0 | None | 10 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 404 | 9 | 4 | 6 | 1.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 44377517 | 64006 | 0 | None | 239 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL165015 | 64006 | 0 | None | 239 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 551 | 14 | 3 | 6 | 4.2 | CCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 46881936 | 13939 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ncc[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085442 | 13939 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 427 | 9 | 4 | 5 | 3.6 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ncc[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881576 | 14616 | 0 | None | 28 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089725 | 14616 | 0 | None | 28 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 416 | 9 | 3 | 6 | 3.3 | O=C(Cc1nc2ccccc2o1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44396678 | 133317 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 441 | 9 | 4 | 5 | 3.9 | O=S(=O)(Nc1cccc([C@@H](O)CNCCc2c[nH]c3ccccc23)c1)c1cccs1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL365215 | 133317 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 441 | 9 | 4 | 5 | 3.9 | O=S(=O)(Nc1cccc([C@@H](O)CNCCc2c[nH]c3ccccc23)c1)c1cccs1 | 10.1016/j.bmcl.2004.09.054 | ||
| 12017018 | 149116 | 0 | None | 95 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38861 | 149116 | 0 | None | 95 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 638 | 13 | 3 | 8 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(COc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 46881798 | 15349 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 365 | 9 | 3 | 6 | 1.8 | O=C(Cn1cccn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1094715 | 15349 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 365 | 9 | 3 | 6 | 1.8 | O=C(Cn1cccn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 11222097 | 174090 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL429396 | 174090 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1ccc2c(CC(C)NCC(O)c3cccc(Cl)c3)c[nH]c2c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 70792359 | 112694 | 0 | None | -5 | 4 | Dog | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| CHEMBL3128188 | 112694 | 0 | None | -5 | 4 | Dog | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| 24949260 | 194657 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 9 | 3 | 5 | 4.8 | O=C(O)COc1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL496467 | 194657 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 467 | 9 | 3 | 5 | 4.8 | O=C(O)COc1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 46881615 | 15181 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 381 | 9 | 4 | 8 | 0.8 | Nc1ncn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1093387 | 15181 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 381 | 9 | 4 | 8 | 0.8 | Nc1ncn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44392238 | 72309 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 524 | 11 | 6 | 5 | 4.9 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183080 | 72309 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 524 | 11 | 6 | 5 | 4.9 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2cccc3[nH]c4ccccc4c23)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44402730 | 148018 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 570 | 12 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL382962 | 148018 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 570 | 12 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44307063 | 210113 | 0 | None | 10 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64935 | 210113 | 0 | None | 10 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 505 | 11 | 3 | 6 | 3.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44307333 | 210453 | 0 | None | 28 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67416 | 210453 | 0 | None | 28 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 472 | 12 | 4 | 8 | 2.0 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 12017006 | 107173 | 0 | None | 64 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL290053 | 107173 | 0 | None | 64 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 608 | 11 | 3 | 7 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44301804 | 174960 | 0 | None | 181 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL433248 | 174960 | 0 | None | 181 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccn3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 12049917 | 209805 | 0 | None | 114 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63357 | 209805 | 0 | None | 114 | 3 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 588 | 12 | 3 | 9 | 4.1 | COc1ccc(-c2cnn(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1F | 10.1016/s0960-894x(00)00422-4 | ||
| 10690668 | 127377 | 0 | None | 478 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 372 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL35459 | 127377 | 0 | None | 478 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 372 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 11270071 | 105766 | 0 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL279931 | 105766 | 0 | None | -1 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 10297331 | 101141 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 12 | 2 | 7 | 4.2 | O[C@@H](CNCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250760 | 101141 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 445 | 12 | 2 | 7 | 4.2 | O[C@@H](CNCCOc1ccc(-c2coc(COCc3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44377483 | 64262 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 463 | 8 | 4 | 7 | 1.8 | CN(c1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O)S(C)(=O)=O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL165892 | 64262 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 463 | 8 | 4 | 7 | 1.8 | CN(c1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O)S(C)(=O)=O | 10.1016/s0960-894x(01)00063-4 | ||
| 9803765 | 106423 | 0 | None | 223 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 449 | 8 | 5 | 7 | 1.8 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284311 | 106423 | 0 | None | 223 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 449 | 8 | 5 | 7 | 1.8 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44311119 | 171304 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 9 | 4 | 6 | 1.8 | COc1ccc(CCNC[C@@H](O)COc2cccc3[nH]c(O)nc23)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL421489 | 171304 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 357 | 9 | 4 | 6 | 1.8 | COc1ccc(CCNC[C@@H](O)COc2cccc3[nH]c(O)nc23)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 46881529 | 14034 | 0 | None | 13 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 375 | 9 | 3 | 4 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085898 | 14034 | 0 | None | 13 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 375 | 9 | 3 | 4 | 3.1 | O=C(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44444359 | 101282 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 353 | 8 | 2 | 5 | 3.6 | CCc1nc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251592 | 101282 | 0 | None | - | 1 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 353 | 8 | 2 | 5 | 3.6 | CCc1nc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 10162876 | 19691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 10 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCC(c2ccccc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1189086 | 19691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 10 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCC(c2ccccc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL538024 | 19691 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 480 | 10 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCC(c2ccccc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 10007337 | 123478 | 0 | None | 131 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33725 | 123478 | 0 | None | 131 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 535 | 14 | 3 | 8 | 4.5 | CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44307186 | 210547 | 0 | None | 4 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL68021 | 210547 | 0 | None | 4 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 455 | 12 | 3 | 6 | 3.0 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 10209574 | 12211 | 0 | None | 22 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107382 | 12211 | 0 | None | 22 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1cc(F)ccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 11791723 | 117342 | 0 | None | 26 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 5 | 5 | 2.1 | C[C@H](NCCc1ccc(NCC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32532 | 117342 | 0 | None | 26 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 5 | 5 | 2.1 | C[C@H](NCCc1ccc(NCC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44444367 | 101055 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 465 | 9 | 3 | 6 | 4.0 | Cc1nc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250385 | 101055 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 465 | 9 | 3 | 6 | 4.0 | Cc1nc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1 | 10.1016/j.bmcl.2007.06.072 | ||
| 45271517 | 201830 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203998 | 201830 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549487 | 201830 | 0 | None | -16 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272430 | 202223 | 0 | None | -36 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204001 | 202223 | 0 | None | -36 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552374 | 202223 | 0 | None | -36 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44385592 | 179547 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 516 | 9 | 6 | 9 | 0.4 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CC4N=C(N)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL451185 | 179547 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 516 | 9 | 6 | 9 | 0.4 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CC4N=C(N)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 44285225 | 160355 | 0 | None | 4 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL39804 | 160355 | 0 | None | 4 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 562 | 13 | 3 | 7 | 5.8 | CC(C)(C)CCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 46889771 | 13766 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1084706 | 13766 | 0 | None | -2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 24812045 | 103023 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@@H](Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL260996 | 103023 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | C[C@@H](Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 10296491 | 19982 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 432 | 9 | 3 | 5 | 2.6 | C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)C1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1191144 | 19982 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 432 | 9 | 3 | 5 | 2.6 | C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)C1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL542200 | 19982 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 432 | 9 | 3 | 5 | 2.6 | C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)C1 | 10.1016/s0960-894x(04)00462-7 | ||
| 50995330 | 143781 | 0 | None | 218 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.1 | Nc1nc(CNC(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3746068 | 143781 | 0 | None | 218 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 422 | 7 | 4 | 6 | 3.1 | Nc1nc(CNC(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)cs1 | 10.1016/j.bmcl.2015.11.030 | ||
| 24949885 | 200160 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 9 | 3 | 5 | 4.8 | O=C(O)COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL525358 | 200160 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 467 | 9 | 3 | 5 | 4.8 | O=C(O)COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| 52948728 | 24219 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257674 | 24219 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44377523 | 63005 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 509 | 9 | 3 | 8 | 1.0 | O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL162711 | 63005 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 509 | 9 | 3 | 8 | 1.0 | O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1 | 10.1016/s0960-894x(01)00063-4 | ||
| 46881981 | 12512 | 0 | None | 288 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078395 | 12512 | 0 | None | 288 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCn1cccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881575 | 14556 | 0 | None | 316 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089387 | 14556 | 0 | None | 316 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 416 | 9 | 3 | 7 | 2.3 | O=C(Cn1nc2ccccc2n1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44306956 | 210126 | 0 | None | 12 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL65042 | 210126 | 0 | None | 12 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 495 | 11 | 3 | 6 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00381-3 | ||
| 12049915 | 109616 | 0 | None | 389 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL305558 | 109616 | 0 | None | 389 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 12049921 | 210356 | 0 | None | 208 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL66789 | 210356 | 0 | None | 208 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cccc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44444153 | 101210 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 490 | 11 | 4 | 7 | 2.8 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1CC(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL251167 | 101210 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 490 | 11 | 4 | 7 | 2.8 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1CC(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 44419332 | 148538 | 0 | None | -3 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL386016 | 148538 | 0 | None | -3 | 3 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| 11270069 | 102476 | 0 | None | -6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25823 | 102476 | 0 | None | -6 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 44126933 | 202944 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561291 | 202944 | 0 | None | -1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 4421983 | 14051 | 5 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086005 | 14051 | 5 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 46881799 | 15397 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.1 | Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1095042 | 15397 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.1 | Cc1ccn(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| 52948612 | 24102 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 504 | 9 | 3 | 8 | 4.1 | O=C(O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257323 | 24102 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 504 | 9 | 3 | 8 | 4.1 | O=C(O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 127037832 | 144830 | 0 | None | -147 | 4 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | -147 | 4 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 10138551 | 20670 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 446 | 10 | 4 | 5 | 3.3 | CC(C)(Cc1ccc(NS(=O)(=O)NC2CCCCC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1196238 | 20670 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 446 | 10 | 4 | 5 | 3.3 | CC(C)(Cc1ccc(NS(=O)(=O)NC2CCCCC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL556202 | 20670 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 446 | 10 | 4 | 5 | 3.3 | CC(C)(Cc1ccc(NS(=O)(=O)NC2CCCCC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44268266 | 24780 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12633 | 24780 | 0 | None | 3 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 317 | 8 | 4 | 5 | 2.1 | C[C@@H](Cc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44268277 | 29080 | 0 | None | 2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13238 | 29080 | 0 | None | 2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 408 | 11 | 4 | 6 | 2.1 | CC(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 3038500 | 16112 | 12 | None | -9 | 6 | Dog | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 16112 | 12 | None | -9 | 6 | Dog | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 24949720 | 196301 | 0 | None | -66 | 3 | Dog | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL514102 | 196301 | 0 | None | -66 | 3 | Dog | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| 44377755 | 126732 | 0 | None | 398 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL349689 | 126732 | 0 | None | 398 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 589 | 13 | 3 | 8 | 4.0 | O=c1n(CCCC(F)(F)F)ccn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44396616 | 74286 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.2 | Cc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL189518 | 74286 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 455 | 9 | 4 | 5 | 4.2 | Cc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0101500 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0101500 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0101500 | ||
| 11003341 | 53071 | 0 | None | 10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL153558 | 53071 | 0 | None | 10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0509445 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0509445 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm0509445 | ||
| 1239 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3410 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 3465 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1256786 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| DB00983 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmc.2011.05.064 | ||
| 56678849 | 73400 | 0 | None | -31 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814275 | 73400 | 0 | None | -31 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1852744 | 73400 | 0 | None | -31 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 18 | 5 | 8 | 2.7 | O=C1NC(=O)N(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 11003341 | 53071 | 0 | None | 10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL153558 | 53071 | 0 | None | 10 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 376 | 10 | 4 | 4 | 3.5 | C[C@H](CNc1ccc(CCC(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 1239 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3410 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 3465 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1256786 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| DB00983 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.095 | ||
| 11592062 | 119234 | 0 | None | -158 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298325 | 119234 | 0 | None | -158 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1 | 10.1016/j.bmcl.2014.04.095 | ||
| 3083544 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1200811 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1363 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1951071 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL605993 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1016/j.bmc.2011.08.043 | ||
| 56675663 | 73363 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835861 | 73363 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852575 | 73363 | 0 | None | -25 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 541 | 17 | 6 | 6 | 4.6 | NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 1239 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3410 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3465 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| CHEMBL1256786 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| DB00983 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1021/jm801016j | ||
| 3083544 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1200811 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1363 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1951071 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL605993 | 33582 | 51 | None | -16 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm100326d | ||
| 1239 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3410 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 3465 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL1256786 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| DB00983 | 8458 | 55 | None | -79 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | O=CNc1cc(ccc1O)C(CNC(Cc1ccc(cc1)OC)C)O | 10.1016/j.bmcl.2014.04.069 | ||
| 146015362 | 7734 | 10 | None | -15 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 3462 | 7734 | 10 | None | -15 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 5486546 | 7734 | 10 | None | -15 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| CHEMBL1204876 | 7734 | 10 | None | -15 | 5 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm000455z | ||
| 44219641 | 185218 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466088 | 185218 | 0 | None | -3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| 10232096 | 114442 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 586 | 12 | 5 | 6 | 5.1 | O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL319041 | 114442 | 0 | None | 1 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 586 | 12 | 5 | 6 | 5.1 | O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 42625741 | 19371 | 0 | None | -316 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186940 | 19371 | 0 | None | -316 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL483202 | 19371 | 0 | None | -316 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1cccc(CCCCCOCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625588 | 187205 | 0 | None | -1584 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL475237 | 187205 | 0 | None | -1584 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 2.9 | NS(=O)(=O)Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 24937269 | 24419 | 0 | None | 2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258371 | 24419 | 0 | None | 2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10291064 | 101255 | 0 | None | 1 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251392 | 101255 | 0 | None | 1 | 2 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44402690 | 77881 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 589 | 14 | 3 | 6 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCC3CCCC3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL195400 | 77881 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 589 | 14 | 3 | 6 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCC3CCCC3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44307340 | 109372 | 0 | None | 4 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL304090 | 109372 | 0 | None | 4 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 470 | 12 | 4 | 7 | 2.6 | CCc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44306985 | 210498 | 0 | None | 38 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67672 | 210498 | 0 | None | 38 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 460 | 11 | 4 | 7 | 2.2 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 10166311 | 11134 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 555 | 11 | 5 | 8 | 2.9 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)Nc1ccccn1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL101132 | 11134 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 555 | 11 | 5 | 8 | 2.9 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)Nc1ccccn1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44285529 | 157697 | 0 | None | 7 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL39577 | 157697 | 0 | None | 7 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 534 | 14 | 3 | 7 | 5.1 | CCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10602703 | 127096 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 548 | 11 | 6 | 8 | 1.9 | CC(C)[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| CHEMBL35282 | 127096 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 548 | 11 | 6 | 8 | 1.9 | CC(C)[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| 44301831 | 107740 | 0 | None | 114 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294172 | 107740 | 0 | None | 114 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 590 | 14 | 3 | 7 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCCC3CCCC3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 69655138 | 85943 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 520 | 11 | 6 | 8 | 1.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL2113344 | 85943 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 520 | 11 | 6 | 8 | 1.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 46881796 | 12370 | 0 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1077273 | 12370 | 0 | None | 2 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 401 | 8 | 3 | 6 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12 | 10.1016/j.bmcl.2010.01.130 | ||
| 52941476 | 24457 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258484 | 24457 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44286964 | 170175 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 399 | 9 | 4 | 4 | 3.1 | C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL41948 | 170175 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 399 | 9 | 4 | 4 | 3.1 | C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 46881751 | 13997 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.4 | O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085694 | 13997 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.4 | O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 9947212 | 20380 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 364 | 9 | 3 | 5 | 1.2 | CN(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1194210 | 20380 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 364 | 9 | 3 | 5 | 1.2 | CN(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL545742 | 20380 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 364 | 9 | 3 | 5 | 1.2 | CN(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44444172 | 101099 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 670 | 15 | 4 | 7 | 6.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL250579 | 101099 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 670 | 15 | 4 | 7 | 6.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 44335589 | 116165 | 0 | None | 74 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 540 | 15 | 4 | 7 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL321957 | 116165 | 0 | None | 74 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 540 | 15 | 4 | 7 | 4.9 | CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44268367 | 27609 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13102 | 27609 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 344 | 9 | 4 | 5 | 1.9 | CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10291064 | 101255 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251392 | 101255 | 0 | None | -1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 341 | 8 | 2 | 6 | 2.9 | O[C@@H](CNCCOc1ccc(-c2cscn2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 46881840 | 15180 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.3 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1093385 | 15180 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.3 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1204416 | 15180 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 379 | 9 | 3 | 6 | 2.3 | CC(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44331444 | 11042 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL100589 | 11042 | 0 | None | -2 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 709 | 13 | 5 | 8 | 4.2 | CC(C)N(Cc1cc(F)ccc1F)C(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 44312924 | 171605 | 0 | None | 39 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL421871 | 171605 | 0 | None | 39 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 421 | 6 | 3 | 6 | 4.2 | COc1cc(-c2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC | 10.1016/s0960-894x(00)00459-5 | ||
| 76322043 | 112684 | 0 | None | -19 | 4 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| CHEMBL3128178 | 112684 | 0 | None | -19 | 4 | Rat | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| 45270697 | 201949 | 0 | None | -44 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203995 | 201949 | 0 | None | -44 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550444 | 201949 | 0 | None | -44 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45272417 | 202220 | 0 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448074 | 202220 | 0 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552368 | 202220 | 0 | None | -8 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10718924 | 117924 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 463 | 9 | 5 | 7 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32640 | 117924 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 463 | 9 | 5 | 7 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44127171 | 185297 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466705 | 185297 | 0 | None | -1 | 2 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 44444361 | 161521 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 4.7 | O[C@@H](CNCCc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL399986 | 161521 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 401 | 8 | 2 | 5 | 4.7 | O[C@@H](CNCCc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 15221055 | 211194 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL72060 | 211194 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 368 | 9 | 3 | 5 | 3.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | ||
| 15221053 | 211375 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL73220 | 211375 | 0 | None | - | 1 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| 11360474 | 99753 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 362 | 6 | 3 | 2 | 4.7 | CC(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24414 | 99753 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 362 | 6 | 3 | 2 | 4.7 | CC(Cc1c[nH]c2cc(Cl)ccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 24950564 | 181907 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 6 | 3 | 4 | 4.1 | N#Cc1ccc([C@@H](O)CN[C@H]2CCc3ccc(-c4ccc(C(=O)O)cc4)cc3C2)cc1 | 10.1021/jm800222k | ||
| CHEMBL456972 | 181907 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 412 | 6 | 3 | 4 | 4.1 | N#Cc1ccc([C@@H](O)CN[C@H]2CCc3ccc(-c4ccc(C(=O)O)cc4)cc3C2)cc1 | 10.1021/jm800222k | ||
| 45272758 | 203153 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 580 | 12 | 3 | 7 | 5.0 | COc1ccc([C@@H](O)[C@H](C)NCCc2ccc(-c3ccc(C(=O)NS(C)(=O)=O)c(OC4CCCCC4)c3)cc2)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL562596 | 203153 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 580 | 12 | 3 | 7 | 5.0 | COc1ccc([C@@H](O)[C@H](C)NCCc2ccc(-c3ccc(C(=O)NS(C)(=O)=O)c(OC4CCCCC4)c3)cc2)cc1 | 10.1016/j.bmcl.2009.06.083 | ||
| 16126657 | 143964 | 0 | None | -2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 573 | 14 | 4 | 8 | 4.2 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL374867 | 143964 | 0 | None | -2 | 2 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 573 | 14 | 4 | 8 | 4.2 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CCC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| 44574826 | 185379 | 0 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1cn(Cc2ccccc2)cn1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467301 | 185379 | 0 | None | -2 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 484 | 13 | 3 | 6 | 3.7 | O=C(Cc1cn(Cc2ccccc2)cn1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 45269866 | 202073 | 0 | None | -13 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448072 | 202073 | 0 | None | -13 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL551389 | 202073 | 0 | None | -13 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 46881750 | 13996 | 0 | None | 3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085693 | 13996 | 0 | None | 3 | 3 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 401 | 8 | 4 | 5 | 3.1 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| 12043155 | 106518 | 0 | None | 34 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL284965 | 106518 | 0 | None | 34 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 549 | 14 | 3 | 8 | 4.8 | CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 24950405 | 179923 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1cccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL452129 | 179923 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1cccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 10145482 | 10942 | 0 | None | 34 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 604 | 12 | 5 | 7 | 3.4 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100057 | 10942 | 0 | None | 34 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 604 | 12 | 5 | 7 | 3.4 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44281255 | 122272 | 0 | None | 69 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33515 | 122272 | 0 | None | 69 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3cccc(OC(F)(F)F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 10136220 | 161603 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 409 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL400392 | 161603 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 409 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44127171 | 185297 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL466705 | 185297 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44311597 | 211255 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 534 | 16 | 5 | 7 | 4.0 | CCCCCCP(=O)(O)COc1ccc(CCNC[C@H](O)COc2ccc(O)c3c2CCC(=O)N3)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL72396 | 211255 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 534 | 16 | 5 | 7 | 4.0 | CCCCCCP(=O)(O)COc1ccc(CCNC[C@H](O)COc2ccc(O)c3c2CCC(=O)N3)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 44331553 | 11207 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 395 | 8 | 3 | 4 | 3.8 | CC(C)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL101594 | 11207 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 395 | 8 | 3 | 4 | 3.8 | CC(C)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10209114 | 12253 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 540 | 17 | 5 | 7 | 4.2 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107591 | 12253 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 540 | 17 | 5 | 7 | 4.2 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 46881527 | 12364 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 375 | 8 | 3 | 4 | 3.5 | Cc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1077199 | 12364 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 375 | 8 | 3 | 4 | 3.5 | Cc1ccccc1C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10294264 | 16133 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 397 | 9 | 3 | 4 | 2.4 | CN(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL111319 | 16133 | 1 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 397 | 9 | 3 | 4 | 2.4 | CN(C)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 3038500 | 16112 | 12 | None | -2 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL111201 | 16112 | 12 | None | -2 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 3038500 | 16112 | 12 | None | -2 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL111201 | 16112 | 12 | None | -2 | 6 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44377726 | 63592 | 0 | None | 389 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 550 | 10 | 5 | 10 | 1.6 | CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL164378 | 63592 | 0 | None | 389 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 550 | 10 | 5 | 10 | 1.6 | CS(=O)(=O)Nc1cc(O[C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00063-4 | ||
| 44396673 | 103562 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4N)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL264819 | 103562 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4N)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 101136737 | 68660 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 8 | 6 | 9 | 2.1 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44386631 | 68660 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 8 | 6 | 9 | 2.1 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL177400 | 68660 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 8 | 6 | 9 | 2.1 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(C)(=O)=O)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 146015362 | 7734 | 10 | None | -15 | 5 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 3462 | 7734 | 10 | None | -15 | 5 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 5486546 | 7734 | 10 | None | -15 | 5 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| CHEMBL1204876 | 7734 | 10 | None | -15 | 5 | Rat | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 44281531 | 107298 | 0 | None | 3162 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL291246 | 107298 | 0 | None | 3162 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 601 | 13 | 3 | 9 | 5.1 | CSc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281218 | 162490 | 0 | None | 501 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL405245 | 162490 | 0 | None | 501 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 645 | 13 | 5 | 9 | 4.0 | CNC(=O)NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 127041870 | 143875 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 472 | 7 | 2 | 6 | 3.5 | CCc1nnc([C@@H]2[C@H]3CN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)C[C@H]32)o1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747455 | 143875 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 472 | 7 | 2 | 6 | 3.5 | CCc1nnc([C@@H]2[C@H]3CN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)C[C@H]32)o1 | 10.1016/j.bmcl.2015.11.030 | ||
| 24936491 | 24292 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257916 | 24292 | 0 | None | 2 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 24936763 | 24388 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258260 | 24388 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 42639133 | 19498 | 0 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187691 | 19498 | 0 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL515397 | 19498 | 0 | None | 1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 10416448 | 210172 | 0 | None | 1513 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL65461 | 210172 | 0 | None | 1513 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 622 | 12 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0101500 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm0509445 | ||
| 10217757 | 119047 | 0 | None | -10 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| CHEMBL3290998 | 119047 | 0 | None | -10 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 5.2 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.069 | ||
| 25071020 | 199964 | 0 | None | 1 | 3 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL523265 | 199964 | 0 | None | 1 | 3 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 16222940 | 193253 | 0 | None | -48 | 4 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL487682 | 193253 | 0 | None | -48 | 4 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)nc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44591507 | 186138 | 0 | None | -48 | 4 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL473702 | 186138 | 0 | None | -48 | 4 | Dog | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 433 | 10 | 4 | 5 | 4.1 | CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 24950061 | 194739 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 480 | 8 | 3 | 5 | 5.1 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL497113 | 194739 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 480 | 8 | 3 | 5 | 5.1 | CN(C)c1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 24949564 | 196300 | 0 | None | 147 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 452 | 7 | 4 | 5 | 4.6 | Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL514094 | 196300 | 0 | None | 147 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 452 | 7 | 4 | 5 | 4.6 | Nc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 44392534 | 72012 | 0 | None | -1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 443 | 11 | 4 | 6 | 3.4 | C=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182689 | 72012 | 0 | None | -1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 443 | 11 | 4 | 6 | 3.4 | C=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44298516 | 202368 | 0 | None | 275 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL55541 | 202368 | 0 | None | 275 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 467 | 8 | 1 | 5 | 6.2 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1nc(CCCC2CCCC2)cs1 | 10.1016/s0960-894x(99)00277-2 | ||
| 67972106 | 143866 | 0 | None | 1698 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 448 | 5 | 2 | 5 | 3.3 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCC2(CCOC2=O)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747244 | 143866 | 0 | None | 1698 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 448 | 5 | 2 | 5 | 3.3 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCC2(CCOC2=O)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| 44307085 | 109601 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 588 | 12 | 4 | 9 | 3.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL305476 | 109601 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 588 | 12 | 4 | 9 | 3.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 24812042 | 162202 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 343 | 9 | 3 | 4 | 2.8 | CC(C)(Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL403711 | 162202 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 343 | 9 | 3 | 4 | 2.8 | CC(C)(Oc1ccc(CCNC[C@@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 25071020 | 199964 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL523265 | 199964 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 469 | 11 | 3 | 5 | 5.5 | CC(C)Oc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44461718 | 212642 | 0 | None | 97 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 44461718 | 212642 | 0 | None | 97 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL83753 | 212642 | 0 | None | 97 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL83753 | 212642 | 0 | None | 97 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 145983266 | 172307 | 0 | None | 66 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4241176 | 172307 | 0 | None | 66 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 512 | 14 | 5 | 6 | 2.7 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24949722 | 182310 | 0 | None | 223 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL457839 | 182310 | 0 | None | 223 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(C(F)(F)F)cc2)CC3)cc1 | 10.1021/jm800222k | ||
| 44472610 | 144735 | 0 | None | 1 | 4 | Rhesus macaque | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764088 | 144735 | 0 | None | 1 | 4 | Rhesus macaque | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 145984667 | 172168 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 462 | 10 | 5 | 4 | 4.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)Nc1ccccc1F | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237902 | 172168 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 462 | 10 | 5 | 4 | 4.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1)Nc1ccccc1F | 10.1016/j.ejmech.2018.03.032 | ||
| 10437614 | 107719 | 12 | None | 30 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL294042 | 107719 | 12 | None | 30 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 24950242 | 195419 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 468 | 8 | 3 | 6 | 4.4 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL503209 | 195419 | 0 | None | 12 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 468 | 8 | 3 | 6 | 4.4 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| 3038500 | 16112 | 12 | None | -2 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL111201 | 16112 | 12 | None | -2 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10437614 | 107719 | 12 | None | 30 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL294042 | 107719 | 12 | None | 30 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 3038500 | 16112 | 12 | None | -2 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL111201 | 16112 | 12 | None | -2 | 6 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 11476004 | 180272 | 0 | None | -4 | 3 | Dog | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453047 | 180272 | 0 | None | -4 | 3 | Dog | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 433 | 10 | 3 | 4 | 5.1 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 70792359 | 112694 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| CHEMBL3128188 | 112694 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| 127042536 | 143771 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)C1CCc2ccnn21 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3745911 | 143771 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)C1CCc2ccnn21 | 10.1016/j.bmcl.2015.11.030 | ||
| 70792359 | 112694 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3128188 | 112694 | 0 | None | 1 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/acs.jmedchem.5b01372 | ||
| 44298821 | 201774 | 0 | None | 47 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54749 | 201774 | 0 | None | 47 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 453 | 11 | 1 | 5 | 6.1 | CCCCCCCCc1cnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)o1 | 10.1016/s0960-894x(99)00277-2 | ||
| 24812154 | 102811 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | CC(Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL259858 | 102811 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 329 | 9 | 3 | 4 | 2.4 | CC(Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 11810992 | 32880 | 0 | None | 1698 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL13560 | 32880 | 0 | None | 1698 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 44307144 | 210388 | 0 | None | 112 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67015 | 210388 | 0 | None | 112 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 569 | 17 | 5 | 7 | 4.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 11810992 | 32880 | 0 | None | 1698 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL13560 | 32880 | 0 | None | 1698 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 24812041 | 102900 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 343 | 9 | 3 | 4 | 2.8 | CC(C)(Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL260393 | 102900 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 343 | 9 | 3 | 4 | 2.8 | CC(C)(Oc1ccc(CCNC[C@H](O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| 44472592 | 144811 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1cnccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764950 | 144811 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1cnccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 9512 | 10408 | 42 | None | 380 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 9887812 | 10408 | 42 | None | 380 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| CHEMBL208427 | 10408 | 42 | None | 380 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| DB06190 | 10408 | 42 | None | 380 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 10.1021/jm0509445 | ||
| 44441233 | 154835 | 0 | None | 79 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL393471 | 154835 | 0 | None | 79 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 415 | 9 | 4 | 6 | 3.8 | C[C@H](CNc1cccc(-c2ocnc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 44268322 | 25744 | 0 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12876 | 25744 | 0 | None | 5 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 303 | 8 | 4 | 5 | 1.7 | Oc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 9803988 | 207125 | 1 | None | -1 | 2 | Dog | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm701324c | ||
| 9803988 | 207125 | 1 | None | -1 | 2 | Dog | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm800222k | ||
| CHEMBL59765 | 207125 | 1 | None | -1 | 2 | Dog | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm701324c | ||
| CHEMBL59765 | 207125 | 1 | None | -1 | 2 | Dog | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm800222k | ||
| 9803988 | 207125 | 1 | None | -1 | 2 | Dog | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm8000345 | ||
| CHEMBL59765 | 207125 | 1 | None | -1 | 2 | Dog | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 417 | 8 | 2 | 5 | 3.9 | CCOC(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC2 | 10.1021/jm8000345 | ||
| 44219641 | 185218 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466088 | 185218 | 0 | None | -3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 498 | 13 | 3 | 6 | 4.1 | CC(Cc1ccc(NC(=O)Cc2nccn2Cc2ccccc2)cc1)NC[C@H](O)COc1ccccc1 | 10.1016/j.bmc.2009.03.044 | ||
| 24895194 | 185925 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 512 | 12 | 4 | 6 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL472105 | 185925 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 512 | 12 | 4 | 6 | 4.1 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44309523 | 108966 | 0 | None | 30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL302803 | 108966 | 0 | None | 30 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 420 | 10 | 3 | 6 | 2.3 | CCCCOc1ccc(S(=O)(=O)N2CC(NC[C@H](O)c3ccc(O)cc3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44458134 | 91608 | 0 | None | 109 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22345 | 91608 | 0 | None | 109 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 565 | 15 | 3 | 10 | 3.1 | CCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| 44306979 | 210474 | 0 | None | 33 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67534 | 210474 | 0 | None | 33 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 476 | 11 | 4 | 7 | 2.7 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44336180 | 13241 | 0 | None | 15 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL108263 | 13241 | 0 | None | 15 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1ccc(F)cc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 10202842 | 170938 | 0 | None | 16 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 428 | 10 | 5 | 6 | 1.9 | NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL421030 | 170938 | 0 | None | 16 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 428 | 10 | 5 | 6 | 1.9 | NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44331530 | 11194 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 604 | 17 | 5 | 7 | 4.6 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(C)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL101520 | 11194 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 604 | 17 | 5 | 7 | 4.6 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(C)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10131985 | 161419 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL399440 | 161419 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1ocnc1-c1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 1028 | 7079 | 71 | None | -4 | 19 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 139148732 | 7079 | 71 | None | -4 | 19 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 479 | 7079 | 71 | None | -4 | 19 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 5816 | 7079 | 71 | None | -4 | 19 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL679 | 7079 | 71 | None | -4 | 19 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| DB00668 | 7079 | 71 | None | -4 | 19 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 44580042 | 199878 | 0 | None | 26 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 9 | 3 | 5 | 3.6 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL522641 | 199878 | 0 | None | 26 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 9 | 3 | 5 | 3.6 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| 44331443 | 11221 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101674 | 11221 | 0 | None | -1 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 689 | 14 | 7 | 9 | 2.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44331351 | 214920 | 0 | None | 16 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL98088 | 214920 | 0 | None | 16 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 610 | 13 | 6 | 8 | 2.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44298315 | 200077 | 0 | None | 3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL52407 | 200077 | 0 | None | 3 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 454 | 11 | 1 | 6 | 5.5 | CCCCCCCCc1nc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)no1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44281344 | 106620 | 0 | None | 64 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285704 | 106620 | 0 | None | 64 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 628 | 14 | 4 | 10 | 4.3 | CC(=O)Nc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 11495581 | 84097 | 0 | None | 25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL208328 | 84097 | 0 | None | 25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 425 | 9 | 4 | 5 | 4.2 | C[C@H](CNc1cccc(-c2ncccc2C(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 11546349 | 148111 | 0 | None | 25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| CHEMBL383511 | 148111 | 0 | None | 25 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 424 | 9 | 4 | 4 | 4.8 | C[C@H](CNc1cccc(-c2ccc(C(=O)O)cc2)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0509445 | ||
| 56678845 | 73180 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814269 | 73180 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851839 | 73180 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CNC(=O)N1c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1016/j.bmc.2011.05.064 | ||
| 56943517 | 119281 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298832 | 119281 | 0 | None | -15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 621 | 13 | 5 | 9 | 2.8 | CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56672269 | 73361 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835858 | 73361 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852564 | 73361 | 0 | None | -50 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 515 | 19 | 6 | 6 | 3.9 | CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 10203169 | 21011 | 0 | None | -39 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1086536 | 21011 | 0 | None | -39 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1199300 | 21011 | 0 | None | -39 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O | 10.1021/jm100326d | ||
| 44574722 | 185331 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 433 | 11 | 3 | 5 | 3.5 | Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466925 | 185331 | 0 | None | -1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 433 | 11 | 3 | 5 | 3.5 | Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.03.044 | ||
| 45273268 | 202408 | 0 | None | -194 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204004 | 202408 | 0 | None | -194 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556274 | 202408 | 0 | None | -194 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 10 | 3 | 4 | 4.0 | O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24936625 | 24256 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257798 | 24256 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 44369602 | 53616 | 0 | None | -6 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1cccc(CC(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL154036 | 53616 | 0 | None | -6 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 362 | 9 | 4 | 4 | 3.1 | C[C@H](CNc1cccc(CC(=O)O)c1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 56658244 | 73182 | 0 | None | -125 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814272 | 73182 | 0 | None | -125 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851849 | 73182 | 0 | None | -125 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 513 | 17 | 5 | 7 | 3.2 | O=C1CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 42625517 | 19493 | 0 | None | -630 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187654 | 19493 | 0 | None | -630 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL514032 | 19493 | 0 | None | -630 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 536 | 19 | 5 | 7 | 3.8 | CC(C)NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 42625898 | 192034 | 0 | None | -125 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 591 | 17 | 7 | 9 | 1.5 | NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL485847 | 192034 | 0 | None | -125 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 591 | 17 | 7 | 9 | 1.5 | NS(=O)(=O)O.NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 46832507 | 20986 | 0 | None | -199 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1085638 | 20986 | 0 | None | -199 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198915 | 20986 | 0 | None | -199 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 475 | 17 | 6 | 7 | 2.8 | NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 44331791 | 114768 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 11 | 3 | 4 | 4.6 | CCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL319406 | 114768 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 423 | 11 | 3 | 4 | 4.6 | CCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44280860 | 106690 | 0 | None | 204 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL286139 | 106690 | 0 | None | 204 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 521 | 13 | 3 | 8 | 4.1 | CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 24822970 | 164899 | 0 | None | 9 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.5 | O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL408694 | 164899 | 0 | None | 9 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 409 | 9 | 3 | 3 | 4.5 | O=C(O)Cc1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 46881982 | 12524 | 0 | None | 53 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078465 | 12524 | 0 | None | 53 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1CCc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44392569 | 73018 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 544 | 11 | 3 | 8 | 3.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL184584 | 73018 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 544 | 11 | 3 | 8 | 3.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OS(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44307379 | 210425 | 0 | None | 23 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67251 | 210425 | 0 | None | 23 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 427 | 11 | 3 | 6 | 2.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44307378 | 210579 | 0 | None | 15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL68334 | 210579 | 0 | None | 15 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 478 | 11 | 3 | 7 | 3.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1 | 10.1016/s0960-894x(98)00381-3 | ||
| 10302915 | 12120 | 0 | None | 23 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106884 | 12120 | 0 | None | 23 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 554 | 12 | 5 | 6 | 4.0 | O=C(NCc1c(F)cccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 45269025 | 202926 | 0 | None | -39 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203991 | 202926 | 0 | None | -39 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL561173 | 202926 | 0 | None | -39 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 24823782 | 104821 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 8 | 3 | 4 | 4.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| CHEMBL273097 | 104821 | 0 | None | -3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 396 | 8 | 3 | 4 | 4.0 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| 24950566 | 182312 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.5 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL457840 | 182312 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 455 | 6 | 3 | 3 | 5.5 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)c(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| 24937016 | 24529 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258706 | 24529 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 11381882 | 106078 | 0 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL282039 | 106078 | 0 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 44402823 | 77040 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 597 | 14 | 3 | 6 | 6.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCc3ccccc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL194168 | 77040 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 597 | 14 | 3 | 6 | 6.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(CCc3ccccc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44402838 | 179242 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 633 | 13 | 3 | 6 | 7.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL448158 | 179242 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 633 | 13 | 3 | 6 | 7.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301843 | 206387 | 0 | None | 27 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL59270 | 206387 | 0 | None | 27 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 584 | 13 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(CCc3ccccc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 45271492 | 202013 | 0 | None | -16 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203997 | 202013 | 0 | None | -16 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550906 | 202013 | 0 | None | -16 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 390 | 10 | 3 | 4 | 3.5 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 11381882 | 106078 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL282039 | 106078 | 0 | None | -2 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 45273276 | 202463 | 0 | None | -141 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204005 | 202463 | 0 | None | -141 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556689 | 202463 | 0 | None | -141 | 3 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 122184833 | 129315 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 446 | 9 | 4 | 6 | 2.9 | CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601306 | 129315 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 446 | 9 | 4 | 6 | 2.9 | CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 135995976 | 67001 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 514 | 8 | 6 | 9 | 0.8 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\N=C(N)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL174054 | 67001 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 514 | 8 | 6 | 9 | 0.8 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\N=C(N)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 9894801 | 127515 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL354906 | 127515 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 592 | 11 | 5 | 10 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)N(CC(=O)O)C4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 44285226 | 106624 | 0 | None | 35 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL285713 | 106624 | 0 | None | 35 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 548 | 15 | 3 | 7 | 5.5 | CCCCCCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)o1 | 10.1016/s0960-894x(00)00277-8 | ||
| 45270690 | 201900 | 0 | None | -19 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203994 | 201900 | 0 | None | -19 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550037 | 201900 | 0 | None | -19 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45267257 | 203461 | 0 | None | -41 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203987 | 203461 | 0 | None | -41 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564648 | 203461 | 0 | None | -41 | 3 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 3038500 | 16112 | 12 | None | -1258 | 6 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 16112 | 12 | None | -1258 | 6 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 44281276 | 106594 | 0 | None | 28 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL285481 | 106594 | 0 | None | 28 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 549 | 15 | 3 | 8 | 4.9 | CCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 52943932 | 24528 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258705 | 24528 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 46881983 | 12539 | 0 | None | 48 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 477 | 9 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078575 | 12539 | 0 | None | 48 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 477 | 9 | 4 | 5 | 4.7 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2[nH]1 | 10.1016/j.bmcl.2010.01.130 | ||
| 12017003 | 148708 | 0 | None | 87 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38704 | 148708 | 0 | None | 87 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 12017007 | 165157 | 0 | None | 54 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL40898 | 165157 | 0 | None | 54 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 576 | 11 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(-c3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10112753 | 19808 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 9 | 3 | 5 | 2.3 | CC1CCN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1189942 | 19808 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 9 | 3 | 5 | 2.3 | CC1CCN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL539799 | 19808 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 418 | 9 | 3 | 5 | 2.3 | CC1CCN(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 10188669 | 172107 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 588 | 14 | 6 | 8 | 3.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL423491 | 172107 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 588 | 14 | 6 | 8 | 3.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 46881937 | 13536 | 0 | None | 138 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 5.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1083831 | 13536 | 0 | None | 138 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 494 | 9 | 3 | 6 | 5.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1nc2ccccc2s1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44392558 | 72029 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL182770 | 72029 | 0 | None | 2 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 10140889 | 12838 | 0 | None | 4 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 484 | 12 | 4 | 6 | 3.3 | CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL108061 | 12838 | 0 | None | 4 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 484 | 12 | 4 | 6 | 3.3 | CCN(CC)C(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 10745501 | 117326 | 0 | None | 288 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.4 | CCCCN(CC(=O)O)C(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL32521 | 117326 | 0 | None | 288 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.4 | CCCCN(CC(=O)O)C(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 44127052 | 202515 | 0 | None | 2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL557269 | 202515 | 0 | None | 2 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1ccccc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44309320 | 211419 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 527 | 12 | 4 | 8 | 2.0 | CCCCOc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL73557 | 211419 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 527 | 12 | 4 | 8 | 2.0 | CCCCOc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)C2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44313150 | 110554 | 0 | None | 3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308868 | 110554 | 0 | None | 3 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 9967732 | 100939 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249534 | 100939 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 339 | 8 | 2 | 6 | 2.7 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 24949887 | 194932 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL498519 | 194932 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| 44377957 | 64275 | 0 | None | 141 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL166013 | 64275 | 0 | None | 141 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 537 | 13 | 3 | 6 | 3.8 | CCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 46882031 | 12567 | 0 | None | 10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078749 | 12567 | 0 | None | 10 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 465 | 11 | 3 | 4 | 5.0 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCc2ccccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46845697 | 14520 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 410 | 9 | 3 | 6 | 3.2 | Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(C)s1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089053 | 14520 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 410 | 9 | 3 | 6 | 3.2 | Cc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(C)s1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10119515 | 115166 | 0 | None | 7 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL319840 | 115166 | 0 | None | 7 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccccc1F)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 12017002 | 148477 | 0 | None | 173 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL38562 | 148477 | 0 | None | 173 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 558 | 11 | 3 | 7 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccc(F)cc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 45271518 | 201863 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203999 | 201863 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549689 | 201863 | 0 | None | -25 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 479 | 11 | 4 | 6 | 3.9 | COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 46881869 | 14870 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 393 | 9 | 3 | 6 | 2.5 | CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1091478 | 14870 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 393 | 9 | 3 | 6 | 2.5 | CC(C)(C(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)n1cccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44335498 | 114320 | 0 | None | 26 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL318802 | 114320 | 0 | None | 26 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 9 | 3 | 5 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00571-x | ||
| 11189002 | 100840 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 6 | 3 | 2 | 4.8 | CC(Cc1c[nH]c2cc(Br)ccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24899 | 100840 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 406 | 6 | 3 | 2 | 4.8 | CC(Cc1c[nH]c2cc(Br)ccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 10200545 | 20640 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 9 | 3 | 5 | 1.9 | CN(C)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1196004 | 20640 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 9 | 3 | 5 | 1.9 | CN(C)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL555764 | 20640 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 392 | 9 | 3 | 5 | 1.9 | CN(C)S(=O)(=O)Nc1ccc(CC(C)(C)NC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 24950560 | 179523 | 0 | None | 16 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL450842 | 179523 | 0 | None | 16 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 421 | 6 | 3 | 3 | 4.9 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccccc2Cl)CC3)cc1 | 10.1021/jm800222k | ||
| 44392212 | 175148 | 0 | None | -12 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204383 | 175148 | 0 | None | -12 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL434524 | 175148 | 0 | None | -12 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 405 | 10 | 4 | 4 | 3.9 | O=C(Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44377485 | 126785 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 612 | 11 | 5 | 10 | 3.0 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL350131 | 126785 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 612 | 11 | 5 | 10 | 3.0 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 10230721 | 119177 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 543 | 9 | 3 | 5 | 4.9 | O=S(=O)(c1ccc2ccccc2c1)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL329729 | 119177 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 543 | 9 | 3 | 5 | 4.9 | O=S(=O)(c1ccc2ccccc2c1)N1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 46889854 | 14080 | 0 | None | -12 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1086077 | 14080 | 0 | None | -12 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | ||
| 44268349 | 27348 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13079 | 27348 | 0 | None | -1 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 456 | 12 | 4 | 6 | 2.9 | O=S(=O)(Cc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44281277 | 106954 | 0 | None | 36 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL288083 | 106954 | 0 | None | 36 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 563 | 16 | 3 | 8 | 5.3 | CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 127037832 | 144830 | 0 | None | -16 | 4 | Dog | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | -16 | 4 | Dog | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 24824226 | 104218 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 3 | 4 | 4.3 | O=C(O)COc1ccc(Cc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL270027 | 104218 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 439 | 11 | 3 | 4 | 4.3 | O=C(O)COc1ccc(Cc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 24824352 | 165941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| CHEMBL409828 | 165941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| 24824352 | 165941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL409828 | 165941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 24824352 | 165941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm800222k | ||
| CHEMBL409828 | 165941 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1cccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm800222k | ||
| 9842600 | 194895 | 0 | None | 38 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 375 | 7 | 3 | 4 | 3.0 | O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
| CHEMBL498305 | 194895 | 0 | None | 38 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 375 | 7 | 3 | 4 | 3.0 | O=C(O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
| 12017001 | 153823 | 0 | None | 77 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL39269 | 153823 | 0 | None | 77 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 540 | 11 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10648298 | 106495 | 0 | None | 120 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL284788 | 106495 | 0 | None | 120 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 477 | 10 | 5 | 7 | 2.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 11718543 | 172611 | 0 | None | 125 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
| CHEMBL424866 | 172611 | 0 | None | 125 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cccc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)n1 | 10.1021/jm0509445 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.05.064 | ||
| 56675511 | 73183 | 0 | None | -31 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814273 | 73183 | 0 | None | -31 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851850 | 73183 | 0 | None | -31 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CNC(=O)N1Cc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 9892481 | 77008 | 14 | None | -794 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL1940832 | 77008 | 14 | None | -794 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 435 | 12 | 6 | 6 | 3.0 | O=CNc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccccc3)cc2)ccc1O | 10.1016/j.bmcl.2014.04.095 | ||
| 56943515 | 119221 | 0 | None | -44 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298213 | 119221 | 0 | None | -44 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 13 | 6 | 7 | 3.7 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 66796015 | 119237 | 0 | None | -177 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298328 | 119237 | 0 | None | -177 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 474 | 11 | 6 | 7 | 3.2 | NCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943518 | 119238 | 0 | None | -125 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298329 | 119238 | 0 | None | -125 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 488 | 12 | 6 | 7 | 3.6 | NCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943545 | 119239 | 0 | None | -141 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298330 | 119239 | 0 | None | -141 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 502 | 13 | 6 | 7 | 4.0 | NCCCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 56943546 | 119255 | 0 | None | -125 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298691 | 119255 | 0 | None | -125 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 518 | 14 | 6 | 8 | 3.2 | NCCOCCOc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 11180293 | 119285 | 0 | None | -89 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298897 | 119285 | 0 | None | -89 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 543 | 12 | 6 | 8 | 3.1 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCNCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2011.08.043 | ||
| 10288976 | 73354 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835862 | 73354 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852543 | 73354 | 0 | None | -251 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 487 | 17 | 6 | 6 | 3.9 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm801016j | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm100326d | ||
| 46832505 | 21007 | 1 | None | -15 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1085395 | 21007 | 1 | None | -15 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1199261 | 21007 | 1 | None | -15 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 417 | 16 | 4 | 6 | 3.3 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccccc2)ccc1O | 10.1021/jm100326d | ||
| 44574721 | 185330 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 419 | 11 | 3 | 5 | 3.1 | Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466924 | 185330 | 0 | None | -1 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 419 | 11 | 3 | 5 | 3.1 | Cc1cccnc1CC(=O)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 56658246 | 71271 | 0 | None | -1995 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814277 | 71271 | 0 | None | -1995 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814278 | 71271 | 0 | None | -1995 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1cc[nH]c(=O)n1-c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.05.064 | ||
| 46832804 | 13758 | 0 | None | -199 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| CHEMBL1084655 | 13758 | 0 | None | -199 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 496 | 17 | 5 | 8 | 1.9 | NS(=O)(=O)c1ccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm100326d | ||
| 10183066 | 20039 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1191579 | 20039 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL542696 | 20039 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 460 | 9 | 3 | 5 | 3.4 | C[C@H]1C[C@@H](C)CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C1 | 10.1016/s0960-894x(04)00462-7 | ||
| 24823462 | 104486 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 461 | 10 | 3 | 5 | 4.5 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCOCC1 | 10.1021/jm701324c | ||
| CHEMBL271401 | 104486 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 461 | 10 | 3 | 5 | 4.5 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)cc1OC1CCOCC1 | 10.1021/jm701324c | ||
| 44313090 | 109947 | 0 | None | 75 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL308126 | 109947 | 0 | None | 75 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 568 | 12 | 6 | 7 | 4.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 12017011 | 107141 | 0 | None | 158 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL289689 | 107141 | 0 | None | 158 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 590 | 12 | 3 | 7 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10651147 | 117460 | 0 | None | 380 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32599 | 117460 | 0 | None | 380 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 596 | 12 | 6 | 8 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 10393774 | 127521 | 0 | None | 501 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | ||
| CHEMBL35500 | 127521 | 0 | None | 501 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 598 | 14 | 5 | 9 | 2.1 | CCCCN(c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)S(=O)(=O)CC(=O)O | 10.1021/jm000544b | ||
| 44281396 | 106735 | 0 | None | 123 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286435 | 106735 | 0 | None | 123 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281400 | 117136 | 0 | None | 363 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL32411 | 117136 | 0 | None | 363 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 607 | 13 | 3 | 9 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 51346867 | 65433 | 0 | None | 537 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684583 | 65433 | 0 | None | 537 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 24949572 | 183805 | 0 | None | 34 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL463182 | 183805 | 0 | None | 34 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)c1 | 10.1021/jm800222k | ||
| 12049922 | 109518 | 0 | None | 208 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL304991 | 109518 | 0 | None | 208 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 638 | 13 | 3 | 9 | 4.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 15523861 | 64299 | 0 | None | 478 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL166188 | 64299 | 0 | None | 478 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 599 | 14 | 3 | 6 | 4.6 | O=C1N(CCCc2ccccc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44268308 | 24881 | 0 | None | 33 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12686 | 24881 | 0 | None | 33 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 472 | 12 | 4 | 7 | 2.8 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44472613 | 144783 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 7 | 3 | 5 | 2.9 | O=C(Cn1ccccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764592 | 144783 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 417 | 7 | 3 | 5 | 2.9 | O=C(Cn1ccccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 24823134 | 104176 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 449 | 13 | 3 | 5 | 4.3 | CCOCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL269816 | 104176 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 449 | 13 | 3 | 5 | 4.3 | CCOCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 44396521 | 130458 | 0 | None | 6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 514 | 12 | 5 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| CHEMBL362136 | 130458 | 0 | None | 6 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 514 | 12 | 5 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OCCN)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | ||
| 12017012 | 106598 | 0 | None | 72 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL285520 | 106598 | 0 | None | 72 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 622 | 12 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(C(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 10722793 | 120124 | 0 | None | 114 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL331744 | 120124 | 0 | None | 114 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | ||
| 44377637 | 62305 | 0 | None | 457 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL162043 | 62305 | 0 | None | 457 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 633 | 14 | 3 | 6 | 5.3 | O=C1N(CCCc2ccc(Cl)cc2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 24949889 | 194934 | 0 | None | 35 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)c1 | 10.1021/jm800222k | ||
| CHEMBL498531 | 194934 | 0 | None | 35 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.4 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CCC3)c1 | 10.1021/jm800222k | ||
| 145984042 | 172454 | 0 | None | 1348 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4244929 | 172454 | 0 | None | 1348 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 475 | 13 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Cc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24823624 | 165940 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL409827 | 165940 | 0 | None | -1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1ccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 44580040 | 193899 | 0 | None | -2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL491645 | 193899 | 0 | None | -2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 510 | 10 | 4 | 5 | 5.7 | CC(C)(C)C(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44268497 | 25718 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL12864 | 25718 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/s0960-894x(98)00170-x | ||
| 145982519 | 172212 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 474 | 11 | 5 | 5 | 4.4 | COc1cccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4238856 | 172212 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 474 | 11 | 5 | 5 | 4.4 | COc1cccc(NC(=O)Nc2ccc(CCNC[C@H](O)COc3cccc4[nH]ccc34)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 145983711 | 172162 | 0 | None | 2089 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4237802 | 172162 | 0 | None | 2089 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 12 | 5 | 5 | 3.5 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)Nc3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24949570 | 181837 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL456795 | 181837 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| 52943362 | 24320 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258025 | 24320 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 70792359 | 112694 | 0 | None | -1 | 4 | Rhesus macaque | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| CHEMBL3128188 | 112694 | 0 | None | -1 | 4 | Rhesus macaque | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| 44268324 | 23556 | 0 | None | 58 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12450 | 23556 | 0 | None | 58 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44472610 | 144735 | 0 | None | -1 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764088 | 144735 | 0 | None | -1 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 10048077 | 104670 | 17 | None | 52 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| CHEMBL272383 | 104670 | 17 | None | 52 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm701324c | ||
| 24950238 | 181733 | 0 | None | 69 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL456578 | 181733 | 0 | None | 69 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)cc2)CC3)c1 | 10.1021/jm800222k | ||
| 10048077 | 104670 | 17 | None | 52 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL272383 | 104670 | 17 | None | 52 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 10048077 | 104670 | 17 | None | 52 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| CHEMBL272383 | 104670 | 17 | None | 52 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 425 | 9 | 3 | 4 | 4.6 | COc1cc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)ccc1C(=O)O | 10.1021/jm9000709 | ||
| 42639133 | 19498 | 0 | None | -1 | 2 | Dog | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL1187691 | 19498 | 0 | None | -1 | 2 | Dog | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL515397 | 19498 | 0 | None | -1 | 2 | Dog | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 496 | 11 | 3 | 6 | 3.7 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 24812040 | 102899 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 343 | 9 | 3 | 4 | 2.8 | CC(C)(Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL260392 | 102899 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 343 | 9 | 3 | 4 | 2.8 | CC(C)(Oc1ccc(CCNCC(O)c2ccccc2)cc1)C(=O)O | 10.1016/j.bmc.2007.11.060 | ||
| 24822643 | 164433 | 0 | None | 4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 | 10.1021/jm701324c | ||
| CHEMBL408145 | 164433 | 0 | None | 4 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c(F)c1 | 10.1021/jm701324c | ||
| 44461705 | 212634 | 0 | None | 75 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL83698 | 212634 | 0 | None | 75 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44392255 | 172740 | 0 | None | 5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 401 | 11 | 5 | 5 | 2.1 | CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL425173 | 172740 | 0 | None | 5 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 401 | 11 | 5 | 5 | 2.1 | CC(C)NC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44302005 | 107337 | 0 | None | 6165 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291516 | 107337 | 0 | None | 6165 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 595 | 11 | 4 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 10180440 | 129297 | 0 | None | 6 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 420 | 10 | 4 | 7 | 1.6 | COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601201 | 129297 | 0 | None | 6 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 420 | 10 | 4 | 7 | 1.6 | COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 10139127 | 64263 | 0 | None | 50 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 9 | 3 | 7 | 2.6 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL165893 | 64263 | 0 | None | 50 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 455 | 9 | 3 | 7 | 2.6 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 44402729 | 140389 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 570 | 12 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cccnc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL371334 | 140389 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 570 | 12 | 3 | 7 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cccnc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301805 | 107793 | 0 | None | 75 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294492 | 107793 | 0 | None | 75 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 557 | 11 | 3 | 8 | 4.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 45273281 | 202517 | 0 | None | -12 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448075 | 202517 | 0 | None | -12 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557295 | 202517 | 0 | None | -12 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44311779 | 109651 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 410 | 11 | 4 | 7 | 1.3 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL305808 | 109651 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 410 | 11 | 4 | 7 | 1.3 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 101136735 | 138234 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 538 | 8 | 5 | 8 | 2.4 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44386136 | 138234 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 538 | 8 | 5 | 8 | 2.4 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 88054179 | 138234 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 538 | 8 | 5 | 8 | 2.4 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL369155 | 138234 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 538 | 8 | 5 | 8 | 2.4 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccc(O)cc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44306992 | 210540 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67993 | 210540 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 442 | 11 | 4 | 7 | 2.0 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44268281 | 23650 | 0 | None | -15 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12498 | 23650 | 0 | None | -15 | 3 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 436 | 14 | 4 | 6 | 2.9 | CCCCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10182229 | 20131 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 9 | 3 | 6 | 1.6 | CN1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1192404 | 20131 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 9 | 3 | 6 | 1.6 | CN1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL543633 | 20131 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 9 | 3 | 6 | 1.6 | CN1CCN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)CC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 52947443 | 24386 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258258 | 24386 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10280301 | 116514 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL322973 | 116514 | 0 | None | 2 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 536 | 12 | 5 | 6 | 3.9 | O=C(NCc1ccc(F)cc1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 45269853 | 203347 | 0 | None | 4 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL563872 | 203347 | 0 | None | 4 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 9924779 | 101215 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL251180 | 101215 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 355 | 9 | 3 | 7 | 1.9 | OCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 46881938 | 13537 | 0 | None | 72 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1083832 | 13537 | 0 | None | 72 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 443 | 9 | 3 | 4 | 5.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1C1CCCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| 14823035 | 148341 | 2 | None | -26 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL38486 | 148341 | 2 | None | -26 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| 122184772 | 129299 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 424 | 9 | 4 | 6 | 2.3 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(Cl)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601203 | 129299 | 0 | None | 1 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 424 | 9 | 4 | 6 | 2.3 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(Cl)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 10121328 | 11210 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101606 | 11210 | 0 | None | -4 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 593 | 11 | 5 | 10 | 1.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(C(=O)O)cn4)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44307196 | 210366 | 0 | None | 8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL66859 | 210366 | 0 | None | 8 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 510 | 11 | 4 | 7 | 3.3 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44306991 | 210461 | 0 | None | 30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67461 | 210461 | 0 | None | 30 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 493 | 11 | 4 | 8 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3cnc4ccccc4c3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 70792359 | 112694 | 0 | None | -117 | 4 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| CHEMBL3128188 | 112694 | 0 | None | -117 | 4 | Rat | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 417 | 6 | 3 | 6 | 2.8 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2ccnn21 | 10.1021/jm4017224 | ||
| 76322046 | 112701 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128195 | 112701 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 448 | 6 | 4 | 6 | 3.8 | Nc1nc2c(s1)CC[C@@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/jm4017224 | ||
| 44268254 | 26785 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13034 | 26785 | 0 | None | 1 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 302 | 8 | 4 | 5 | 1.5 | Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 45270680 | 201817 | 0 | None | -5 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203993 | 201817 | 0 | None | -5 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549421 | 201817 | 0 | None | -5 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44444365 | 101033 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 393 | 7 | 2 | 5 | 4.1 | O[C@@H](CNCCc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250184 | 101033 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 393 | 7 | 2 | 5 | 4.1 | O[C@@H](CNCCc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 44402734 | 141969 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 585 | 12 | 4 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL372056 | 141969 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 585 | 12 | 4 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44402735 | 175252 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 626 | 13 | 4 | 7 | 6.0 | CC(=O)Nc1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL435134 | 175252 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 626 | 13 | 4 | 7 | 6.0 | CC(=O)Nc1ccc(-c2csc(Cc3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5ccccc5)cc4)cc3)n2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 10304565 | 114154 | 0 | None | 11 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 622 | 12 | 5 | 7 | 3.6 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL317809 | 114154 | 0 | None | 11 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 622 | 12 | 5 | 7 | 3.6 | O=C(NCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c(F)c3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44301867 | 107352 | 0 | None | 21 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291594 | 107352 | 0 | None | 21 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 613 | 12 | 4 | 8 | 5.5 | CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44301818 | 209529 | 0 | None | 24 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL61962 | 209529 | 0 | None | 24 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 572 | 11 | 4 | 8 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| 45270690 | 201900 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203994 | 201900 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550037 | 201900 | 0 | None | -19 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45268136 | 203164 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203989 | 203164 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562669 | 203164 | 0 | None | -7 | 3 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(98)00571-x | ||
| 46881753 | 14037 | 0 | None | 23 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 10 | 3 | 6 | 3.4 | Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085929 | 14037 | 0 | None | 23 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 443 | 10 | 3 | 6 | 3.4 | Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2010.01.130 | ||
| 10787873 | 106649 | 0 | None | 3 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL285888 | 106649 | 0 | None | 3 | 2 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1ccc(NCC(=O)O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 24950242 | 195419 | 0 | None | -12 | 2 | Dog | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 468 | 8 | 3 | 6 | 4.4 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL503209 | 195419 | 0 | None | -12 | 2 | Dog | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 468 | 8 | 3 | 6 | 4.4 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2ccc(Cl)nc2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| 45271517 | 201830 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203998 | 201830 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549487 | 201830 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 499 | 10 | 4 | 4 | 4.8 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45268128 | 203101 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203988 | 203101 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL562315 | 203101 | 0 | None | -26 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 427 | 10 | 4 | 4 | 3.9 | O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10182494 | 16134 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 451 | 10 | 4 | 4 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL111320 | 16134 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 451 | 10 | 4 | 4 | 3.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 10301056 | 20214 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 508 | 10 | 3 | 5 | 4.3 | CC(C)(Cc1ccc(NS(=O)(=O)N2CCC(c3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1193003 | 20214 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 508 | 10 | 3 | 5 | 4.3 | CC(C)(Cc1ccc(NS(=O)(=O)N2CCC(c3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL544336 | 20214 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 508 | 10 | 3 | 5 | 4.3 | CC(C)(Cc1ccc(NS(=O)(=O)N2CCC(c3ccccc3)CC2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44472610 | 144735 | 0 | None | -13 | 4 | Dog | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764088 | 144735 | 0 | None | -13 | 4 | Dog | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 10155942 | 101091 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 369 | 10 | 2 | 7 | 2.6 | COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250559 | 101091 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 369 | 10 | 2 | 7 | 2.6 | COCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 46882028 | 12530 | 0 | None | 100 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078495 | 12530 | 0 | None | 100 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 467 | 11 | 3 | 5 | 4.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1COc1ccccc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44298752 | 203637 | 0 | None | 138 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56594 | 203637 | 0 | None | 138 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 8 | 1 | 3 | 4.5 | CCCCCCN(C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 10275157 | 12149 | 0 | None | 7 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 442 | 10 | 5 | 6 | 2.2 | CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107012 | 12149 | 0 | None | 7 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 442 | 10 | 5 | 6 | 2.2 | CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 45272431 | 201888 | 0 | None | -51 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204002 | 201888 | 0 | None | -51 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549960 | 201888 | 0 | None | -51 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273280 | 202498 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204006 | 202498 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557095 | 202498 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44127782 | 203454 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL564556 | 203454 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 470 | 11 | 4 | 5 | 4.3 | O=C(Cc1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44311778 | 211302 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 347 | 10 | 4 | 6 | 1.5 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(CO)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL72706 | 211302 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 347 | 10 | 4 | 6 | 1.5 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(CO)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 24824079 | 19665 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL1188934 | 19665 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL537693 | 19665 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | O=C(O)COc1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 46881573 | 15045 | 0 | None | 316 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1092502 | 15045 | 0 | None | 316 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 415 | 9 | 3 | 6 | 2.9 | O=C(Cn1ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44396632 | 74123 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 519 | 10 | 4 | 6 | 2.7 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)CC(F)(F)F)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL188559 | 74123 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 519 | 10 | 4 | 6 | 2.7 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)CC(F)(F)F)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 10304786 | 114770 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 635 | 15 | 5 | 6 | 5.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL319409 | 114770 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 635 | 15 | 5 | 6 | 5.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 12049923 | 210450 | 0 | None | 181 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL67404 | 210450 | 0 | None | 181 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 608 | 12 | 3 | 8 | 4.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3c(F)cc(F)cc3F)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44589400 | 201359 | 0 | None | 2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
| CHEMBL530556 | 201359 | 0 | None | 2 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | ||
| 9907863 | 122131 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL3349532 | 122131 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 44335651 | 115336 | 0 | None | 204 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL320228 | 115336 | 0 | None | 204 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 431 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 1028 | 7079 | 71 | None | -4 | 19 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 139148732 | 7079 | 71 | None | -4 | 19 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 479 | 7079 | 71 | None | -4 | 19 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 5816 | 7079 | 71 | None | -4 | 19 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL679 | 7079 | 71 | None | -4 | 19 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| DB00668 | 7079 | 71 | None | -4 | 19 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 24949414 | 194948 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccnc1Oc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
| CHEMBL498704 | 194948 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 438 | 7 | 3 | 5 | 4.4 | O=C(O)c1cccnc1Oc1ccc2c(c1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CC2 | 10.1021/jm800222k | ||
| 9873245 | 11288 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL102194 | 11288 | 0 | None | -12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 590 | 17 | 5 | 7 | 4.3 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44444370 | 100880 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 507 | 10 | 3 | 6 | 5.0 | Cc1ccc([C@@H](O)CNCCc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249167 | 100880 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 507 | 10 | 3 | 6 | 5.0 | Cc1ccc([C@@H](O)CNCCc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1NS(C)(=O)=O | 10.1016/j.bmcl.2007.06.072 | ||
| 45269025 | 202926 | 0 | None | -39 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203991 | 202926 | 0 | None | -39 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL561173 | 202926 | 0 | None | -39 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 500 | 11 | 5 | 6 | 2.7 | NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45270391 | 202233 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 459 | 11 | 4 | 6 | 3.8 | O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL552434 | 202233 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 459 | 11 | 4 | 6 | 3.8 | O=C(CC1C=Nc2ccccc21)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 9907863 | 122131 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL3349532 | 122131 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 46881839 | 13384 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 517 | 11 | 3 | 6 | 5.1 | O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1083216 | 13384 | 0 | None | 7 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 517 | 11 | 3 | 6 | 5.1 | O=C(Cn1nc(-c2ccccc2)cc1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 76322043 | 112684 | 0 | None | -3 | 4 | Dog | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| CHEMBL3128178 | 112684 | 0 | None | -3 | 4 | Dog | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 434 | 6 | 3 | 6 | 3.6 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2scnc21 | 10.1021/jm4017224 | ||
| 9849699 | 80039 | 16 | None | -2 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012520 | 80039 | 16 | None | -2 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012521 | 80039 | 16 | None | -2 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| CHEMBL2012522 | 80039 | 16 | None | -2 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 524 | 11 | 4 | 6 | 5.0 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 | 10.1021/ml200071k | ||
| 44268482 | 104875 | 0 | None | 199 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL273428 | 104875 | 0 | None | 199 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 499 | 12 | 5 | 7 | 2.7 | CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44309272 | 210657 | 0 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL68766 | 210657 | 0 | None | 2 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 611 | 14 | 6 | 8 | 2.9 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44331302 | 215107 | 0 | None | 6 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99219 | 215107 | 0 | None | 6 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 667 | 12 | 6 | 8 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(NC(=O)NCc4cc(F)ccc4F)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44402839 | 77908 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 609 | 12 | 3 | 7 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL195508 | 77908 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 609 | 12 | 3 | 7 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44307396 | 210529 | 0 | None | 30 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL67886 | 210529 | 0 | None | 30 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 582 | 12 | 3 | 6 | 3.7 | COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 10305108 | 118220 | 0 | None | 77 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL327519 | 118220 | 0 | None | 77 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 659 | 17 | 6 | 8 | 4.2 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44298822 | 201775 | 0 | None | 794 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54750 | 201775 | 0 | None | 794 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 460 | 8 | 1 | 3 | 6.7 | O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44336319 | 13135 | 0 | None | 524 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 617 | 12 | 6 | 7 | 3.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL108214 | 13135 | 0 | None | 524 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 617 | 12 | 6 | 7 | 3.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNCCc2ccc(NC3CCN(C(=O)NCc4cc(F)ccc4F)CC3)cc2)ccc1O | 10.1016/s0960-894x(01)00645-x | ||
| 11556330 | 169990 | 0 | None | 457 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL418308 | 169990 | 0 | None | 457 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44280903 | 106736 | 0 | None | 109 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286437 | 106736 | 0 | None | 109 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 605 | 12 | 3 | 8 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 10863093 | 57101 | 0 | None | 3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL157210 | 57101 | 0 | None | 3 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 439 | 10 | 4 | 6 | 2.1 | C[C@H](CNc1ccc(CC(=O)NS(C)(=O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 10225563 | 20981 | 0 | None | -12 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1084891 | 20981 | 0 | None | -12 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198889 | 20981 | 0 | None | -12 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 445 | 16 | 4 | 6 | 3.9 | Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 46832232 | 20987 | 0 | None | -39 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1085837 | 20987 | 0 | None | -39 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198923 | 20987 | 0 | None | -39 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 16 | 4 | 6 | 4.5 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc3ccccc23)ccc1O | 10.1021/jm100326d | ||
| 44298515 | 202627 | 0 | None | 120 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL55852 | 202627 | 0 | None | 120 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 436 | 9 | 1 | 5 | 5.1 | CCCCCCc1ccnc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 24894127 | 101250 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 518 | 11 | 4 | 7 | 3.6 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(C)(C)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL251372 | 101250 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 518 | 11 | 4 | 7 | 3.6 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(C)(C)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 44419315 | 148293 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 519 | 12 | 4 | 8 | 3.0 | CCn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL384560 | 148293 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 519 | 12 | 4 | 8 | 3.0 | CCn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| 44419324 | 175182 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 533 | 13 | 4 | 8 | 3.4 | CCCn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL434763 | 175182 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 533 | 13 | 4 | 8 | 3.4 | CCCn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| 44268568 | 31707 | 0 | None | 57 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13459 | 31707 | 0 | None | 57 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 570 | 16 | 6 | 7 | 4.1 | CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 12017010 | 169980 | 0 | None | 630 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL418234 | 169980 | 0 | None | 630 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 572 | 12 | 3 | 7 | 5.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2coc(Cc3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 24950059 | 181649 | 0 | None | 169 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| CHEMBL456352 | 181649 | 0 | None | 169 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1cc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc(C(=O)O)c1 | 10.1021/jm800222k | ||
| 12017016 | 106942 | 0 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL287947 | 106942 | 0 | None | 60 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 574 | 14 | 3 | 7 | 5.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(CCCC3CCCC3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 9927453 | 103462 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL26393 | 103462 | 0 | None | 1 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 44268341 | 29529 | 0 | None | 117 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13278 | 29529 | 0 | None | 117 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 492 | 11 | 4 | 6 | 3.9 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 127042181 | 143769 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 2.1 | Cn1nnc([C@@H]2[C@H]3CN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)C[C@H]32)n1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3745890 | 143769 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 458 | 6 | 2 | 7 | 2.1 | Cn1nnc([C@@H]2[C@H]3CN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)C[C@H]32)n1 | 10.1016/j.bmcl.2015.11.030 | ||
| 44419316 | 91033 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 559 | 14 | 4 | 8 | 3.8 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL221188 | 91033 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 559 | 14 | 4 | 8 | 3.8 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| 44377514 | 63288 | 0 | None | 134 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL163579 | 63288 | 0 | None | 134 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 592 | 17 | 3 | 9 | 4.5 | CCCCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 1960 | 9632 | 67 | None | -1 | 19 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 439260 | 9632 | 67 | None | -1 | 19 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 505 | 9632 | 67 | None | -1 | 19 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL1437 | 9632 | 67 | None | -1 | 19 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| DB00368 | 9632 | 67 | None | -1 | 19 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 24823626 | 104822 | 0 | None | 6 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| CHEMBL273098 | 104822 | 0 | None | 6 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 410 | 9 | 4 | 4 | 4.6 | O=C(O)c1cccc(Nc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| 42640122 | 202954 | 0 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL492401 | 202954 | 0 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL561335 | 202954 | 0 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 42640122 | 202954 | 0 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL492401 | 202954 | 0 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| CHEMBL561335 | 202954 | 0 | None | 2 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3ccc(N)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm9000709 | ||
| 44298769 | 203886 | 0 | None | 79 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56767 | 203886 | 0 | None | 79 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 457 | 12 | 1 | 5 | 6.6 | CCCCCCCCc1csc(N(C)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 10835216 | 117433 | 0 | None | 251 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 406 | 9 | 5 | 5 | 3.6 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32586 | 117433 | 0 | None | 251 | 2 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 406 | 9 | 5 | 5 | 3.6 | C[C@H](NCCc1ccc(NC(C)(C)C(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 24950053 | 194766 | 0 | None | 117 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 7 | 3 | 5 | 5.1 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
| CHEMBL497280 | 194766 | 0 | None | 117 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 443 | 7 | 3 | 5 | 5.1 | O=C(O)c1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)s1 | 10.1021/jm800222k | ||
| 10054165 | 91551 | 1 | None | 131 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL22317 | 91551 | 1 | None | 131 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 10054165 | 91551 | 1 | None | 131 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22317 | 91551 | 1 | None | 131 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC2CCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.bmc.2007.11.060 | ||
| 24950403 | 194791 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 451 | 8 | 3 | 4 | 4.7 | O=C(O)COc1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| CHEMBL497453 | 194791 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 451 | 8 | 3 | 4 | 4.7 | O=C(O)COc1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1 | 10.1021/jm800222k | ||
| 44377316 | 126840 | 0 | None | 173 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL350590 | 126840 | 0 | None | 173 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 13 | 3 | 6 | 5.0 | O=C1N(CCC2CCCCC2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44402692 | 140363 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 625 | 12 | 3 | 7 | 7.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL371219 | 140363 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 625 | 12 | 3 | 7 | 7.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301881 | 107311 | 0 | None | 16218 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291306 | 107311 | 0 | None | 16218 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 612 | 11 | 3 | 8 | 6.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4s3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 9912580 | 24857 | 0 | None | 18 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12674 | 24857 | 0 | None | 18 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 470 | 13 | 4 | 6 | 2.9 | O=S(=O)(CCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.11.060 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/j.bmc.2007.11.060 | ||
| 44472610 | 144735 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764088 | 144735 | 0 | None | -1 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 15523860 | 126949 | 0 | None | 851 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL351596 | 126949 | 0 | None | 851 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 593 | 15 | 3 | 6 | 5.2 | CCCCC(C)(C)CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 44402822 | 142815 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 620 | 17 | 4 | 7 | 5.2 | CC(=O)NCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL373188 | 142815 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 620 | 17 | 4 | 7 | 5.2 | CC(=O)NCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| 10302342 | 116563 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 538 | 14 | 5 | 6 | 4.5 | O=C(NCCCC1CCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL323258 | 116563 | 0 | None | 3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 538 | 14 | 5 | 6 | 4.5 | O=C(NCCCC1CCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44301886 | 107856 | 0 | None | 316 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL294849 | 107856 | 0 | None | 316 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 607 | 16 | 4 | 8 | 4.7 | CC(=O)NCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 9893058 | 73156 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814267 | 73156 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851721 | 73156 | 0 | None | -39 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 525 | 17 | 5 | 8 | 2.9 | O=c1ccn(-c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)c(=O)[nH]1 | 10.1016/j.bmc.2011.05.064 | ||
| 56943485 | 119280 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298831 | 119280 | 0 | None | -50 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 544 | 12 | 5 | 8 | 3.6 | O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1 | 10.1016/j.bmcl.2014.04.095 | ||
| 42625823 | 19451 | 0 | None | -251 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187371 | 19451 | 0 | None | -251 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL500782 | 19451 | 0 | None | -251 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 576 | 19 | 5 | 7 | 4.7 | O=S(=O)(NC1CCCCC1)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 44127575 | 201603 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL539226 | 201603 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 42625511 | 19509 | 0 | None | -630 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| CHEMBL1187778 | 19509 | 0 | None | -630 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| CHEMBL520313 | 19509 | 0 | None | -630 | 4 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 494 | 17 | 5 | 7 | 2.8 | NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1 | 10.1021/jm801016j | ||
| 44402689 | 139942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 601 | 16 | 3 | 6 | 7.2 | CC/C=C/CC/C=C/c1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL370394 | 139942 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 601 | 16 | 3 | 6 | 7.2 | CC/C=C/CC/C=C/c1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301764 | 107408 | 0 | None | 12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291992 | 107408 | 0 | None | 12 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 564 | 15 | 3 | 7 | 6.0 | CCCCCCc1csc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44574758 | 185322 | 0 | None | 18 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 394 | 11 | 4 | 5 | 2.2 | O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466879 | 185322 | 0 | None | 18 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 394 | 11 | 4 | 5 | 2.2 | O=C(Cc1ncc[nH]1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 45267257 | 203461 | 0 | None | -41 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203987 | 203461 | 0 | None | -41 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564648 | 203461 | 0 | None | -41 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 449 | 12 | 4 | 4 | 3.8 | O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44392559 | 130092 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 557 | 11 | 3 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL361577 | 130092 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 557 | 11 | 3 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 12049914 | 210372 | 0 | None | 165 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL66908 | 210372 | 0 | None | 165 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 558 | 11 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(-c3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 10666106 | 121311 | 0 | None | 30 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 358 | 9 | 4 | 5 | 2.2 | C[C@H](NCCc1ccc(N(C)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL33360 | 121311 | 0 | None | 30 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 358 | 9 | 4 | 5 | 2.2 | C[C@H](NCCc1ccc(N(C)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 10193354 | 100938 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2ncco2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL249533 | 100938 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 325 | 8 | 2 | 6 | 2.4 | O[C@@H](CNCCOc1ccc(-c2ncco2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 49861320 | 61740 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204003 | 61740 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1615579 | 61740 | 0 | None | -20 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44127374 | 203013 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccncc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561693 | 203013 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 421 | 11 | 4 | 6 | 2.5 | O=C(Cc1ccncc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 10746499 | 121236 | 0 | None | 33 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL333417 | 121236 | 0 | None | 33 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1 | 10.1021/jm000286i | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1016/j.ejmech.2018.04.041 | ||
| 45273280 | 202498 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204006 | 202498 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557095 | 202498 | 0 | None | -16 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 435 | 11 | 4 | 4 | 3.7 | O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 127037832 | 144830 | 0 | None | -147 | 4 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3765335 | 144830 | 0 | None | -147 | 4 | Rat | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 432 | 7 | 3 | 6 | 2.8 | C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)n1ncccc1=O | 10.1021/acs.jmedchem.5b01372 | ||
| 10183401 | 16070 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 465 | 10 | 3 | 4 | 4.1 | CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL110969 | 16070 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 465 | 10 | 3 | 4 | 4.1 | CN(C1CCCCC1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44268273 | 103855 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL267306 | 103855 | 0 | None | -1 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 476 | 11 | 4 | 6 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl | 10.1016/s0960-894x(98)00169-3 | ||
| 44280858 | 106589 | 0 | None | 46 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL285458 | 106589 | 0 | None | 46 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 577 | 17 | 3 | 8 | 5.7 | CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 44574723 | 185302 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.5 | O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL466726 | 185302 | 0 | None | -1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 11 | 3 | 5 | 3.5 | O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 52941603 | 24071 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257204 | 24071 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44309649 | 211071 | 0 | None | 186 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 436 | 9 | 3 | 7 | 1.6 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL71348 | 211071 | 0 | None | 186 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 436 | 9 | 3 | 7 | 1.6 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 10211392 | 214943 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 629 | 17 | 5 | 7 | 4.1 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4c3CC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL98266 | 214943 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 629 | 17 | 5 | 7 | 4.1 | CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3cccc4c3CC(=O)N4)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44298306 | 108776 | 0 | None | 45 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL301594 | 108776 | 0 | None | 45 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 435 | 6 | 1 | 3 | 4.1 | CN(CCc1ccccc1)C(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44298761 | 201793 | 0 | None | 131 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL54885 | 201793 | 0 | None | 131 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 331 | 3 | 2 | 3 | 2.2 | CNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 145984324 | 172618 | 0 | None | 7 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4248727 | 172618 | 0 | None | 7 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 449 | 11 | 4 | 4 | 4.6 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=S)Nc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 45269866 | 202073 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448072 | 202073 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL551389 | 202073 | 0 | None | -13 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273276 | 202463 | 0 | None | -141 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204005 | 202463 | 0 | None | -141 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL556689 | 202463 | 0 | None | -141 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 429 | 10 | 4 | 5 | 3.6 | N#C/N=C(\Nc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44127056 | 202144 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551892 | 202144 | 0 | None | -1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 426 | 11 | 4 | 6 | 3.2 | O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 164451 | 109954 | 14 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL308150 | 109954 | 14 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | ||
| 44335499 | 11764 | 0 | None | 107 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104981 | 11764 | 0 | None | 107 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 439 | 10 | 3 | 5 | 3.9 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44303192 | 210064 | 0 | None | 123 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL64697 | 210064 | 0 | None | 123 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 523 | 9 | 3 | 5 | 3.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(I)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44579649 | 193746 | 0 | None | 12 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 408 | 10 | 3 | 6 | 3.4 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL490415 | 193746 | 0 | None | 12 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 408 | 10 | 3 | 6 | 3.4 | COc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 44127481 | 202931 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561211 | 202931 | 0 | None | 1 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 450 | 12 | 4 | 6 | 3.2 | COc1cccc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44311447 | 210909 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 386 | 9 | 4 | 6 | 1.9 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c3c2CCC(=O)N3)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL70399 | 210909 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 386 | 9 | 4 | 6 | 1.9 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c3c2CCC(=O)N3)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 10292413 | 101054 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250352 | 101054 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 367 | 9 | 2 | 6 | 3.6 | CC(C)c1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 9946573 | 161532 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL400049 | 161532 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 353 | 9 | 2 | 6 | 3.0 | CCc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)co1 | 10.1016/j.bmcl.2007.06.072 | ||
| 45272431 | 201888 | 0 | None | -51 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204002 | 201888 | 0 | None | -51 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549960 | 201888 | 0 | None | -51 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 547 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45270673 | 202203 | 0 | None | -58 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203992 | 202203 | 0 | None | -58 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552253 | 202203 | 0 | None | -58 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10693556 | 119121 | 0 | None | 2 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32939 | 119121 | 0 | None | 2 | 2 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 422 | 9 | 5 | 5 | 2.9 | C[C@H](NCCc1ccc(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 10915880 | 84021 | 0 | None | 10 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL2079599 | 84021 | 0 | None | 10 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 44268358 | 26198 | 0 | None | 52 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 11 | 4 | 6 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12945 | 26198 | 0 | None | 52 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 510 | 11 | 4 | 6 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(98)00169-3 | ||
| 10231394 | 174595 | 0 | None | 190 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 15 | 5 | 7 | 3.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL430662 | 174595 | 0 | None | 190 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 15 | 5 | 7 | 3.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10273469 | 101029 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL250144 | 101029 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 417 | 9 | 2 | 6 | 4.6 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 45272430 | 202223 | 0 | None | -36 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204001 | 202223 | 0 | None | -36 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552374 | 202223 | 0 | None | -36 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 439 | 10 | 4 | 4 | 4.2 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 46881797 | 14389 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 517 | 11 | 3 | 6 | 5.1 | O=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1088076 | 14389 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 517 | 11 | 3 | 6 | 5.1 | O=C(Cn1ncc(-c2ccccc2)c1-c1ccccc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10915880 | 84021 | 0 | None | 10 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL2079599 | 84021 | 0 | None | 10 | 3 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 9912443 | 194877 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL498145 | 194877 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 467 | 8 | 3 | 5 | 5.0 | COc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| 45269373 | 203115 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(N)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| CHEMBL562395 | 203115 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 511 | 11 | 4 | 7 | 3.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(N)c3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1016/j.bmcl.2009.06.083 | ||
| 24895787 | 193473 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| CHEMBL488431 | 193473 | 0 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 409 | 8 | 3 | 3 | 5.0 | C[C@@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm8000345 | ||
| 44461486 | 212142 | 0 | None | 741 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL79806 | 212142 | 0 | None | 741 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 44377771 | 172326 | 0 | None | 70 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL424167 | 172326 | 0 | None | 70 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 596 | 10 | 5 | 9 | 3.4 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4ccc(O)c(NS(=O)(=O)c5ccccc5)c4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 9828477 | 68537 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 532 | 8 | 5 | 9 | 2.4 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL177185 | 68537 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 532 | 8 | 5 | 9 | 2.4 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\SC(=O)NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 44386374 | 137478 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 605 | 8 | 4 | 9 | 3.7 | O=C1CCc2c(OC[C@@H](O)CNC3CCN(c4ccc(/C=C5\SC(N6CCCCC6)=NC5=O)cc4)CC3)ccc(O)c2N1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL368392 | 137478 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 605 | 8 | 4 | 9 | 3.7 | O=C1CCc2c(OC[C@@H](O)CNC3CCN(c4ccc(/C=C5\SC(N6CCCCC6)=NC5=O)cc4)CC3)ccc(O)c2N1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44331426 | 11195 | 0 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL101521 | 11195 | 0 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 44331346 | 215168 | 0 | None | 5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL99599 | 215168 | 0 | None | 5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 638 | 17 | 5 | 8 | 4.2 | CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1016/s0960-894x(02)00608-x | ||
| 44307205 | 210595 | 0 | None | 107 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL68408 | 210595 | 0 | None | 107 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 584 | 17 | 6 | 8 | 3.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(N)nc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 9853471 | 211633 | 0 | None | 177 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL75604 | 211633 | 0 | None | 177 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 10371216 | 106523 | 0 | None | 162 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL285001 | 106523 | 0 | None | 162 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 591 | 12 | 3 | 8 | 4.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281395 | 106706 | 0 | None | 416 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL286231 | 106706 | 0 | None | 416 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 587 | 13 | 4 | 10 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccccc3O)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281384 | 126090 | 0 | None | 331 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL34406 | 126090 | 0 | None | 331 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 601 | 14 | 3 | 10 | 4.4 | COc1ccc(OCc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44402803 | 139518 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 601 | 13 | 3 | 6 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL369939 | 139518 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 601 | 13 | 3 | 6 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301803 | 174585 | 0 | None | 407 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL430594 | 174585 | 0 | None | 407 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 588 | 12 | 3 | 7 | 5.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(Cc3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 9915238 | 204945 | 2 | None | 478 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL57486 | 204945 | 2 | None | 478 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 9933039 | 169824 | 0 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL417613 | 169824 | 0 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 1960 | 9632 | 67 | None | -1 | 19 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 439260 | 9632 | 67 | None | -1 | 19 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 505 | 9632 | 67 | None | -1 | 19 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| CHEMBL1437 | 9632 | 67 | None | -1 | 19 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| DB00368 | 9632 | 67 | None | -1 | 19 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 10.1016/j.bmc.2007.11.060 | ||
| 9933039 | 169824 | 0 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL417613 | 169824 | 0 | None | -1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00170-x | ||
| 44457929 | 91552 | 0 | None | 91 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| CHEMBL22318 | 91552 | 0 | None | 91 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 593 | 17 | 3 | 10 | 3.9 | CCCCCCCCn1nnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00182-1 | ||
| 9915238 | 204945 | 2 | None | 478 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL57486 | 204945 | 2 | None | 478 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00277-2 | ||
| 10841426 | 123650 | 0 | None | 316 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL338216 | 123650 | 0 | None | 316 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 610 | 11 | 3 | 7 | 6.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 9915238 | 204945 | 2 | None | 478 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL57486 | 204945 | 2 | None | 478 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 9984028 | 126504 | 0 | None | 794 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL347582 | 126504 | 0 | None | 794 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0101500 | ||
| 9984028 | 126504 | 0 | None | 794 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0509445 | ||
| CHEMBL347582 | 126504 | 0 | None | 794 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 515 | 11 | 4 | 6 | 3.8 | Cc1ccc(S(=O)(=O)NC(=O)Cc2cccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1021/jm0509445 | ||
| 44441228 | 174551 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL430390 | 174551 | 0 | None | 3 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 431 | 9 | 4 | 6 | 4.3 | C[C@H](CNc1ccc(-c2nc(C(=O)O)cs2)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 90645344 | 119233 | 0 | None | -19 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298324 | 119233 | 0 | None | -19 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 550 | 11 | 6 | 7 | 5.0 | COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN | 10.1016/j.bmcl.2014.04.095 | ||
| 12049919 | 209878 | 0 | None | 58 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL63963 | 209878 | 0 | None | 58 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 572 | 12 | 3 | 8 | 4.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3cccc(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44307148 | 210122 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 586 | 12 | 3 | 9 | 3.7 | O=C(c1ccc(F)cc1)c1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL64991 | 210122 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 586 | 12 | 3 | 9 | 3.7 | O=C(c1ccc(F)cc1)c1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00422-4 | ||
| 44579940 | 198671 | 0 | None | 37 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(C(=O)O)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL519985 | 198671 | 0 | None | 37 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc(C(=O)O)c1 | 10.1016/j.bmcl.2008.08.009 | ||
| 24894127 | 101250 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 518 | 11 | 4 | 7 | 3.6 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(C)(C)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL251372 | 101250 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 518 | 11 | 4 | 7 | 3.6 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(C)(C)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 11152564 | 106791 | 0 | None | 4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL286818 | 106791 | 0 | None | 4 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(C[C@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 44392577 | 129320 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 455 | 10 | 4 | 6 | 3.2 | CC#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL360133 | 129320 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 455 | 10 | 4 | 6 | 3.2 | CC#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44444173 | 100756 | 0 | None | 5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL248547 | 100756 | 0 | None | 5 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 516 | 11 | 4 | 7 | 3.3 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 44579941 | 190890 | 0 | None | -3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 494 | 10 | 3 | 5 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1N1CCCC1=O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL482627 | 190890 | 0 | None | -3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 494 | 10 | 3 | 5 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1N1CCCC1=O | 10.1016/j.bmcl.2008.08.009 | ||
| 44268569 | 104970 | 0 | None | 43 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL274143 | 104970 | 0 | None | 43 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 598 | 17 | 5 | 7 | 4.5 | CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 24822310 | 104517 | 0 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL271576 | 104517 | 0 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 24822310 | 104517 | 0 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL271576 | 104517 | 0 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| 24822310 | 104517 | 0 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm800222k | ||
| CHEMBL271576 | 104517 | 0 | None | 41 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm800222k | ||
| 44396671 | 73493 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 587 | 10 | 4 | 7 | 4.6 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cc(Cl)c(Cl)s4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL185636 | 73493 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 587 | 10 | 4 | 7 | 4.6 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cc(Cl)c(Cl)s4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 44419316 | 91033 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 559 | 14 | 4 | 8 | 3.8 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL221188 | 91033 | 0 | None | -1 | 2 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 559 | 14 | 4 | 8 | 3.8 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12 | 10.1016/j.bmcl.2006.08.010 | ||
| 44268470 | 31642 | 0 | None | 33 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| CHEMBL13453 | 31642 | 0 | None | 33 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 527 | 14 | 5 | 7 | 3.5 | CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1 | 10.1016/s0960-894x(98)00170-x | ||
| 46881617 | 14715 | 0 | None | 1230 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1090425 | 14715 | 0 | None | 1230 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 397 | 9 | 4 | 7 | 2.2 | Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46882029 | 12531 | 0 | None | 87 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCn2cccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078496 | 12531 | 0 | None | 87 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 454 | 11 | 3 | 5 | 4.2 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cccc(CCn2cccc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44298728 | 201562 | 0 | None | 5248 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL53842 | 201562 | 0 | None | 5248 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 401 | 8 | 2 | 3 | 4.1 | CCCCCCNC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 10627736 | 123774 | 0 | None | 141 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL338794 | 123774 | 0 | None | 141 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 44268295 | 105320 | 0 | None | 8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276480 | 105320 | 0 | None | 8 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 408 | 12 | 4 | 6 | 2.1 | CCCS(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44579964 | 193898 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL491634 | 193898 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 9 | 3 | 4 | 4.7 | O=C(O)c1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1 | 10.1016/j.bmcl.2008.08.009 | ||
| 44461716 | 212091 | 0 | None | 33 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL79363 | 212091 | 0 | None | 33 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 10301101 | 109737 | 0 | None | 1659 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 509 | 9 | 3 | 6 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL306423 | 109737 | 0 | None | 1659 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 509 | 9 | 3 | 6 | 3.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 9908924 | 148433 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL38538 | 148433 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 10281165 | 11185 | 0 | None | 16 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.3 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL101485 | 11185 | 0 | None | 16 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 560 | 11 | 5 | 7 | 3.3 | O=C(Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)COc3ccc(O)cc3)CC2)cc1)NC1CCCCC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 10553602 | 133930 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL36568 | 133930 | 0 | None | -1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 506 | 10 | 6 | 8 | 0.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)NCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44268214 | 25341 | 0 | None | -39 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12762 | 25341 | 0 | None | -39 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 331 | 10 | 3 | 5 | 2.4 | COc1ccc(CCCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44268264 | 105008 | 0 | None | -120 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL274361 | 105008 | 0 | None | -120 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 45271523 | 201907 | 0 | None | -61 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204000 | 201907 | 0 | None | -61 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550096 | 201907 | 0 | None | -61 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 9962058 | 211561 | 0 | None | 165 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74860 | 211561 | 0 | None | 165 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 628 | 12 | 6 | 6 | 6.7 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(CC4NCCc5cc(O)c(O)cc54)c3)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44268267 | 25211 | 0 | None | -199 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL12719 | 25211 | 0 | None | -199 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 345 | 10 | 3 | 5 | 2.8 | COc1ccc(CC[C@@H](C)NC[C@@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 44444393 | 173194 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 353 | 8 | 2 | 6 | 3.1 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL427711 | 173194 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 353 | 8 | 2 | 6 | 3.1 | Cc1nc(-c2ccc(OCCNC[C@H](O)c3cccnc3)cc2)c(C)o1 | 10.1016/j.bmcl.2007.06.072 | ||
| 24824227 | 165131 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 453 | 11 | 3 | 5 | 3.9 | O=C(O)COc1ccc(C(=O)c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL408958 | 165131 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 453 | 11 | 3 | 5 | 3.9 | O=C(O)COc1ccc(C(=O)c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 10573759 | 106455 | 0 | None | 20 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL284520 | 106455 | 0 | None | 20 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 412 | 9 | 5 | 5 | 3.5 | C[C@H](NCCc1cc(Cl)c(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 45272417 | 202220 | 0 | None | -8 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448074 | 202220 | 0 | None | -8 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552368 | 202220 | 0 | None | -8 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 45273281 | 202517 | 0 | None | -12 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL2448075 | 202517 | 0 | None | -12 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557295 | 202517 | 0 | None | -12 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 455 | 10 | 4 | 4 | 4.7 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 10981769 | 84007 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL2079543 | 84007 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 44287268 | 165796 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL40966 | 165796 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | ||
| 44472610 | 144735 | 0 | None | -234 | 4 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL3764088 | 144735 | 0 | None | -234 | 4 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 418 | 7 | 3 | 6 | 2.3 | O=C(Cn1ncccc1=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 10981769 | 84007 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| CHEMBL2079543 | 84007 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 379 | 9 | 4 | 5 | 2.8 | C[C@H](NCCc1ccc(OCC(=O)O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1 | 10.1021/jm020177z | ||
| 10296855 | 15256 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)N1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL109397 | 15256 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 437 | 9 | 3 | 4 | 3.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)N1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44268365 | 105345 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL276659 | 105345 | 0 | None | -9 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 406 | 10 | 4 | 5 | 3.2 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 50994950 | 143880 | 0 | None | 173 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 450 | 7 | 2 | 5 | 3.5 | CCOC(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747487 | 143880 | 0 | None | 173 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 450 | 7 | 2 | 5 | 3.5 | CCOC(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| 11091850 | 54005 | 0 | None | -63 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| CHEMBL154370 | 54005 | 0 | None | -63 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 465 | 11 | 4 | 4 | 4.6 | Cc1ccc(CNC(=O)Cc2ccc(NC[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm0101500 | ||
| 11661536 | 82751 | 0 | None | 50 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| CHEMBL205389 | 82751 | 0 | None | 50 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 411 | 9 | 4 | 5 | 3.8 | O=C(O)c1cncc(-c2cccc(NCCNC[C@H](O)c3cccc(Cl)c3)c2)c1 | 10.1021/jm0509445 | ||
| 56678847 | 73151 | 0 | None | -99 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814274 | 73151 | 0 | None | -99 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851691 | 73151 | 0 | None | -99 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 527 | 18 | 5 | 7 | 3.2 | O=C1CN(Cc2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C(=O)N1 | 10.1016/j.bmc.2011.05.064 | ||
| 53357712 | 73181 | 0 | None | -79 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814271 | 73181 | 0 | None | -79 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851848 | 73181 | 0 | None | -79 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 541 | 17 | 5 | 7 | 3.9 | CC1(C)NC(=O)N(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 11169365 | 119289 | 0 | None | -223 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | 119289 | 0 | None | -223 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | 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 | ||
| 46833103 | 14185 | 0 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1086535 | 14185 | 0 | None | -7 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 433 | 16 | 5 | 7 | 3.0 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O | 10.1021/jm100326d | ||
| 44517696 | 202550 | 0 | None | -17 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204007 | 202550 | 0 | None | -17 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL557705 | 202550 | 0 | None | -17 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 9821129 | 211219 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL72169 | 211219 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | ||
| 42625897 | 19248 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| CHEMBL1186265 | 19248 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| CHEMBL456485 | 19248 | 0 | None | -501 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 18 | 4 | 8 | 3.1 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)N1CCOCC1 | 10.1021/jm801016j | ||
| 42625821 | 19316 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1186678 | 19316 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL474393 | 19316 | 0 | None | -630 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 522 | 18 | 4 | 7 | 3.4 | CN(C)S(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 443372 | 17006 | 26 | None | -7585 | 9 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL1160723 | 17006 | 26 | None | -7585 | 9 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| CHEMBL2062275 | 17006 | 26 | None | -7585 | 9 | Rat | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm00019a001 | ||
| 45381933 | 129317 | 0 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 9 | 4 | 6 | 2.7 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C(F)(F)F)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601308 | 129317 | 0 | None | 12 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 9 | 4 | 6 | 2.7 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C(F)(F)F)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 46881698 | 13940 | 0 | None | 21 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085444 | 13940 | 0 | None | 21 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 458 | 10 | 3 | 5 | 2.9 | O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44281343 | 117146 | 0 | None | 123 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL32418 | 117146 | 0 | None | 123 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 639 | 14 | 3 | 13 | 5.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(C4N=NN=N4)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 10112744 | 161434 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| CHEMBL399522 | 161434 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 418 | 9 | 2 | 7 | 4.0 | O[C@@H](CNCCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1 | 10.1016/j.bmcl.2007.06.072 | ||
| 45271523 | 201907 | 0 | None | -61 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1204000 | 201907 | 0 | None | -61 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550096 | 201907 | 0 | None | -61 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 10 | 4 | 4 | 4.4 | Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44127677 | 202184 | 0 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1ccc2ccccc2n1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL552089 | 202184 | 0 | None | 2 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 471 | 11 | 4 | 6 | 3.7 | O=C(Cc1ccc2ccccc2n1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44281074 | 121907 | 0 | None | 181 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33438 | 121907 | 0 | None | 181 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 549 | 14 | 3 | 9 | 3.7 | CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 45280021 | 129316 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 2.9 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CCC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601307 | 129316 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 444 | 10 | 4 | 6 | 2.9 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CCC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.5b00638 | ||
| 10232593 | 12169 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 609 | 17 | 6 | 7 | 4.8 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107129 | 12169 | 0 | None | 1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 609 | 17 | 6 | 7 | 4.8 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 10601234 | 118784 | 0 | None | 23 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL32888 | 118784 | 0 | None | 23 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 493 | 11 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(COCC(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 9831168 | 211481 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL74085 | 211481 | 0 | None | 1 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 552 | 11 | 6 | 6 | 5.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC3NCCc4cc(O)c(O)cc43)cc2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44377804 | 176000 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 552 | 9 | 4 | 8 | 2.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1Cl | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL440924 | 176000 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 552 | 9 | 4 | 8 | 2.9 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(CC4SC(=O)NC4=O)cc3)CC2)ccc1Cl | 10.1016/s0960-894x(01)00063-4 | ||
| 10160281 | 11009 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 437 | 12 | 3 | 4 | 4.9 | CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100414 | 11009 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 437 | 12 | 3 | 4 | 4.9 | CCCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44335663 | 11562 | 0 | None | 12 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104076 | 11562 | 0 | None | 12 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 560 | 13 | 4 | 7 | 4.5 | O=C(Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1)OCCc1ccccc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44335588 | 12045 | 0 | None | 131 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL106487 | 12045 | 0 | None | 131 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 496 | 13 | 4 | 6 | 3.9 | CCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 44377665 | 175112 | 0 | None | 741 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL434284 | 175112 | 0 | None | 741 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 567 | 15 | 3 | 7 | 3.4 | COCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 46881902 | 14618 | 0 | None | 77 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 9 | 3 | 5 | 3.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1N1CCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089735 | 14618 | 0 | None | 77 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 430 | 9 | 3 | 5 | 3.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1N1CCCC1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44335618 | 11559 | 0 | None | 29 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL104061 | 11559 | 0 | None | 29 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 497 | 12 | 5 | 6 | 3.3 | CCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | ||
| 44574868 | 185353 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nccn1Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467103 | 185353 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 534 | 13 | 3 | 6 | 4.8 | O=C(Cc1nccn1Cc1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 11163954 | 101439 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 314 | 6 | 3 | 2 | 3.7 | OC(CNCCc1c[nH]c2ccccc12)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL25254 | 101439 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 314 | 6 | 3 | 2 | 3.7 | OC(CNCCc1c[nH]c2ccccc12)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 46881614 | 15135 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 366 | 9 | 3 | 7 | 1.2 | O=C(Cn1cncn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1093086 | 15135 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 366 | 9 | 3 | 7 | 1.2 | O=C(Cn1cncn1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10225274 | 20455 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 440 | 10 | 4 | 5 | 3.5 | CC(C)(Cc1ccc(NS(=O)(=O)Nc2ccccc2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1194766 | 20455 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 440 | 10 | 4 | 5 | 3.5 | CC(C)(Cc1ccc(NS(=O)(=O)Nc2ccccc2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL553279 | 20455 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 440 | 10 | 4 | 5 | 3.5 | CC(C)(Cc1ccc(NS(=O)(=O)Nc2ccccc2)cc1)NC[C@H](O)c1cccnc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 44312949 | 210543 | 0 | None | 42 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL67998 | 210543 | 0 | None | 42 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 602 | 11 | 6 | 6 | 6.2 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(CC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 44307343 | 210382 | 0 | None | 74 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL66964 | 210382 | 0 | None | 74 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 457 | 12 | 3 | 7 | 2.5 | COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 44298695 | 107712 | 0 | None | 141 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL294008 | 107712 | 0 | None | 141 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 414 | 10 | 1 | 3 | 5.1 | CCCCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44281372 | 106894 | 0 | None | 354 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL287562 | 106894 | 0 | None | 354 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 621 | 13 | 3 | 9 | 5.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc4ccccc4c3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44419332 | 148538 | 0 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| CHEMBL386016 | 148538 | 0 | None | 1 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 505 | 11 | 4 | 8 | 2.5 | Cn1c(=O)[nH]c2cccc(OC[C@@H](O)CNC(C)(C)Cc3ccc(Oc4ccc(C(N)=O)cn4)cc3)c21 | 10.1016/j.bmcl.2006.08.010 | ||
| 24949262 | 194851 | 1 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| CHEMBL497847 | 194851 | 1 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 437 | 7 | 3 | 4 | 5.0 | O=C(O)c1cccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)c1 | 10.1021/jm800222k | ||
| 52949934 | 24420 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258372 | 24420 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 10100 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44402731 | 78209 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 605 | 12 | 3 | 6 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL196081 | 78209 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 605 | 12 | 3 | 6 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 11758172 | 107711 | 0 | None | 147 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL293994 | 107711 | 0 | None | 147 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | ||
| 11758172 | 107711 | 0 | None | 147 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL293994 | 107711 | 0 | None | 147 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44580011 | 193579 | 0 | None | 52 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL489200 | 193579 | 0 | None | 52 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 468 | 10 | 4 | 5 | 4.7 | CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O | 10.1016/j.bmcl.2008.08.009 | ||
| 10438390 | 210181 | 0 | None | 138 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| CHEMBL65513 | 210181 | 0 | None | 138 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 590 | 12 | 3 | 8 | 4.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-n2ncc(Cc3ccc(F)c(F)c3)n2)cc1 | 10.1016/s0960-894x(00)00422-4 | ||
| 10809699 | 119115 | 0 | None | 8 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL32933 | 119115 | 0 | None | 8 | 2 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 378 | 9 | 5 | 5 | 2.8 | C[C@H](NCCc1ccc(NCC(=O)O)cc1Cl)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44402693 | 140364 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL371220 | 140364 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 620 | 12 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301979 | 107639 | 0 | None | 2630 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL293577 | 107639 | 0 | None | 2630 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 607 | 11 | 3 | 8 | 6.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cnc4ccccc4c3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 44560739 | 180591 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 449 | 11 | 4 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(C[C@H](CO)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL453835 | 180591 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 449 | 11 | 4 | 5 | 4.1 | CC(C)Oc1cc(-c2ccc(C[C@H](CO)NC[C@H](O)c3ccccc3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 11611195 | 20223 | 0 | None | 70 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL1193081 | 20223 | 0 | None | 70 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL544427 | 20223 | 0 | None | 70 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| 11611195 | 20223 | 0 | None | 70 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL1193081 | 20223 | 0 | None | 70 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| CHEMBL544427 | 20223 | 0 | None | 70 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 407 | 10 | 3 | 6 | 3.2 | CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl | 10.1021/jm020177z | ||
| 24822469 | 104553 | 0 | None | 26 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 401 | 8 | 3 | 4 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 | 10.1021/jm701324c | ||
| CHEMBL271765 | 104553 | 0 | None | 26 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 401 | 8 | 3 | 4 | 4.6 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1 | 10.1021/jm701324c | ||
| 44396730 | 73593 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 547 | 12 | 4 | 6 | 5.5 | O=S(=O)(Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(OCc4ccccc4)cccc23)c1)c1cccs1 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL186059 | 73593 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 547 | 12 | 4 | 6 | 5.5 | O=S(=O)(Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(OCc4ccccc4)cccc23)c1)c1cccs1 | 10.1016/j.bmcl.2004.09.054 | ||
| 10651078 | 24714 | 0 | None | 99 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | ||
| CHEMBL125963 | 24714 | 0 | None | 99 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(F)c3F)cs2)cc1 | 10.1021/jm000286i | ||
| 145982668 | 172693 | 0 | None | 15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4250215 | 172693 | 0 | None | 15 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 418 | 11 | 3 | 4 | 4.1 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)c2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24937390 | 24387 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258259 | 24387 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 44303198 | 209937 | 0 | None | 3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64201 | 209937 | 0 | None | 3 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 568 | 11 | 4 | 7 | 2.6 | Nc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1 | 10.1016/s0960-894x(98)00381-3 | ||
| 145984792 | 172508 | 0 | None | 776 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4246134 | 172508 | 0 | None | 776 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 461 | 12 | 4 | 5 | 3.1 | CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1 | 10.1016/j.ejmech.2018.03.032 | ||
| 3038500 | 16112 | 12 | None | -2 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL111201 | 16112 | 12 | None | -2 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/acs.jmedchem.5b01372 | ||
| 9801145 | 100197 | 0 | None | 316 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| CHEMBL245874 | 100197 | 0 | None | 316 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 400 | 9 | 4 | 5 | 4.0 | O=C(O)c1ccoc1-c1cccc(NCCNC[C@H](O)c2cccc(Cl)c2)c1 | 10.1016/j.bmcl.2007.05.069 | ||
| 90645347 | 119290 | 0 | None | -39 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| CHEMBL3298987 | 119290 | 0 | None | -39 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 578 | 12 | 6 | 7 | 5.6 | CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1 | 10.1016/j.bmcl.2014.04.095 | ||
| 10238776 | 73250 | 0 | None | -10 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1835853 | 73250 | 0 | None | -10 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1852214 | 73250 | 0 | None | -10 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 473 | 17 | 6 | 6 | 3.6 | NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1016/j.bmc.2011.08.043 | ||
| 46832798 | 20975 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1084648 | 20975 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| CHEMBL1198879 | 20975 | 0 | None | -19 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cc(Cl)ccc2Cl)ccc1O | 10.1021/jm100326d | ||
| 12114484 | 109710 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 8 | 4 | 8 | 3.4 | O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCC(NC[C@H](O)COc2cccc3[nH]c(O)nc23)CC1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL306233 | 109710 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 536 | 8 | 4 | 8 | 3.4 | O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCC(NC[C@H](O)COc2cccc3[nH]c(O)nc23)CC1 | 10.1016/s0960-894x(03)00387-1 | ||
| 11236495 | 106651 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 342 | 6 | 3 | 2 | 4.5 | CC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL285899 | 106651 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 342 | 6 | 3 | 2 | 4.5 | CC(C)(Cc1c[nH]c2ccccc12)NCC(O)c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00073-8 | ||
| 10301445 | 11062 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 9 | 5 | 5 | 4.3 | O=C(O)c1cccc(NC(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL100724 | 11062 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 516 | 9 | 5 | 5 | 4.3 | O=C(O)c1cccc(NC(=O)N2CCC(CNC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)c1 | 10.1016/s0960-894x(02)00607-8 | ||
| 45270680 | 201817 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203993 | 201817 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL549421 | 201817 | 0 | None | -5 | 2 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 10 | 4 | 4 | 4.1 | O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44574867 | 185352 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 13 | 3 | 6 | 4.4 | O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467102 | 185352 | 0 | None | 2 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 562 | 13 | 3 | 6 | 4.4 | O=C(Cc1nccn1Cc1ccc(Br)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 122184771 | 129298 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 434 | 11 | 4 | 7 | 2.0 | CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL3601202 | 129298 | 0 | None | 3 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 434 | 11 | 4 | 7 | 2.0 | CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | ||
| 46845698 | 12554 | 0 | None | 165 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078696 | 12554 | 0 | None | 165 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44307064 | 210114 | 0 | None | 5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL64936 | 210114 | 0 | None | 5 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 461 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 9933039 | 169824 | 0 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL417613 | 169824 | 0 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44574827 | 185411 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 518 | 13 | 3 | 6 | 4.3 | O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| CHEMBL467502 | 185411 | 0 | None | 3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 518 | 13 | 3 | 6 | 4.3 | O=C(Cc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.03.044 | ||
| 46881650 | 13632 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 396 | 9 | 3 | 6 | 2.9 | Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084136 | 13632 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 396 | 9 | 3 | 6 | 2.9 | Cc1csc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44392223 | 72450 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 9 | 5 | 4 | 4.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL183433 | 72450 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 439 | 9 | 5 | 4 | 4.2 | O=C(Nc1ccccc1)Nc1ccc(C[C@@H](CO)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44127050 | 203452 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccccc1Cl)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL564544 | 203452 | 0 | None | -1 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1ccccc1Cl)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44281073 | 125984 | 0 | None | 316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL34328 | 125984 | 0 | None | 316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 551 | 14 | 4 | 9 | 3.5 | CCC(O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 127041869 | 143840 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 448 | 7 | 2 | 5 | 3.0 | CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3746885 | 143840 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 448 | 7 | 2 | 5 | 3.0 | CCOC(=O)[C@H]1[C@H]2CN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)C[C@H]21 | 10.1016/j.bmcl.2015.11.030 | ||
| 44385716 | 66387 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 520 | 8 | 2 | 7 | 4.1 | O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(N2CCC(NC[C@H](O)COc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL171963 | 66387 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 520 | 8 | 2 | 7 | 4.1 | O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(N2CCC(NC[C@H](O)COc3ccccc3)CC2)cc1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44286965 | 167188 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| CHEMBL41113 | 167188 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | ||
| 46845699 | 12576 | 0 | None | 208 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078876 | 12576 | 0 | None | 208 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 9 | 3 | 5 | 4.1 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c(N2CCCC2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 44285692 | 144005 | 0 | None | 398 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL37512 | 144005 | 0 | None | 398 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 478 | 10 | 3 | 7 | 3.7 | Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)co1 | 10.1016/s0960-894x(00)00277-8 | ||
| 46881935 | 13938 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 428 | 9 | 3 | 7 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-n1nccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085441 | 13938 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 428 | 9 | 3 | 7 | 2.8 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-n1nccn1 | 10.1016/j.bmcl.2010.01.130 | ||
| 76318363 | 112692 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 391 | 7 | 3 | 6 | 2.3 | O=C(Cn1cccn1)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| CHEMBL3128186 | 112692 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 391 | 7 | 3 | 6 | 2.3 | O=C(Cn1cccn1)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 | 10.1021/jm4017224 | ||
| 45270697 | 201949 | 0 | None | -44 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203995 | 201949 | 0 | None | -44 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550444 | 201949 | 0 | None | -44 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44335572 | 11945 | 0 | None | 64 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| CHEMBL105968 | 11945 | 0 | None | 64 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 475 | 9 | 3 | 5 | 3.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Br)cc1 | 10.1016/s0960-894x(98)00571-x | ||
| 9933039 | 169824 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL417613 | 169824 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 9933039 | 169824 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL417613 | 169824 | 0 | None | -1 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 9896742 | 211723 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL76403 | 211723 | 0 | None | -2 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 618 | 12 | 6 | 7 | 6.0 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3cc(OCC4NCCc5cc(O)c(O)cc54)ccc3c2)cc1 | 10.1016/s0960-894x(00)00459-5 | ||
| 52943919 | 24493 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258597 | 24493 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | ||
| 44281467 | 126144 | 0 | None | 25 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL34441 | 126144 | 0 | None | 25 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 648 | 14 | 4 | 10 | 3.8 | CS(=O)(=O)Nc1ccc(Cc2nc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 56672116 | 73139 | 0 | None | -316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1814276 | 73139 | 0 | None | -316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| CHEMBL1851624 | 73139 | 0 | None | -316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 570 | 19 | 5 | 8 | 2.4 | NC(=O)CN1C(=O)CN(c2cccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)c2)C1=O | 10.1016/j.bmc.2011.05.064 | ||
| 46832509 | 20984 | 0 | None | -316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1085399 | 20984 | 0 | None | -316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| CHEMBL1198908 | 20984 | 0 | None | -316 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 18 | 5 | 8 | 2.7 | CS(=O)(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm100326d | ||
| 44311757 | 109781 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 335 | 9 | 3 | 5 | 2.1 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(F)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL306838 | 109781 | 0 | None | - | 1 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 335 | 9 | 3 | 5 | 2.1 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(F)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 11002571 | 54873 | 0 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| CHEMBL155092 | 54873 | 0 | None | -1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 348 | 8 | 4 | 4 | 3.2 | C[C@H](CNc1ccc(C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm0101500 | ||
| 10184665 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 4799 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 7353 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| CHEMBL1198857 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| DB09082 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1016/j.bmc.2011.08.043 | ||
| 42625515 | 19502 | 0 | None | -1258 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL1187711 | 19502 | 0 | None | -1258 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| CHEMBL516056 | 19502 | 0 | None | -1258 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 508 | 18 | 5 | 7 | 3.0 | CNS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 | 10.1021/jm801016j | ||
| 10184665 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 4799 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 7353 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| CHEMBL1198857 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| DB09082 | 10763 | 51 | None | -40 | 10 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm100326d | ||
| 10204992 | 20576 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.5 | C[C@H]1CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C[C@@H](C)O1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1195606 | 20576 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.5 | C[C@H]1CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C[C@@H](C)O1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL554963 | 20576 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 462 | 9 | 3 | 6 | 2.5 | C[C@H]1CN(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)c3cccnc3)cc2)C[C@@H](C)O1 | 10.1016/s0960-894x(04)00462-7 | ||
| 46881652 | 13634 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 442 | 10 | 4 | 6 | 2.9 | O=C(Cc1nnc(-c2ccccc2)[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084138 | 13634 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 442 | 10 | 4 | 6 | 2.9 | O=C(Cc1nnc(-c2ccccc2)[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10187201 | 11953 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 540 | 17 | 5 | 6 | 4.9 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL106022 | 11953 | 0 | None | 77 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 540 | 17 | 5 | 6 | 4.9 | CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 10008017 | 106648 | 10 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| CHEMBL285881 | 106648 | 10 | None | 7 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 562 | 12 | 6 | 8 | 2.3 | CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O | 10.1021/jm000544b | ||
| 44281371 | 106896 | 0 | None | 125 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL287567 | 106896 | 0 | None | 125 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 655 | 14 | 3 | 10 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(COc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 15483883 | 107008 | 0 | None | 501 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL288550 | 107008 | 0 | None | 501 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 589 | 13 | 3 | 9 | 4.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(COc3ccc(F)cc3)no2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281219 | 118791 | 0 | None | 251 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL32891 | 118791 | 0 | None | 251 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 588 | 12 | 4 | 9 | 4.0 | NC(c1ccc(F)cc1)c1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00268-7 | ||
| 44281470 | 120351 | 0 | None | 316 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33224 | 120351 | 0 | None | 316 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 589 | 12 | 4 | 9 | 4.0 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(C(O)c3ccc(F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 10054896 | 120916 | 0 | None | 162 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| CHEMBL33292 | 120916 | 0 | None | 162 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 639 | 13 | 3 | 9 | 5.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2noc(Cc3ccc(OC(F)(F)F)cc3)n2)cc1 | 10.1016/s0960-894x(00)00268-7 | ||
| 24895196 | 185644 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 434 | 10 | 4 | 5 | 4.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(N)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| CHEMBL469685 | 185644 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 434 | 10 | 4 | 5 | 4.3 | CC(C)Oc1cc(-c2ccc(CCNC[C@H](O)c3cccc(N)c3)cc2)ccc1C(=O)O | 10.1021/jm8000345 | ||
| 44298290 | 174985 | 0 | None | 93 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL433454 | 174985 | 0 | None | 93 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 371 | 4 | 1 | 5 | 3.9 | Cc1csc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)n1 | 10.1016/s0960-894x(99)00277-2 | ||
| 44444176 | 100798 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 558 | 11 | 4 | 7 | 4.5 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CCCCC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| CHEMBL248751 | 100798 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 558 | 11 | 4 | 7 | 4.5 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C1(CCCCC1)C(=O)N2 | 10.1016/j.bmcl.2007.09.011 | ||
| 53326197 | 65434 | 0 | None | 28 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684584 | 65434 | 0 | None | 28 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(C[C@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 52944986 | 24385 | 0 | None | 26 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258257 | 24385 | 0 | None | 26 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | ||
| 44392240 | 71093 | 0 | None | 6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 401 | 12 | 5 | 5 | 2.2 | CCCNC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| CHEMBL181115 | 71093 | 0 | None | 6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 401 | 12 | 5 | 5 | 2.2 | CCCNC(=O)Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1 | 10.1016/j.bmcl.2004.11.001 | ||
| 44396623 | 73819 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccc(N)cc4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| CHEMBL187131 | 73819 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccc(N)cc4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | ||
| 567 | 7512 | 16 | None | 2 | 7 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 9841972 | 7512 | 16 | None | 2 | 7 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| CHEMBL284782 | 7512 | 16 | None | 2 | 7 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1021/jm00094a025 | ||
| 145983886 | 172720 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 474 | 11 | 5 | 5 | 4.4 | COc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4250942 | 172720 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 474 | 11 | 5 | 5 | 4.4 | COc1ccccc1NC(=O)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 44580039 | 193729 | 0 | None | 15 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O)c1ccccc1 | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL490222 | 193729 | 0 | None | 15 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 530 | 11 | 4 | 5 | 5.9 | O=C(Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)cc1C(=O)O)c1ccccc1 | 10.1016/j.bmcl.2008.08.009 | ||
| 145982607 | 172499 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| CHEMBL4245968 | 172499 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 432 | 12 | 3 | 4 | 4.0 | CCc1ccccc1OC[C@@H](O)CNCCc1ccc(NC(=O)Cc2ccccc2)cc1 | 10.1016/j.ejmech.2018.03.032 | ||
| 24822304 | 104640 | 0 | None | -6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 412 | 9 | 3 | 5 | 4.1 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| CHEMBL272234 | 104640 | 0 | None | -6 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 412 | 9 | 3 | 5 | 4.1 | O=C(O)c1ccc(Oc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)nc1 | 10.1021/jm701324c | ||
| 76332892 | 112691 | 0 | None | 281 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| CHEMBL3128185 | 112691 | 0 | None | 281 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 528 | 7 | 3 | 6 | 5.4 | O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)[C@@H]1CCc2sc(-c3ccc(F)cc3)nc21 | 10.1021/jm4017224 | ||
| 46881530 | 14095 | 0 | None | 691 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1086149 | 14095 | 0 | None | 691 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 415 | 9 | 4 | 5 | 3.0 | O=C(Cc1nc2ccccc2[nH]1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 135995977 | 69854 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 547 | 8 | 6 | 10 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NO)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 136727661 | 69854 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 547 | 8 | 6 | 10 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NO)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL178848 | 69854 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 547 | 8 | 6 | 10 | 2.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NO)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 10142284 | 11661 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 11 | 5 | 6 | 3.9 | O=C(NC1CCCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL104481 | 11661 | 0 | None | 1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 11 | 5 | 6 | 3.9 | O=C(NC1CCCCC1)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 9958539 | 109882 | 0 | None | -104 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| CHEMBL307647 | 109882 | 0 | None | -104 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1016/s0960-894x(00)00459-5 | ||
| 53326839 | 65431 | 0 | None | 26 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| CHEMBL1684581 | 65431 | 0 | None | 26 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 649 | 9 | 3 | 6 | 7.7 | O=S(=O)(Nc1ccc(CC2CC[C@@H]([C@H](O)c3ccccc3)N2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1016/j.bmcl.2010.12.087 | ||
| 44461717 | 112457 | 0 | None | 24 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| CHEMBL312546 | 112457 | 0 | None | 24 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(99)00073-6 | ||
| 11799609 | 121576 | 0 | None | 31 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 9 | 5 | 5 | 3.7 | C[C@H](NCCc1cc(Br)c(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL33399 | 121576 | 0 | None | 31 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 500 | 9 | 5 | 5 | 3.7 | C[C@H](NCCc1cc(Br)c(NCC(=O)O)c(Br)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44517694 | 201950 | 0 | None | -17 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203996 | 201950 | 0 | None | -17 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL550445 | 201950 | 0 | None | -17 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 451 | 11 | 4 | 5 | 4.1 | COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 | 10.1016/j.bmc.2009.06.031 | ||
| 10672048 | 127890 | 0 | None | 2 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 470 | 9 | 5 | 5 | 2.7 | C[C@H](NCCc1ccc(NCC(=O)O)c(I)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL35738 | 127890 | 0 | None | 2 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 470 | 9 | 5 | 5 | 2.7 | C[C@H](NCCc1ccc(NCC(=O)O)c(I)c1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 44311101 | 108897 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| CHEMBL302370 | 108897 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 333 | 9 | 4 | 6 | 1.7 | COc1ccc(CCNC[C@@H](O)COc2ccc(O)c(O)c2)cc1 | 10.1016/S0960-894X(96)00603-8 | ||
| 44127679 | 202241 | 0 | None | 37 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1cnccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL552497 | 202241 | 0 | None | 37 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 422 | 11 | 4 | 7 | 1.9 | O=C(Cc1cnccn1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44281611 | 107139 | 0 | None | -2 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 402 | 11 | 5 | 6 | 1.6 | C[C@H](NCCc1ccc(N(CC(=O)O)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| CHEMBL289670 | 107139 | 0 | None | -2 | 2 | Rat | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 402 | 11 | 5 | 6 | 1.6 | C[C@H](NCCc1ccc(N(CC(=O)O)CC(=O)O)cc1)[C@H](O)c1ccc(O)cc1 | 10.1021/jm000455z | ||
| 24823468 | 165130 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 457 | 11 | 3 | 5 | 4.8 | O=C(O)COc1ccc(Sc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| CHEMBL408957 | 165130 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 457 | 11 | 3 | 5 | 4.8 | O=C(O)COc1ccc(Sc2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1 | 10.1021/jm701324c | ||
| 44377677 | 63654 | 0 | None | 23 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL164401 | 63654 | 0 | None | 23 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 495 | 10 | 3 | 6 | 2.6 | CN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(99)00072-4 | ||
| 44307007 | 107555 | 0 | None | 4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| CHEMBL292947 | 107555 | 0 | None | 4 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 469 | 12 | 3 | 6 | 3.6 | CC(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3cccnc3)cc2)cc1 | 10.1016/s0960-894x(98)00381-3 | ||
| 10144004 | 210878 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 551 | 12 | 3 | 6 | 4.7 | CCCCOc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL70230 | 210878 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 551 | 12 | 3 | 6 | 4.7 | CCCCOc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 44309322 | 211044 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 504 | 8 | 4 | 10 | 1.5 | O=S(=O)(c1cccc2nsnc12)N1CCC(NC[C@H](O)COc2cccc3[nH]c(O)nc23)CC1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL71192 | 211044 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 504 | 8 | 4 | 10 | 1.5 | O=S(=O)(c1cccc2nsnc12)N1CCC(NC[C@H](O)COc2cccc3[nH]c(O)nc23)CC1 | 10.1016/s0960-894x(03)00387-1 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.5b00638 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.5b00638 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.5b00638 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.5b00638 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.5b00638 | ||
| 10100 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 44472635 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 5311 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| CHEMBL2107826 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| DB14895 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 10.1021/acs.jmedchem.5b01372 | ||
| 46881980 | 12511 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 427 | 9 | 3 | 5 | 4.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccco1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1078394 | 12511 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 427 | 9 | 3 | 5 | 4.5 | O=C(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccccc1-c1ccco1 | 10.1016/j.bmcl.2010.01.130 | ||
| 46881651 | 13633 | 0 | None | 12 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1084137 | 13633 | 0 | None | 12 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 458 | 10 | 3 | 6 | 4.3 | O=C(Cc1nc(-c2ccccc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/j.bmcl.2010.01.130 | ||
| 145832533 | 68761 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 533 | 9 | 5 | 9 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CC4SC(N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 18629731 | 68761 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 533 | 9 | 5 | 9 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CC4SC(N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL177438 | 68761 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 533 | 9 | 5 | 9 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(CC4SC(N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 44280795 | 119354 | 0 | None | 97 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| CHEMBL33013 | 119354 | 0 | None | 97 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 507 | 12 | 3 | 8 | 3.8 | CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1 | 10.1016/s0960-894x(00)00267-5 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm020177z | ||
| 1499 | 8872 | 47 | None | -338 | 38 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| 3779 | 8872 | 47 | None | -338 | 38 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| 536 | 8872 | 47 | None | -338 | 38 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| CHEMBL434 | 8872 | 47 | None | -338 | 38 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| DB01064 | 8872 | 47 | None | -338 | 38 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm000455z | ||
| 44331551 | 113991 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 395 | 9 | 3 | 4 | 3.8 | CCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| CHEMBL316649 | 113991 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 395 | 9 | 3 | 4 | 3.8 | CCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/s0960-894x(02)00607-8 | ||
| 44298718 | 203866 | 0 | None | 22 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| CHEMBL56752 | 203866 | 0 | None | 22 | 3 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 386 | 8 | 1 | 3 | 4.3 | CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 | 10.1016/s0960-894x(99)00277-2 | ||
| 44517692 | 203448 | 0 | None | -14 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203990 | 203448 | 0 | None | -14 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL564516 | 203448 | 0 | None | -14 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 466 | 11 | 4 | 6 | 4.0 | O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44589133 | 182623 | 0 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
| CHEMBL458541 | 182623 | 0 | None | 1 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | ||
| 45269853 | 203347 | 0 | None | 4 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL563872 | 203347 | 0 | None | 4 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 426 | 11 | 3 | 5 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 44127479 | 202958 | 0 | None | -10 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1cccc(Cl)c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL561348 | 202958 | 0 | None | -10 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 454 | 11 | 4 | 5 | 3.8 | O=C(Cc1cccc(Cl)c1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24950055 | 181823 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.3 | Cc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| CHEMBL456772 | 181823 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 451 | 7 | 3 | 4 | 5.3 | Cc1ccc(Oc2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)cc1C(=O)O | 10.1021/jm800222k | ||
| 44392480 | 71353 | 0 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 12 | 4 | 6 | 4.1 | CC/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| CHEMBL181603 | 71353 | 0 | None | 1 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 471 | 12 | 4 | 6 | 4.1 | CC/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1016/j.bmcl.2004.12.033 | ||
| 44385820 | 66774 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\SC(N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL173472 | 66774 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 5 | 9 | 2.0 | CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\SC(N)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 44386368 | 67107 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 599 | 8 | 4 | 9 | 3.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(N5CCCCC5)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL174442 | 67107 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 599 | 8 | 4 | 9 | 3.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(N5CCCCC5)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 12147062 | 68042 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 576 | 8 | 4 | 9 | 3.7 | O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL176629 | 68042 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 576 | 8 | 4 | 9 | 3.7 | O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1 | 10.1016/s0960-894x(01)00147-0 | ||
| 10233153 | 11001 | 0 | None | 5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| CHEMBL100351 | 11001 | 0 | None | 5 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 642 | 11 | 5 | 9 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4ccc5c(C(=O)O)cccc54)cc3)CC2)ccc1O | 10.1016/s0960-894x(02)00608-x | ||
| 10076548 | 170043 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| CHEMBL418600 | 170043 | 0 | None | 4 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 562 | 13 | 5 | 8 | 2.7 | CCCCN(C(=O)CC(=O)O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1 | 10.1021/jm000544b | ||
| 44402728 | 78752 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 608 | 12 | 4 | 6 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL197364 | 78752 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 608 | 12 | 4 | 6 | 6.5 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3c[nH]c4ccccc34)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301880 | 205418 | 0 | None | 5370 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL57908 | 205418 | 0 | None | 5370 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 596 | 11 | 3 | 8 | 6.3 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 12017014 | 107089 | 0 | None | 102 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| CHEMBL289316 | 107089 | 0 | None | 102 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 608 | 12 | 3 | 7 | 5.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2cnc(Cc3cc(F)c(F)c(F)c3)o2)cc1 | 10.1016/s0960-894x(00)00277-8 | ||
| 44579966 | 199397 | 0 | None | 15 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 429 | 9 | 3 | 4 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL521611 | 199397 | 0 | None | 15 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 429 | 9 | 3 | 4 | 4.8 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1F | 10.1016/j.bmcl.2008.08.009 | ||
| 44579925 | 191104 | 0 | None | 6 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 445 | 9 | 3 | 4 | 5.4 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1Cl | 10.1016/j.bmcl.2008.08.009 | ||
| CHEMBL484265 | 191104 | 0 | None | 6 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 445 | 9 | 3 | 4 | 5.4 | O=C(O)c1cc(Oc2cccc(CCNC[C@H](O)c3cccc(Cl)c3)c2)ccc1Cl | 10.1016/j.bmcl.2008.08.009 | ||
| 44377636 | 126876 | 0 | None | 363 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| CHEMBL350931 | 126876 | 0 | None | 363 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 607 | 12 | 3 | 6 | 4.5 | O=C1N(Cc2ccc(F)c(F)c2)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00072-4 | ||
| 44402695 | 77884 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 587 | 12 | 3 | 6 | 6.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL195409 | 77884 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 587 | 12 | 3 | 6 | 6.2 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2ccccc2)cc1)c1ccc(Cc2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301618 | 205860 | 0 | None | 158 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL58798 | 205860 | 0 | None | 158 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 574 | 11 | 3 | 7 | 5.7 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 | 10.1016/s0960-894x(00)00390-5 | ||
| 24949420 | 194894 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| CHEMBL498304 | 194894 | 1 | None | 51 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 422 | 6 | 3 | 4 | 4.3 | O=C(O)c1ccc(-c2ccc3c(c2)C[C@@H](NC[C@H](O)c2cccc(Cl)c2)CC3)nc1 | 10.1021/jm800222k | ||
| 127041559 | 143895 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 3.1 | CCS(=O)(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| CHEMBL3747710 | 143895 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 470 | 7 | 2 | 5 | 3.1 | CCS(=O)(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1 | 10.1016/j.bmcl.2015.11.030 | ||
| 24822971 | 102223 | 0 | None | -3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 | 10.1021/jm701324c | ||
| CHEMBL257106 | 102223 | 0 | None | -3 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 429 | 8 | 3 | 3 | 5.2 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2Cl)cc1 | 10.1021/jm701324c | ||
| 24823130 | 104480 | 0 | None | 38 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F | 10.1021/jm701324c | ||
| CHEMBL271367 | 104480 | 0 | None | 38 | 2 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 413 | 8 | 3 | 3 | 4.7 | O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1F | 10.1021/jm701324c | ||
| 44402687 | 175371 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 619 | 19 | 3 | 6 | 7.5 | CCCCCCCCc1csc(CCc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| CHEMBL435914 | 175371 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 619 | 19 | 3 | 6 | 7.5 | CCCCCCCCc1csc(CCc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4ccccc4)cc3)cc2)n1 | 10.1016/j.bmcl.2005.03.119 | ||
| 44301866 | 107351 | 0 | None | 87 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| CHEMBL291593 | 107351 | 0 | None | 87 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 606 | 18 | 3 | 7 | 6.7 | CCCCCCCCc1csc(Cc2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)n1 | 10.1016/s0960-894x(00)00390-5 | ||
| 10278987 | 109738 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 506 | 10 | 4 | 9 | 1.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1OC | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL306430 | 109738 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 506 | 10 | 4 | 9 | 1.5 | COc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c(O)nc34)CC2)cc1OC | 10.1016/s0960-894x(03)00387-1 | ||
| 135995975 | 134589 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 704 | 11 | 5 | 10 | 4.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NC5CCN(Cc6ccccc6)CC5)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL366395 | 134589 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 704 | 11 | 5 | 10 | 4.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(/C=C4\SC(NC5CCN(Cc6ccccc6)CC5)=NC4=O)cc3)CC2)ccc1O | 10.1016/s0960-894x(01)00147-0 | ||
| 10205463 | 12274 | 0 | None | 10 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 3.0 | CC(C)NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| CHEMBL107633 | 12274 | 0 | None | 10 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 470 | 11 | 5 | 6 | 3.0 | CC(C)NC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 | 10.1016/s0960-894x(01)00645-x | ||
| 44377536 | 62193 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 3 | 7 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4cccnc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| CHEMBL161950 | 62193 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 426 | 7 | 3 | 7 | 2.3 | O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)c4cccnc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00063-4 | ||
| 24822313 | 102858 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1cccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| CHEMBL260100 | 102858 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 395 | 8 | 3 | 3 | 4.6 | O=C(O)c1cccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)c1 | 10.1021/jm701324c | ||
| 44268275 | 26385 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| CHEMBL13003 | 26385 | 0 | None | 1 | 3 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 484 | 14 | 4 | 6 | 3.3 | O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 | 10.1016/s0960-894x(98)00169-3 | ||
| 24886595 | 24418 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258370 | 24418 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10627031 | 106687 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL286126 | 106687 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 578 | 13 | 7 | 9 | 1.1 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 44309633 | 175957 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 549 | 9 | 3 | 5 | 5.1 | CC(C)(C)Cc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| CHEMBL440576 | 175957 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 549 | 9 | 3 | 5 | 5.1 | CC(C)(C)Cc1ccc(S(=O)(=O)N2CCC(NC[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/s0960-894x(03)00387-1 | ||
| 45270673 | 202203 | 0 | None | -58 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL1203992 | 202203 | 0 | None | -58 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| CHEMBL552253 | 202203 | 0 | None | -58 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 406 | 10 | 3 | 5 | 3.9 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)Oc1ccccc1 | 10.1016/j.bmc.2009.06.031 | ||
| 101136734 | 67123 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 8 | 4 | 7 | 2.7 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 44386051 | 67123 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 8 | 4 | 7 | 2.7 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 88054051 | 67123 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 8 | 4 | 7 | 2.7 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| CHEMBL174534 | 67123 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 522 | 8 | 4 | 7 | 2.7 | CN(C)C(=N)NC1=NC(=O)/C(=C/c2ccc(N3CCC(NC[C@H](O)COc4ccccc4)CC3)cc2)S1 | 10.1016/s0960-894x(01)00147-0 | ||
| 10271144 | 20934 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 380 | 10 | 3 | 6 | 1.0 | CN(C)S(=O)(=O)Nc1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1198530 | 20934 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 380 | 10 | 3 | 6 | 1.0 | CN(C)S(=O)(=O)Nc1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL544338 | 20934 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 380 | 10 | 3 | 6 | 1.0 | CN(C)S(=O)(=O)Nc1ccc(OCCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 46881528 | 14033 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 8 | 3 | 4 | 3.8 | Cc1ccc(C)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1085897 | 14033 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 389 | 8 | 3 | 4 | 3.8 | Cc1ccc(C)c(C(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/j.bmcl.2010.01.130 | ||
| 11244811 | 99064 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 342 | 6 | 3 | 2 | 4.4 | Cc1cccc2[nH]cc(CC(C)NCC(O)c3cccc(Cl)c3)c12 | 10.1016/s0960-894x(03)00073-8 | ||
| CHEMBL24269 | 99064 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 342 | 6 | 3 | 2 | 4.4 | Cc1cccc2[nH]cc(CC(C)NCC(O)c3cccc(Cl)c3)c12 | 10.1016/s0960-894x(03)00073-8 | ||
| 52947060 | 24355 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258144 | 24355 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | ||
| 44127478 | 201993 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 435 | 11 | 5 | 6 | 2.6 | NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL550743 | 201993 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 435 | 11 | 5 | 6 | 2.6 | NC(C(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 44127048 | 202134 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.6 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(O)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| CHEMBL551832 | 202134 | 0 | None | -1 | 2 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 436 | 11 | 5 | 6 | 2.6 | O=C(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C(O)c1ccccc1 | 10.1016/j.ejmech.2009.01.022 | ||
| 24936883 | 24103 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1257324 | 24103 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | ||
| 46881872 | 14519 | 0 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| CHEMBL1089052 | 14519 | 0 | None | -1 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 411 | 10 | 4 | 7 | 2.6 | CNc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cs1 | 10.1016/j.bmcl.2010.01.130 | ||
| 10697841 | 169648 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 546 | 9 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| CHEMBL417325 | 169648 | 0 | None | -4 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 546 | 9 | 5 | 8 | 1.7 | CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)CC2)ccc1O | 10.1021/jm000544b | ||
| 10222907 | 20660 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 2.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL1196159 | 20660 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 2.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL556022 | 20660 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 404 | 9 | 3 | 5 | 2.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)N1CCCCC1 | 10.1016/s0960-894x(04)00462-7 | ||
| 10295131 | 15108 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 2 | 4 | 2.4 | CN(C)S(=O)(=O)N(C)c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| CHEMBL109288 | 15108 | 0 | None | - | 1 | Human | 5.0 | pEC50 | = | 5 | Functional | ChEMBL | 411 | 9 | 2 | 4 | 2.4 | CN(C)S(=O)(=O)N(C)c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/s0960-894x(04)00462-7 | ||
| 52943969 | 24567 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258825 | 24567 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 3687256 | 13606 | 7 | None | -3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| CHEMBL1083994 | 13606 | 7 | None | -3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | ||
| 24937140 | 24456 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258483 | 24456 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 52946430 | 24597 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258940 | 24597 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | ||
| 10391011 | 21644 | 0 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 447 | 6 | 4 | 6 | 2.5 | O=C(O)C1(C(=O)O)Oc2cc3c(cc2O1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC3 | 10.1016/0960-894X(95)00483-A | ||
| CHEMBL1207626 | 21644 | 0 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 447 | 6 | 4 | 6 | 2.5 | O=C(O)C1(C(=O)O)Oc2cc3c(cc2O1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC3 | 10.1016/0960-894X(95)00483-A | ||
| CHEMBL421193 | 21644 | 0 | None | - | 1 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 447 | 6 | 4 | 6 | 2.5 | O=C(O)C1(C(=O)O)Oc2cc3c(cc2O1)C[C@@H](NC[C@H](O)c1cccc(Cl)c1)CCC3 | 10.1016/0960-894X(95)00483-A | ||
| 52948792 | 24492 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| CHEMBL1258596 | 24492 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | ||
| 54669764 | 72266 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830491 | 72266 | 0 | None | - | 0 | Human | 7.0 | pKd | = | 7.0 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54757027 | 72265 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830490 | 72265 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54756928 | 72262 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830487 | 72262 | 0 | None | - | 0 | Human | 6.9 | pKd | = | 6.9 | Functional | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54756927 | 72261 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830486 | 72261 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 2303 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 4946 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 564 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 63 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 91536 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL27 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| CHEMBL452861 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| DB00571 | 9961 | 68 | None | -165 | 20 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | ||
| 54758320 | 72292 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830620 | 72292 | 0 | None | - | 0 | Human | 6.8 | pKd | = | 6.8 | Functional | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 123686 | 8762 | 51 | None | -12302 | 3 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 12581 | 8762 | 51 | None | -12302 | 3 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| CHEMBL11268 | 8762 | 51 | None | -12302 | 3 | Human | 5.7 | pKd | = | 5.7 | Functional | ChEMBL | 354 | 9 | 4 | 5 | 1.7 | C1=CC=C(C=C1)NC(=O)NCCNCC(COC2=CC=CC=C2C#N)O | 10.1021/jm400348g | ||
| 155774 | 10868 | 40 | None | -2041 | 3 | Human | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 2848 | 10868 | 40 | None | -2041 | 3 | Human | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 538 | 10868 | 40 | None | -2041 | 3 | Human | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| CHEMBL75753 | 10868 | 40 | None | -2041 | 3 | Human | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| DB13781 | 10868 | 40 | None | -2041 | 3 | Human | 4.7 | pKd | = | 4.7 | Functional | ChEMBL | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | 10.1021/jm400348g | ||
| 54757229 | 72289 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830617 | 72289 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 54758417 | 72260 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830485 | 72260 | 0 | None | - | 0 | Human | 7.6 | pKd | = | 7.6 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 56598832 | 95043 | 0 | None | -4365 | 3 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| CHEMBL2348218 | 95043 | 0 | None | -4365 | 3 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 527 | 16 | 5 | 7 | 3.3 | O=C(NCCNCC(O)COc1ccc(OCCOCCc2ccc(F)cc2)cc1)Nc1ccc(O)cc1 | 10.1021/jm400348g | ||
| 54758415 | 72293 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830621 | 72293 | 0 | None | - | 0 | Human | 6.5 | pKd | = | 6.5 | Functional | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | ||
| 54757129 | 72268 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830493 | 72268 | 0 | None | - | 0 | Human | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 2685 | 7677 | 21 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 541 | 7677 | 21 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| CHEMBL280822 | 7677 | 21 | None | - | 1 | Human | 5.3 | pKd | = | 5.3 | Functional | ChEMBL | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10.1021/jm400348g | ||
| 54757126 | 72267 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830492 | 72267 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 54757331 | 72291 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830619 | 72291 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 66653268 | 95026 | 0 | None | -3311 | 3 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| CHEMBL2348201 | 95026 | 0 | None | -3311 | 3 | Human | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | 491 | 14 | 4 | 6 | 3.8 | O=C(NCCNCC(O)COc1ccc(OCCOC2CCCC2)cc1)Nc1cccc(Cl)c1 | 10.1021/jm400348g | ||
| 54757232 | 72290 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| CHEMBL1830618 | 72290 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | ||
| 54756929 | 72263 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830488 | 72263 | 0 | None | - | 0 | Human | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 137 | 7158 | 52 | None | - | 8 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 2119 | 7158 | 52 | None | - | 8 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 563 | 7158 | 52 | None | - | 8 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 66368 | 7158 | 52 | None | - | 8 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| CHEMBL266195 | 7158 | 52 | None | - | 8 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| DB00866 | 7158 | 52 | None | - | 8 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | ||
| 54757026 | 72264 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| CHEMBL1830489 | 72264 | 0 | None | - | 0 | Human | 7.1 | pKd | = | 7.1 | Functional | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | ||
| 2419 | 10236 | 84 | None | -416 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 5152 | 10236 | 84 | None | -416 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 559 | 10236 | 84 | None | -416 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| CHEMBL1263 | 10236 | 84 | None | -416 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| DB00938 | 10236 | 84 | None | -416 | 14 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | ||
| 10184665 | 10763 | 51 | None | -40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 4799 | 10763 | 51 | None | -40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 7353 | 10763 | 51 | None | -40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| CHEMBL1198857 | 10763 | 51 | None | -40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| DB09082 | 10763 | 51 | None | -40 | 10 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | None | ||
| 688570 | 193640 | 24 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | None | ||
| CHEMBL489553 | 193640 | 24 | None | 1 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 287 | 6 | 4 | 4 | 2.4 | C[C@@H](NCCc1ccc(O)cc1)[C@@H](O)c1ccc(O)cc1 | None | ||
| 10100 | 10759 | 30 | None | -23 | 4 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 44472635 | 10759 | 30 | None | -23 | 4 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 5311 | 10759 | 30 | None | -23 | 4 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| CHEMBL2107826 | 10759 | 30 | None | -23 | 4 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| DB14895 | 10759 | 30 | None | -23 | 4 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 443372 | 17006 | 26 | None | -2 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL1160723 | 17006 | 26 | None | -2 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| CHEMBL2062275 | 17006 | 26 | None | -2 | 9 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | None | ||
| 3083544 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL1200811 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL1363 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL1951071 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL605993 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| 3083544 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL1200811 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL1363 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL1951071 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| CHEMBL605993 | 33582 | 51 | None | -16 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | ||
| 4382 | 9317 | 0 | None | 1 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | None | ||
| 7445 | 9317 | 0 | None | 1 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | None | ||
| 9865528 | 9317 | 0 | None | 1 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | None | ||
| CHEMBL2095212 | 9317 | 0 | None | 1 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | None | ||
| DB08893 | 9317 | 0 | None | 1 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | None | ||
| 10100 | 10759 | 30 | None | -4 | 4 | Dog | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 44472635 | 10759 | 30 | None | -4 | 4 | Dog | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 5311 | 10759 | 30 | None | -4 | 4 | Dog | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| CHEMBL2107826 | 10759 | 30 | None | -4 | 4 | Dog | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| DB14895 | 10759 | 30 | None | -4 | 4 | Dog | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | ||
| 10100 | 10759 | 30 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 44472635 | 10759 | 30 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 5311 | 10759 | 30 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| CHEMBL2107826 | 10759 | 30 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| DB14895 | 10759 | 30 | None | 1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 10100 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 44472635 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 5311 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| CHEMBL2107826 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| DB14895 | 10759 | 30 | None | -1 | 4 | Rhesus macaque | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | None | ||
| 3931 | 9028 | 48 | None | 691 | 4 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 20590599 | ||
| 9829836 | 9028 | 48 | None | 691 | 4 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 20590599 | ||
| CHEMBL12998 | 9028 | 48 | None | 691 | 4 | Human | 10.1 | pEC50 | = | 10.1 | Functional | Guide to Pharmacology | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 20590599 | ||
| 2176 | 9901 | 68 | None | -91 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | ||
| 4828 | 9901 | 68 | None | -91 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | ||
| 91 | 9901 | 68 | None | -91 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | ||
| CHEMBL500 | 9901 | 68 | None | -91 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | ||
| DB00960 | 9901 | 68 | None | -91 | 8 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | ||
| 1028 | 7079 | 71 | None | -4 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 139148732 | 7079 | 71 | None | -4 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 479 | 7079 | 71 | None | -4 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 5816 | 7079 | 71 | None | -4 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| CHEMBL679 | 7079 | 71 | None | -4 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| DB00668 | 7079 | 71 | None | -4 | 19 | Human | 6.5 | pEC50 | = | 6.5 | Functional | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 12578 | 7723 | 61 | None | -186 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
| 2755 | 7723 | 61 | None | -186 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
| CHEMBL1374751 | 7723 | 61 | None | -186 | 3 | Human | 7.0 | pEC50 | = | 7 | Functional | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | ||
| 10100 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| 44472635 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| 5311 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| CHEMBL2107826 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| DB14895 | 10759 | 30 | None | -23 | 4 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| 3468 | 10281 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 511 | 12 | 4 | 6 | 4.2 | O[C@H](COc1ccc(cc1)O)CNC1(CCCC1)Cc1ccc(cc1)OCP(=O)(c1ccccc1)O | 11959793 | ||
| 9958026 | 10281 | 0 | None | - | 1 | Mouse | 7.1 | pEC50 | = | 7.1 | Functional | Guide to Pharmacology | 511 | 12 | 4 | 6 | 4.2 | O[C@H](COc1ccc(cc1)O)CNC1(CCCC1)Cc1ccc(cc1)OCP(=O)(c1ccccc1)O | 11959793 | ||
| 1960 | 9632 | 67 | None | -1 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 439260 | 9632 | 67 | None | -1 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 505 | 9632 | 67 | None | -1 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| CHEMBL1437 | 9632 | 67 | None | -1 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| DB00368 | 9632 | 67 | None | -1 | 19 | Human | 7.2 | pEC50 | = | 7.2 | Functional | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | ||
| 1499 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| 3779 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| 536 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| CHEMBL434 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| DB01064 | 8872 | 47 | None | -190 | 38 | Human | 7.4 | pEC50 | = | 7.4 | Functional | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | ||
| 567 | 7512 | 16 | None | -2 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
| 9841972 | 7512 | 16 | None | -2 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
| CHEMBL284782 | 7512 | 16 | None | -2 | 7 | Human | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 20590599 | ||
| 4382 | 9317 | 0 | None | -1 | 6 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 7445 | 9317 | 0 | None | -1 | 6 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 9865528 | 9317 | 0 | None | -1 | 6 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| CHEMBL2095212 | 9317 | 0 | None | -1 | 6 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| DB08893 | 9317 | 0 | None | -1 | 6 | Mouse | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 1155 | 8410 | 53 | None | 1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| 3343 | 8410 | 53 | None | 1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| 557 | 8410 | 53 | None | 1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| CHEMBL32800 | 8410 | 53 | None | 1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| DB01288 | 8410 | 53 | None | 1 | 11 | Human | 7.6 | pEC50 | = | 7.6 | Functional | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | ||
| 4382 | 9317 | 0 | None | -3 | 6 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 7445 | 9317 | 0 | None | -3 | 6 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 9865528 | 9317 | 0 | None | -3 | 6 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| CHEMBL2095212 | 9317 | 0 | None | -3 | 6 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| DB08893 | 9317 | 0 | None | -3 | 6 | Rat | 7.7 | pEC50 | = | 7.7 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 4382 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 4382 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 23239087 | ||
| 4382 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 4382 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 35693456 | ||
| 7445 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 7445 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 23239087 | ||
| 7445 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 7445 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 35693456 | ||
| 9865528 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| 9865528 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 23239087 | ||
| 9865528 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 9865528 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 35693456 | ||
| CHEMBL2095212 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| CHEMBL2095212 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 23239087 | ||
| CHEMBL2095212 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| CHEMBL2095212 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 35693456 | ||
| DB08893 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 17293563 | ||
| DB08893 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 23239087 | ||
| DB08893 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| DB08893 | 9317 | 0 | None | 1 | 6 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 35693456 | ||
| 10028830 | 9026 | 40 | None | 323 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | ||
| 3932 | 9026 | 40 | None | 323 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | ||
| CHEMBL4238084 | 9026 | 40 | None | 323 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | ||
| 9512 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| 9512 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 23263450 | ||
| 9512 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 26808167 | ||
| 9887812 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| 9887812 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 23263450 | ||
| 9887812 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 26808167 | ||
| CHEMBL208427 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| CHEMBL208427 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 23263450 | ||
| CHEMBL208427 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 26808167 | ||
| DB06190 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 16640337 | ||
| DB06190 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 23263450 | ||
| DB06190 | 10408 | 42 | None | 380 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | Guide to Pharmacology | 410 | 9 | 4 | 4 | 4.4 | Clc1cccc(c1)[C@H](CNCCNc1cccc(c1)c1cccc(c1)C(=O)O)O | 26808167 | ||
| 4382 | 9317 | 0 | None | -1 | 6 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 7445 | 9317 | 0 | None | -1 | 6 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 9865528 | 9317 | 0 | None | -1 | 6 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| CHEMBL2095212 | 9317 | 0 | None | -1 | 6 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| DB08893 | 9317 | 0 | None | -1 | 6 | Mouse | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 396 | 9 | 4 | 6 | 2.8 | O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O | 32813332 | ||
| 487 | 7580 | 71 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | ||
| 569 | 7580 | 71 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | ||
| 71739 | 7580 | 71 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | ||
| CHEMBL324665 | 7580 | 71 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | ||
| 16118894 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 9873496 | ||
| 3467 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 9873496 | ||
| CHEMBL276257 | 9023 | 5 | None | 75 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | Guide to Pharmacology | 568 | 11 | 4 | 6 | 3.4 | O[C@H](COc1ccc(cc1)O)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)I | 9873496 | ||
| 10100 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| 10100 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 27965369 | ||
| 10100 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 35693456 | ||
| 44472635 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| 44472635 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 27965369 | ||
| 44472635 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 35693456 | ||
| 5311 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| 5311 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 27965369 | ||
| 5311 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 35693456 | ||
| CHEMBL2107826 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| CHEMBL2107826 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 27965369 | ||
| CHEMBL2107826 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 35693456 | ||
| DB14895 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 26709102 | ||
| DB14895 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 27965369 | ||
| DB14895 | 10759 | 30 | None | 1 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | Guide to Pharmacology | 444 | 6 | 3 | 6 | 2.8 | O=C([C@@H]1CCc2n1c(=O)ccn2)Nc1ccc(cc1)C[C@@H]1CC[C@@H](N1)[C@@H](c1ccccc1)O | 35693456 | ||
| 146015362 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 16601951 | ||
| 146015362 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | ||
| 3462 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 16601951 | ||
| 3462 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | ||
| 5486546 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 16601951 | ||
| 5486546 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | ||
| CHEMBL1204876 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 16601951 | ||
| CHEMBL1204876 | 7734 | 10 | None | 15 | 5 | Mouse | 9.3 | pEC50 | = | 9.3 | Functional | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | ||
| 11962616 | 7009 | 14 | None | -3388 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| 9326 | 7009 | 14 | None | -3388 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| CHEMBL3039530 | 7009 | 14 | None | -3388 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| DB12100 | 7009 | 14 | None | -3388 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | Guide to Pharmacology | 460 | 13 | 4 | 5 | 4.2 | O=c1ccc2c([nH]1)c(O)ccc2[C@H](CNCCCCCCOCC(c1ccccc1)(F)F)O | 22588259 | ||
| 10028830 | 9026 | 40 | None | 323 | 3 | Human | 9.4 | pKB | = | 9.4 | Functional | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 18684840 | ||
| 3932 | 9026 | 40 | None | 323 | 3 | Human | 9.4 | pKB | = | 9.4 | Functional | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 18684840 | ||
| CHEMBL4238084 | 9026 | 40 | None | 323 | 3 | Human | 9.4 | pKB | = | 9.4 | Functional | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 18684840 | ||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 3333 | 46942 | 111 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1480 | 46942 | 111 | None | - | 1 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 383 | 4 | 1 | 5 | 4.0 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 1353 | 8692 | 93 | None | - | 85 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 3559 | 8692 | 93 | None | - | 85 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 86 | 8692 | 93 | None | - | 85 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL54 | 8692 | 93 | None | - | 85 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB00502 | 8692 | 93 | None | - | 85 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 375 | 6 | 1 | 3 | 4.4 | Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)(O)c1ccc(cc1)Cl | 10.1038/s41467-023-40064-9 | |||
| 53232 | 195404 | 95 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL503 | 195404 | 95 | None | - | 2 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 404 | 6 | 1 | 5 | 4.2 | CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 2351 | 11072 | 49 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1008 | 11072 | 49 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1257078 | 11072 | 49 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 366 | 10 | 0 | 3 | 4.8 | CC(C)COCC(CN(Cc1ccccc1)c1ccccc1)N1CCCC1 | 10.1038/s41467-023-40064-9 | |||
| 2585 | 7590 | 103 | None | -16 | 22 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 522 | 7590 | 103 | None | -16 | 22 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 551 | 7590 | 103 | None | -16 | 22 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL723 | 7590 | 103 | None | -16 | 22 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| DB01136 | 7590 | 103 | None | -16 | 22 | Human | 7.9 | pAC50 | = | 7.9 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10.1038/s41467-023-40064-9 | |||
| 445643 | 104164 | 69 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL269732 | 104164 | 69 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 803 | 7 | 3 | 12 | 4.6 | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC | 10.1038/s41467-023-40064-9 | |||
| 2274 | 9947 | 58 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 4917 | 9947 | 58 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 7279 | 9947 | 58 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL728 | 9947 | 58 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| DB00433 | 9947 | 58 | None | - | 31 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 373 | 4 | 0 | 4 | 4.6 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2 | 10.1038/s41467-023-40064-9 | |||
| 392622 | 63086 | 95 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL163 | 63086 | 95 | None | - | 4 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 720 | 17 | 4 | 9 | 5.9 | CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 | 10.1038/s41467-023-40064-9 | |||
| 11626560 | 207716 | 94 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL601719 | 207716 | 94 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 449 | 5 | 2 | 6 | 5.0 | C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl | 10.1038/s41467-023-40064-9 | |||
| 3339 | 210420 | 117 | None | -10 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL672 | 210420 | 117 | None | -10 | 5 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2405 | 7452 | 76 | None | -32 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 380 | 7452 | 76 | None | -32 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 7129 | 7452 | 76 | None | -32 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL645 | 7452 | 76 | None | -32 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| DB00612 | 7452 | 76 | None | -32 | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 4507 | 187457 | 101 | None | - | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 360 | 5 | 1 | 7 | 2.6 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL475534 | 187457 | 101 | None | - | 4 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 360 | 5 | 1 | 7 | 2.6 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1 | 10.1038/s41467-023-40064-9 | |||
| 100 | 10577 | 58 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| 2637 | 10577 | 58 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| 5452 | 10577 | 58 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL479 | 10577 | 58 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00679 | 10577 | 58 | None | - | 54 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 370 | 4 | 0 | 4 | 5.9 | CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1 | 10.1038/s41467-023-40064-9 | |||
| 3157 | 8252 | 71 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 7170 | 8252 | 71 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 954 | 8252 | 71 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL707 | 8252 | 71 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB00590 | 8252 | 71 | None | - | 12 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 451 | 4 | 2 | 8 | 1.5 | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 9687 | 192114 | 25 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 469 | 7 | 2 | 11 | 1.7 | CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1522836 | 192114 | 25 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 469 | 7 | 2 | 11 | 1.7 | CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC | 10.1038/s41467-023-40064-9 | |||
| CHEMBL485980 | 192114 | 25 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 469 | 7 | 2 | 11 | 1.7 | CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]2COP(=O)(O)O[C@H]2[C@H]1OC(=O)CCC | 10.1038/s41467-023-40064-9 | |||
| 5328940 | 106992 | 107 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL288441 | 106992 | 107 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | |||
| 5472 | 212597 | 75 | None | - | 3 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1717 | 212597 | 75 | None | - | 3 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL833 | 212597 | 75 | None | - | 3 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 263 | 2 | 0 | 2 | 4.0 | Clc1ccccc1CN1CCc2sccc2C1 | 10.1038/s41467-023-40064-9 | |||
| 31101 | 7516 | 40 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 35 | 7516 | 40 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 403 | 7516 | 40 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL493 | 7516 | 40 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| DB01200 | 7516 | 40 | None | - | 35 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 653 | 5 | 3 | 6 | 3.2 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C | 10.1038/s41467-023-40064-9 | |||
| 4054 | 212280 | 72 | None | - | 36 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1699 | 212280 | 72 | None | - | 36 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL807 | 212280 | 72 | None | - | 36 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | 10.1038/s41467-023-40064-9 | |||
| 2105 | 9828 | 37 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | |||
| 47811 | 9828 | 37 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | |||
| 48 | 9828 | 37 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL531 | 9828 | 37 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | |||
| DB01186 | 9828 | 37 | None | - | 32 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 314 | 4 | 1 | 2 | 4.3 | CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3 | 10.1038/s41467-023-40064-9 | |||
| 1212 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 204 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 3372 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| CHEMBL726 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| DB00623 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | |||
| 2726 | 7706 | 68 | None | - | 72 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 621 | 7706 | 68 | None | - | 72 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 83 | 7706 | 68 | None | - | 72 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL71 | 7706 | 68 | None | - | 72 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| DB00477 | 7706 | 68 | None | - | 72 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 318 | 4 | 0 | 3 | 4.9 | CN(CCCN1c2ccccc2Sc2c1cc(Cl)cc2)C | 10.1038/s41467-023-40064-9 | |||
| 448537 | 167029 | 89 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL411 | 167029 | 89 | None | - | 25 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 268 | 4 | 2 | 2 | 4.8 | CC/C(=C(/CC)c1ccc(O)cc1)c1ccc(O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 5284616 | 168406 | 55 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL413 | 168406 | 55 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 914 | 6 | 3 | 13 | 6.2 | CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C | 10.1038/s41467-023-40064-9 | |||
| 176 | 7186 | 66 | None | -10 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2157 | 7186 | 66 | None | -10 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2566 | 7186 | 66 | None | -10 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL633 | 7186 | 66 | None | -10 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01118 | 7186 | 66 | None | -10 | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | |||
| 10531 | 8202 | 21 | None | - | 24 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| 121 | 8202 | 21 | None | - | 24 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| 888 | 8202 | 21 | None | - | 24 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1732 | 8202 | 21 | None | - | 24 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| DB00320 | 8202 | 21 | None | - | 24 | Human | 6.6 | pAC50 | = | 6.6 | Binding | ChEMBL | 583 | 4 | 3 | 6 | 2.1 | CN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O | 10.1038/s41467-023-40064-9 | |||
| 2162 | 48288 | 100 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1491 | 48288 | 100 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 408 | 8 | 2 | 7 | 2.3 | CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)C1c1ccccc1Cl | 10.1038/s41467-023-40064-9 | |||
| 44400012 | 212608 | 83 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 235 | 4 | 6 | 4 | -1.7 | NCCC(O)(P(=O)(O)O)P(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| 4674 | 212608 | 83 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 235 | 4 | 6 | 4 | -1.7 | NCCC(O)(P(=O)(O)O)P(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL834 | 212608 | 83 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 235 | 4 | 6 | 4 | -1.7 | NCCC(O)(P(=O)(O)O)P(=O)(O)O | 10.1038/s41467-023-40064-9 | |||
| 135398735 | 143746 | 32 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 136262914 | 143746 | 32 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL374478 | 143746 | 32 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | |||
| 5991 | 210698 | 72 | None | - | 5 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL691 | 210698 | 72 | None | - | 5 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 296 | 0 | 2 | 2 | 3.6 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C | 10.1038/s41467-023-40064-9 | |||
| 16220172 | 79818 | 95 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL2010601 | 79818 | 95 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 392 | 2 | 3 | 3 | 5.1 | CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O | 10.1038/s41467-023-40064-9 | |||
| 16362 | 9899 | 71 | None | - | 29 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 2172 | 9899 | 71 | None | - | 29 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 90 | 9899 | 71 | None | - | 29 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1423 | 9899 | 71 | None | - | 29 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| DB01100 | 9899 | 71 | None | - | 29 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | |||
| 54454 | 12030 | 88 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1064 | 12030 | 88 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 418 | 6 | 1 | 5 | 4.6 | CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 | 10.1038/s41467-023-40064-9 | |||
| 2662 | 18156 | 131 | None | 1 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL118 | 18156 | 131 | None | 1 | 30 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | 10.1038/s41467-023-40064-9 | |||
| 135409453 | 10545 | 41 | None | - | 2 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 226 | 10545 | 41 | None | - | 2 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| CHEMBL76370 | 10545 | 41 | None | - | 2 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | |||
| 1016 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2561 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 2733526 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 5384 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL83 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| DB00675 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | 10.1038/s41467-023-40064-9 | |||
| 242 | 7258 | 124 | None | - | 51 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 34 | 7258 | 124 | None | - | 51 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 60795 | 7258 | 124 | None | - | 51 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1112 | 7258 | 124 | None | - | 51 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01238 | 7258 | 124 | None | - | 51 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 447 | 7 | 1 | 4 | 4.9 | O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl | 10.1038/s41467-023-40064-9 | |||
| 3672 | 199312 | 136 | None | - | 27 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL521 | 199312 | 136 | None | - | 27 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 206 | 4 | 1 | 1 | 3.1 | CC(C)Cc1ccc(C(C)C(=O)O)cc1 | 10.1038/s41467-023-40064-9 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.2 | pAC50 | = | 6.2 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1038/s41467-023-40064-9 | |||
| 2600 | 10551 | 74 | None | - | 13 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| 2608 | 10551 | 74 | None | - | 13 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| 5405 | 10551 | 74 | None | - | 13 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL17157 | 10551 | 74 | None | - | 13 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| DB00342 | 10551 | 74 | None | - | 13 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | |||
| 3114 | 196706 | 71 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| CHEMBL517 | 196706 | 71 | None | - | 1 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 339 | 8 | 1 | 3 | 3.4 | CC(C)N(CCC(C(N)=O)(c1ccccc1)c1ccccn1)C(C)C | 10.1038/s41467-023-40064-9 | |||
| 1605 | 9121 | 117 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 3957 | 9121 | 117 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 7216 | 9121 | 117 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL998 | 9121 | 117 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| DB00455 | 9121 | 117 | None | - | 4 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 382 | 1 | 0 | 3 | 4.9 | CCOC(=O)N1CCC(=C2c3ccc(cc3CCc3c2nccc3)Cl)CC1 | 10.1038/s41467-023-40064-9 | |||
| 2812 | 11551 | 101 | None | -35 | 34 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL104 | 11551 | 101 | None | -35 | 34 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1038/s41467-023-40064-9 | |||
| 2351 | 10059 | 64 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 2820 | 10059 | 64 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 5035 | 10059 | 64 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| CHEMBL81 | 10059 | 64 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| DB00481 | 10059 | 64 | None | - | 21 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 473 | 7 | 2 | 6 | 6.1 | Oc1ccc2c(c1)sc(c2C(=O)c1ccc(cc1)OCCN1CCCCC1)c1ccc(cc1)O | 10.1038/s41467-023-40064-9 | |||
| 1890 | 9535 | 49 | None | - | 16 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 4449 | 9535 | 49 | None | - | 16 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 7247 | 9535 | 49 | None | - | 16 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| CHEMBL623 | 9535 | 49 | None | - | 16 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| DB01149 | 9535 | 49 | None | - | 16 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 469 | 10 | 0 | 7 | 3.6 | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl | 10.1038/s41467-023-40064-9 | |||
| 44303556 | 109094 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 388 | 9 | 4 | 4 | 3.2 | O=C(O)COc1cccc2cc(CCNC[C@H](O)c3cccc(Cl)c3)[nH]c12 | 10.1021/jm980521l | |||
| CHEMBL303537 | 109094 | 0 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 388 | 9 | 4 | 4 | 3.2 | O=C(O)COc1cccc2cc(CCNC[C@H](O)c3cccc(Cl)c3)[nH]c12 | 10.1021/jm980521l | |||
| 6916441 | 106103 | 1 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL282190 | 106103 | 1 | None | - | 0 | Human | 10.2 | pEC50 | = | 10.2 | Binding | ChEMBL | 402 | 9 | 4 | 4 | 3.5 | CC(Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| 45101537 | 202053 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm200371q | |||
| CHEMBL551272 | 202053 | 0 | None | - | 0 | Human | 9.8 | pEC50 | = | 9.8 | Binding | ChEMBL | 526 | 11 | 4 | 7 | 3.8 | CC(C)Oc1cc(-c2ccc(CCN[C@@H](C)[C@H](O)c3ccc(O)cc3)cc2)ccc1C(=O)NS(C)(=O)=O | 10.1021/jm200371q | |||
| 11432806 | 72971 | 0 | None | 12 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL184407 | 72971 | 0 | None | 12 | 3 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396715 | 74225 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL189081 | 74225 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 612 | 12 | 4 | 9 | 4.4 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccnc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396531 | 73609 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL186135 | 73609 | 0 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 647 | 18 | 4 | 8 | 6.4 | CCCCCCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 137649223 | 163901 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 552 | 8 | 2 | 8 | 3.8 | Cc1noc(-c2cccc(CN3CCN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)CC3)n2)n1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4074920 | 163901 | 0 | None | - | 0 | Human | 9.5 | pEC50 | = | 9.5 | Binding | ChEMBL | 552 | 8 | 2 | 8 | 3.8 | Cc1noc(-c2cccc(CN3CCN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)CC3)n2)n1 | 10.1016/j.bmcl.2016.12.033 | |||
| 9906822 | 168816 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL416012 | 168816 | 0 | None | - | 0 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 358 | 7 | 3 | 3 | 4.1 | COc1cccc2c(CC(C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 3931 | 9028 | 48 | None | - | 2 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm980521l | |||
| 9829836 | 9028 | 48 | None | - | 2 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm980521l | |||
| CHEMBL12998 | 9028 | 48 | None | - | 2 | Human | 9.4 | pEC50 | = | 9.4 | Binding | ChEMBL | 584 | 17 | 6 | 7 | 4.5 | CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)CCNC[C@@H](COc1ccc(cc1)O)O | 10.1021/jm980521l | |||
| 76333795 | 92090 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260985 | 92090 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 558 | 11 | 5 | 8 | 3.1 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396513 | 73497 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL185660 | 73497 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 577 | 12 | 4 | 8 | 4.4 | CC(C)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 76315638 | 92091 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260986 | 92091 | 0 | None | - | 0 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 543 | 11 | 4 | 7 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| 44396596 | 130078 | 0 | None | 1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL361505 | 130078 | 0 | None | 1 | 3 | Human | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 44396530 | 73862 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL187317 | 73862 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 591 | 14 | 4 | 8 | 4.8 | CCCCS(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 44396736 | 73642 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL186271 | 73642 | 0 | None | - | 0 | Human | 9.2 | pEC50 | = | 9.2 | Binding | ChEMBL | 617 | 12 | 4 | 9 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3cccs3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396577 | 73726 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL186676 | 73726 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 561 | 12 | 4 | 6 | 5.9 | C[C@H](Cc1c[nH]c2c(OCc3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396779 | 73835 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL187209 | 73835 | 0 | None | - | 0 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 611 | 12 | 4 | 8 | 5.1 | C[C@H](Cc1c[nH]c2c(OS(=O)(=O)c3ccccc3)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396532 | 73530 | 0 | None | 1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL185836 | 73530 | 0 | None | 1 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 10258518 | 108728 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL301231 | 108728 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9.0 | Binding | ChEMBL | 633 | 17 | 3 | 8 | 6.8 | CCCCCCCCc1csc(N2CCc3cc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 76322965 | 92094 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260989 | 92094 | 0 | None | - | 0 | Human | 9.0 | pEC50 | = | 9 | Binding | ChEMBL | 511 | 9 | 3 | 7 | 4.5 | C[C@H](Cc1cn2c3c(cccc13)OCCC2)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 76315637 | 92089 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260984 | 92089 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 607 | 12 | 4 | 10 | 4.2 | CCOC(=O)S(=O)(=O)Oc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 44392457 | 172736 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL425161 | 172736 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 457 | 11 | 4 | 6 | 3.7 | C/C=C/CNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| 76319327 | 92101 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2261203 | 92101 | 0 | None | - | 0 | Human | 8.9 | pEC50 | = | 8.9 | Binding | ChEMBL | 584 | 14 | 4 | 7 | 4.5 | CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1007/s00044-009-9257-x | |||
| 137656598 | 166372 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 525 | 9 | 2 | 8 | 2.3 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4103112 | 166372 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 525 | 9 | 2 | 8 | 2.3 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| 137634334 | 163159 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 542 | 8 | 2 | 7 | 3.2 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ncn(CC(F)(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4066314 | 163159 | 0 | None | - | 0 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 542 | 8 | 2 | 7 | 3.2 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ncn(CC(F)(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| 44396568 | 74060 | 0 | None | 9 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL188196 | 74060 | 0 | None | 9 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1007/s00044-009-9257-x | |||
| 44396659 | 74138 | 0 | None | 6 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL188622 | 74138 | 0 | None | 6 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1021/acs.jmedchem.6b01197 | |||
| 137648464 | 164768 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 543 | 8 | 2 | 8 | 2.6 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4085173 | 164768 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 543 | 8 | 2 | 8 | 2.6 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| 44392575 | 71146 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL181300 | 71146 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 441 | 10 | 4 | 6 | 2.8 | C#CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| 44349379 | 25300 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127451 | 25300 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 462 | 12 | 5 | 8 | 2.6 | NC(=O)c1cccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44461468 | 112405 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL312364 | 112405 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 608 | 17 | 4 | 9 | 3.7 | CCCCCCCCn1c(=O)[nH]n(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 44461485 | 113720 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL314893 | 113720 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1ncn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 10112732 | 23584 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124668 | 23584 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 418 | 8 | 4 | 5 | 3.3 | N#CN/C(=N\c1cccc(F)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 10119061 | 24728 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL126055 | 24728 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1ccc(I)cc1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 10282871 | 23321 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL123745 | 23321 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3cc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44349237 | 170218 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL419787 | 170218 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 511 | 13 | 4 | 8 | 5.3 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(Oc2ccccc2)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 2419 | 10236 | 84 | None | -53 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| 5152 | 10236 | 84 | None | -53 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| 559 | 10236 | 84 | None | -53 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| CHEMBL1263 | 10236 | 84 | None | -53 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| DB00938 | 10236 | 84 | None | -53 | 6 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | 10.1021/jm401532g | |||
| 45381932 | 129314 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 432 | 10 | 4 | 6 | 2.8 | CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL3601305 | 129314 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 432 | 10 | 4 | 6 | 2.8 | CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 44461706 | 212702 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL84117 | 212702 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 10416656 | 25381 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127656 | 25381 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3c(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 9917962 | 174735 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL431678 | 174735 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44461567 | 110951 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL309673 | 110951 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 579 | 15 | 3 | 7 | 4.1 | CCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 44461488 | 212154 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL79915 | 212154 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 606 | 13 | 3 | 7 | 3.0 | O=C(CCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O)N1CCCC1 | 10.1016/s0960-894x(03)00491-8 | |||
| 44349629 | 25296 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127422 | 25296 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1ccc2ccccc2c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 45381852 | 129300 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 418 | 10 | 4 | 6 | 2.2 | CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL3601204 | 129300 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 418 | 10 | 4 | 6 | 2.2 | CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 10347866 | 91782 | 1 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL22386 | 91782 | 1 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 563 | 15 | 3 | 8 | 4.3 | CCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 44461719 | 212643 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL83754 | 212643 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 641 | 14 | 3 | 6 | 5.0 | O=C1N(CCCC(F)(F)C(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(03)00491-8 | |||
| 44349356 | 123762 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL338748 | 123762 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(00)00669-7 | |||
| 44461490 | 112179 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 594 | 17 | 4 | 7 | 4.8 | CCCCCCCCN1NCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL311731 | 112179 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 594 | 17 | 4 | 7 | 4.8 | CCCCCCCCN1NCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 10160636 | 120275 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL332010 | 120275 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 443 | 9 | 5 | 6 | 2.2 | N#CN/C(=N\c1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(C(N)=O)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44308088 | 210376 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL66936 | 210376 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 76315639 | 92092 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260987 | 92092 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 507 | 10 | 4 | 6 | 4.0 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1ccc(C(=O)Nc2ccccc2)cc1 | 10.1007/s00044-009-9257-x | |||
| 51349173 | 163261 | 8 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 444 | 10 | 4 | 6 | 2.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4067502 | 163261 | 8 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 444 | 10 | 4 | 6 | 2.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCC4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 137640335 | 163767 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 481 | 11 | 4 | 7 | 2.1 | CCS(=O)(=O)Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4073098 | 163767 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 481 | 11 | 4 | 7 | 2.1 | CCS(=O)(=O)Nc1cccc([C@@H](O)CNCCc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1021/acs.jmedchem.6b01197 | |||
| 44461489 | 212131 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL79675 | 212131 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 591 | 13 | 3 | 6 | 4.3 | O=C1N(CCCC(F)(F)F)CCN1c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(03)00491-8 | |||
| 10099459 | 212475 | 1 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL82296 | 212475 | 1 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 565 | 15 | 3 | 6 | 4.6 | CCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 44349357 | 166688 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL410702 | 166688 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 469 | 11 | 4 | 7 | 4.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 9810596 | 23571 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124597 | 23571 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 734 | 11 | 4 | 9 | 8.0 | N#CN/C(=N\c1ccc2c(c1)CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc2cc(CCNC[C@H](O)c3cccnc3)ccc2c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 11318107 | 113165 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| CHEMBL3126386 | 113165 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| CHEMBL3139364 | 113165 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 505 | 16 | 4 | 7 | 3.4 | O=S1(=O)CCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| 15523859 | 212712 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL84190 | 212712 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 593 | 17 | 3 | 6 | 5.4 | CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 137653127 | 165679 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 552 | 8 | 2 | 8 | 3.8 | Cc1nnc(-c2cccc(CN3CCN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)CC3)n2)o1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4095361 | 165679 | 0 | None | - | 0 | Human | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | 552 | 8 | 2 | 8 | 3.8 | Cc1nnc(-c2cccc(CN3CCN(C(=O)c4ccc(C[C@@H]5CC[C@H]([C@H](O)c6ccccc6)N5)cc4)CC3)n2)o1 | 10.1016/j.bmcl.2016.12.033 | |||
| 44392542 | 72636 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL183552 | 72636 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 543 | 11 | 4 | 6 | 5.5 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 | 10.1007/s00044-009-9257-x | |||
| 137643636 | 164960 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 524 | 9 | 2 | 7 | 2.9 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ncn(CC(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4087670 | 164960 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 524 | 9 | 2 | 7 | 2.9 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ncn(CC(F)F)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| 67972431 | 163770 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 3.4 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ccccn2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4073137 | 163770 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 470 | 7 | 2 | 5 | 3.4 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2ccccn2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| 19360456 | 195485 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 354 | 9 | 2 | 5 | 2.9 | COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1 | 10.1021/jm900364m | |||
| CHEMBL504479 | 195485 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 354 | 9 | 2 | 5 | 2.9 | COc1ccc(CC(C)(C)NCC(O)COc2ccccc2C#N)cc1 | 10.1021/jm900364m | |||
| 44186438 | 193125 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | |||
| CHEMBL487508 | 193125 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | |||
| 19360455 | 193854 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | |||
| CHEMBL491251 | 193854 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 397 | 9 | 2 | 4 | 4.4 | COc1ccc(CC(C)(C)NCC(O)COc2cccc(Cl)c2Cl)cc1 | 10.1021/jm900364m | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 10135864 | 129296 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 404 | 9 | 4 | 6 | 1.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL3601200 | 129296 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 404 | 9 | 4 | 6 | 1.9 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 44349378 | 25297 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL127428 | 25297 | 0 | None | - | 0 | Human | 7.7 | pEC50 | = | 7.7 | Binding | ChEMBL | 545 | 11 | 4 | 7 | 4.2 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(I)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 146015362 | 7734 | 10 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 3462 | 7734 | 10 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 5486546 | 7734 | 10 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| CHEMBL1204876 | 7734 | 10 | None | -8 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1007/s00044-009-9257-x | |||
| 11270071 | 105766 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL279931 | 105766 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| 3083544 | 33582 | 51 | None | -43 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL1200811 | 33582 | 51 | None | -43 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL1363 | 33582 | 51 | None | -43 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL1951071 | 33582 | 51 | None | -43 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL605993 | 33582 | 51 | None | -43 | 5 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | 10.1021/jm401532g | |||
| 10370605 | 113210 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
| CHEMBL3126385 | 113210 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
| CHEMBL3139615 | 113210 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.2 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCCC1 | 10.1021/jm401532g | |||
| 11318358 | 113209 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| CHEMBL3126387 | 113209 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| CHEMBL3139613 | 113209 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 519 | 16 | 4 | 7 | 3.8 | O=S1(=O)CCCc2ccc(CCCCOCCCCCCNC[C@H](O)c3ccc(O)c(CO)c3)cc21 | 10.1021/jm401532g | |||
| 10206782 | 23627 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124863 | 23627 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 492 | 10 | 4 | 6 | 4.9 | N#CN/C(=N\c1cccc(Oc2ccccc2)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44461718 | 212642 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL83753 | 212642 | 0 | None | - | 0 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 591 | 17 | 3 | 8 | 5.1 | CCCCCCCCn1ccn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 10437614 | 107719 | 12 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL294042 | 107719 | 12 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 553 | 11 | 3 | 6 | 3.1 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccc(I)cc1 | 10.1007/s00044-009-9257-x | |||
| 45380471 | 165139 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 466 | 10 | 4 | 6 | 3.4 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4089669 | 165139 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 466 | 10 | 4 | 6 | 3.4 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)c4ccccc4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 9826916 | 209411 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 491 | 11 | 5 | 8 | 2.9 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | 10.1021/jm980521l | |||
| CHEMBL61275 | 209411 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 491 | 11 | 5 | 8 | 2.9 | CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(O)nc12 | 10.1021/jm980521l | |||
| 9820697 | 209505 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 370 | 8 | 4 | 7 | 1.6 | Cn1c(C(=O)O)cc2cc(OCCNC[C@H](O)c3ccc(N)nc3)ccc21 | 10.1021/jm980521l | |||
| CHEMBL61817 | 209505 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 370 | 8 | 4 | 7 | 1.6 | Cn1c(C(=O)O)cc2cc(OCCNC[C@H](O)c3ccc(N)nc3)ccc21 | 10.1021/jm980521l | |||
| 44349323 | 23568 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124584 | 23568 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 437 | 11 | 4 | 7 | 3.7 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cccc(F)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 68155065 | 165049 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 458 | 10 | 4 | 6 | 3.3 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCCC4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4088750 | 165049 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 458 | 10 | 4 | 6 | 3.3 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CCCC4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 10482960 | 113166 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
| CHEMBL3126383 | 113166 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
| CHEMBL3139365 | 113166 | 0 | None | - | 0 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 561 | 18 | 4 | 7 | 5.1 | Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(S(=O)(=O)C2CCCC2)c1 | 10.1021/jm401532g | |||
| 44349367 | 23693 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL125246 | 23693 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 487 | 11 | 4 | 7 | 4.9 | O=[N+]([O-])/C=C(\Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)Nc1cc(Cl)cc(Cl)c1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44392558 | 72029 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL182770 | 72029 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 471 | 11 | 4 | 6 | 4.1 | CC(C)=CCNc1cccc([C@@H](O)CN[C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1 | 10.1007/s00044-009-9257-x | |||
| 443372 | 17006 | 26 | None | - | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
| CHEMBL1160723 | 17006 | 26 | None | - | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
| CHEMBL2062275 | 17006 | 26 | None | - | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(C)NC[C@H](O)c1ccc(O)c(O)c1 | 10.1021/jm401532g | |||
| 10347461 | 113057 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
| CHEMBL3126384 | 113057 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
| CHEMBL3139025 | 113057 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1)C1CCCC1 | 10.1021/jm401532g | |||
| 10053159 | 113058 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
| CHEMBL3124955 | 113058 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
| CHEMBL3139033 | 113058 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 545 | 18 | 4 | 7 | 4.6 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CC=CC1 | 10.1021/jm401532g | |||
| 76329060 | 113213 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL3126381 | 113213 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
| CHEMBL3139685 | 113213 | 0 | None | - | 0 | Human | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 493 | 17 | 4 | 7 | 3.5 | CS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 | 10.1021/jm401532g | |||
| 76315640 | 92093 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | |||
| CHEMBL2260988 | 92093 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 575 | 12 | 3 | 7 | 5.8 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 | 10.1007/s00044-009-9257-x | |||
| 44461705 | 212634 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL83698 | 212634 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 607 | 17 | 3 | 7 | 4.9 | CCCCCCCCN1C(=O)CN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 10138809 | 175864 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL439794 | 175864 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 450 | 8 | 4 | 5 | 4.3 | N#CN/C(=N\c1cccc2ccccc12)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 51347282 | 164376 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 430 | 10 | 4 | 6 | 2.5 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4080868 | 164376 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 430 | 10 | 4 | 6 | 2.5 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 137631487 | 163061 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 489 | 8 | 2 | 8 | 2.0 | CCn1nnc(CN2CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)n1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4065251 | 163061 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 489 | 8 | 2 | 8 | 2.0 | CCn1nnc(CN2CCN(C(=O)c3ccc(C[C@@H]4CC[C@H]([C@H](O)c5ccccc5)N4)cc3)CC2)n1 | 10.1016/j.bmcl.2016.12.033 | |||
| 137655838 | 165450 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 515 | 9 | 2 | 8 | 2.4 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC3CC3)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| CHEMBL4092912 | 165450 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 515 | 9 | 2 | 8 | 2.4 | O=C(c1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)N1CCN(Cc2nnn(CC3CC3)n2)CC1 | 10.1016/j.bmcl.2016.12.033 | |||
| 44349588 | 123740 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL338664 | 123740 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 628 | 16 | 4 | 7 | 8.0 | CCCCCCCCc1csc(N2CCc3cc(N/C(S)=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)ccc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 9927453 | 103462 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL26393 | 103462 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 328 | 6 | 3 | 2 | 4.1 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(Cl)c1 | 10.1007/s00044-009-9257-x | |||
| 44461496 | 110944 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 594 | 17 | 4 | 7 | 4.8 | CCCCCCCCN1CNN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL309628 | 110944 | 0 | None | - | 0 | Human | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | 594 | 17 | 4 | 7 | 4.8 | CCCCCCCCN1CNN(c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)C1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 45381932 | 129314 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 432 | 10 | 4 | 6 | 2.8 | CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | |||
| CHEMBL3601305 | 129314 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 432 | 10 | 4 | 6 | 2.8 | CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 | 10.1021/acs.jmedchem.5b00638 | |||
| 10101116 | 21304 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1cccc2c1CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL120238 | 21304 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 684 | 11 | 4 | 9 | 6.8 | N#CN/C(=N\c1cccc2c1CCN2c1nc(-c2ccc(OC(F)(F)F)cc2)cs1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44349646 | 23641 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL124929 | 23641 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 636 | 16 | 4 | 8 | 7.2 | CCCCCCCCc1csc(N2CCc3ccc(N/C(=N/c4ccc(CCNC[C@H](O)c5cccnc5)cc4)NC#N)cc32)n1 | 10.1016/s0960-894x(00)00669-7 | |||
| 9871525 | 23683 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL125168 | 23683 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 526 | 8 | 4 | 5 | 3.7 | N#CN/C(=N\c1cccc(I)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44461486 | 212142 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL79806 | 212142 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 564 | 15 | 3 | 9 | 3.7 | CCCCCCn1cnn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 9933039 | 169824 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1021/jm980521l | |||
| CHEMBL417613 | 169824 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 442 | 11 | 4 | 6 | 2.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1 | 10.1021/jm980521l | |||
| 9915238 | 204945 | 2 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1021/jm980521l | |||
| CHEMBL57486 | 204945 | 2 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 539 | 15 | 5 | 6 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1021/jm980521l | |||
| 137657762 | 166467 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 432 | 11 | 4 | 6 | 2.7 | CCCS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4104183 | 166467 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 432 | 11 | 4 | 6 | 2.7 | CCCS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.6b01197 | |||
| 9908924 | 148433 | 0 | None | 2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm980521l | |||
| CHEMBL38538 | 148433 | 0 | None | 2 | 3 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1021/jm980521l | |||
| 44461716 | 212091 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL79363 | 212091 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 605 | 17 | 3 | 8 | 5.4 | CCCCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 45280021 | 129316 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 444 | 10 | 4 | 6 | 2.9 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CCC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL3601307 | 129316 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 444 | 10 | 4 | 6 | 2.9 | CS(=O)(=O)Nc1cccc([C@@H](O)CNCCOc2ccc3c(C4CCC4)n[nH]c3c2)c1 | 10.1021/acs.jmedchem.6b01197 | |||
| 44583033 | 192309 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | |||
| CHEMBL486278 | 192309 | 0 | None | - | 0 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 385 | 9 | 4 | 5 | 2.2 | COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1 | 10.1021/jm900364m | |||
| 45380469 | 166537 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 432 | 10 | 4 | 6 | 2.7 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C(C)C)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL4105097 | 166537 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 432 | 10 | 4 | 6 | 2.7 | Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(=O)(=O)C(C)C)c3)ccc12 | 10.1021/acs.jmedchem.6b01197 | |||
| 10184665 | 10763 | 51 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| 4799 | 10763 | 51 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| 7353 | 10763 | 51 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| CHEMBL1198857 | 10763 | 51 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| DB09082 | 10763 | 51 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 485 | 16 | 4 | 6 | 4.6 | OCc1cc(ccc1O)[C@H](CNCCCCCCOCCOCc1c(Cl)cccc1Cl)O | 10.1021/jm401532g | |||
| 10076176 | 113212 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
| CHEMBL3126382 | 113212 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
| CHEMBL3139683 | 113212 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 547 | 18 | 4 | 7 | 4.8 | O=S(=O)(c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)C1CCCC1 | 10.1021/jm401532g | |||
| 44461717 | 112457 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| CHEMBL312546 | 112457 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 577 | 15 | 3 | 8 | 4.6 | CCCCCCn1c(C)cn(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)c1=O | 10.1016/s0960-894x(03)00491-8 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b01197 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b01197 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b01197 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b01197 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/acs.jmedchem.6b01197 | |||
| 10205362 | 123732 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| CHEMBL338618 | 123732 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 468 | 8 | 4 | 5 | 4.4 | N#CN/C(=N\c1cc(Cl)cc(Cl)c1)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 | 10.1016/s0960-894x(00)00669-7 | |||
| 44589400 | 201359 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | |||
| CHEMBL530556 | 201359 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 446 | 11 | 2 | 5 | 4.2 | COc1ccc(CCNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 | 10.1016/j.bmc.2008.11.030 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 2662 | 18156 | 131 | None | 1 | 30 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | nan | |||
| CHEMBL118 | 18156 | 131 | None | 1 | 30 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | nan | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 28417 | 46813 | 49 | None | -2 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| CHEMBL1479 | 46813 | 49 | None | -2 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 44589401 | 193526 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 475 | 8 | 1 | 5 | 4.3 | OC(COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2008.11.030 | |||
| CHEMBL488793 | 193526 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 475 | 8 | 1 | 5 | 4.3 | OC(COc1ccc2c(c1)CCCN2Cc1ccccc1)CN1CCN(c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2008.11.030 | |||
| 2750 | 210840 | 76 | None | -7 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
| CHEMBL7002 | 210840 | 76 | None | -7 | 12 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
| 9904205 | 212629 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(02)00796-5 | |||
| CHEMBL83658 | 212629 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 294 | 2 | 0 | 3 | 3.4 | CN(C)CC1CC2c3ccccc3Cc3ccccc3N2O1 | 10.1016/s0960-894x(02)00796-5 | |||
| 11758172 | 107711 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL293994 | 107711 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 592 | 11 | 3 | 7 | 5.8 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 | 10.1021/jm000286i | |||
| 6518171 | 175075 | 55 | None | -14 | 8 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | |||
| CHEMBL434063 | 175075 | 55 | None | -14 | 8 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | |||
| 145990586 | 173622 | 0 | None | -23 | 11 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| CHEMBL4285281 | 173622 | 0 | None | -23 | 11 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| 134551 | 7146 | 27 | None | -79 | 21 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 7146 | 27 | None | -79 | 21 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 7146 | 27 | None | -79 | 21 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 7146 | 27 | None | -79 | 21 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 3191 | 109635 | 97 | None | -20 | 25 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 109635 | 97 | None | -20 | 25 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 1212 | 8443 | 50 | None | -630 | 65 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 8443 | 50 | None | -630 | 65 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 8443 | 50 | None | -630 | 65 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 8443 | 50 | None | -630 | 65 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 8443 | 50 | None | -630 | 65 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 10722793 | 120124 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL331744 | 120124 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 640 | 12 | 3 | 8 | 6.4 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| 107715 | 207724 | 22 | None | -281 | 20 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 207724 | 22 | None | -281 | 20 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 207724 | 22 | None | -281 | 20 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 3914 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 39468 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 431 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 570 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| CHEMBL1201237 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| CHEMBL293030 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| DB01210 | 7527 | 35 | None | -45 | 7 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 64143 | 205643 | 62 | None | -1 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| CHEMBL584 | 205643 | 62 | None | -1 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| 2585 | 7590 | 103 | None | -16 | 22 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 7590 | 103 | None | -16 | 22 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 7590 | 103 | None | -16 | 22 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 7590 | 103 | None | -16 | 22 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 7590 | 103 | None | -16 | 22 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 1752 | 52535 | 59 | None | -2 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL153062 | 52535 | 59 | None | -2 | 5 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| 176 | 7186 | 66 | None | -10 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2157 | 7186 | 66 | None | -10 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2566 | 7186 | 66 | None | -10 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| CHEMBL633 | 7186 | 66 | None | -10 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| DB01118 | 7186 | 66 | None | -10 | 31 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2291 | 9958 | 58 | None | -8 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2561 | 9958 | 58 | None | -8 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 4932 | 9958 | 58 | None | -8 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| CHEMBL631 | 9958 | 58 | None | -8 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| DB01182 | 9958 | 58 | None | -8 | 12 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2541 | 7573 | 120 | None | -4897 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| 587 | 7573 | 120 | None | -4897 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| 6907 | 7573 | 120 | None | -4897 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| CHEMBL1016 | 7573 | 120 | None | -4897 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| DB00796 | 7573 | 120 | None | -4897 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| DB13919 | 7573 | 120 | None | -4897 | 6 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| 1836 | 9370 | 59 | None | -61 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 3340 | 9370 | 59 | None | -61 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 5281040 | 9370 | 59 | None | -61 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| CHEMBL787 | 9370 | 59 | None | -61 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| DB00471 | 9370 | 59 | None | -61 | 15 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 33624 | 10593 | 34 | None | -87 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 4061 | 10593 | 34 | None | -87 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 565 | 10593 | 34 | None | -87 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| CHEMBL499 | 10593 | 34 | None | -87 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| DB00373 | 10593 | 34 | None | -87 | 9 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 44112 | 128068 | 48 | None | -7 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| CHEMBL357995 | 128068 | 48 | None | -7 | 7 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| 3038500 | 16112 | 12 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| CHEMBL111201 | 16112 | 12 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 624 | 11 | 3 | 7 | 6.6 | O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm000286i | |||
| 5353853 | 24758 | 47 | None | -25 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 9556529 | 24758 | 47 | None | -25 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1262 | 24758 | 47 | None | -25 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 127 | 9900 | 52 | None | -83 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 688095 | 9900 | 52 | None | -83 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL117405 | 9900 | 52 | None | -83 | 15 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 44190762 | 183659 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
| CHEMBL461571 | 183659 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 6.6 | Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C)C(=O)O)c1 | 10.1016/j.bmcl.2008.07.103 | |||
| 657255 | 205863 | 34 | None | -21 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| CHEMBL588119 | 205863 | 34 | None | -21 | 15 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| 46882804 | 12595 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 446 | 11 | 4 | 4 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | |||
| CHEMBL1079045 | 12595 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 446 | 11 | 4 | 4 | 4.5 | CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)N)cc2)cc1 | 10.1016/j.bmcl.2009.08.076 | |||
| 4189 | 213701 | 96 | None | -28 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1559 | 213701 | 96 | None | -28 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 213701 | 96 | None | -28 | 34 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 42609939 | 192339 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 4.2 | COc1ccc(CNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1OC | 10.1016/j.bmc.2008.11.030 | |||
| CHEMBL486327 | 192339 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 462 | 11 | 2 | 6 | 4.2 | COc1ccc(CNCC(O)COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1OC | 10.1016/j.bmc.2008.11.030 | |||
| 1548953 | 214458 | 27 | None | -19 | 17 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 214458 | 27 | None | -19 | 17 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 44589133 | 182623 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | |||
| CHEMBL458541 | 182623 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 354 | 8 | 2 | 4 | 3.4 | CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1 | 10.1016/j.bmc.2008.11.030 | |||
| 3198 | 212292 | 76 | None | -31 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1201049 | 212292 | 76 | None | -31 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 212292 | 76 | None | -31 | 34 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 2812 | 11551 | 101 | None | -35 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 11551 | 101 | None | -35 | 34 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 1016 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | |||
| 2247 | 7293 | 81 | None | -102 | 42 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 7293 | 81 | None | -102 | 42 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 7293 | 81 | None | -102 | 42 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 7293 | 81 | None | -102 | 42 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 7293 | 81 | None | -102 | 42 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 10381889 | 113846 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(02)00796-5 | |||
| CHEMBL315772 | 113846 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 328 | 2 | 0 | 3 | 4.1 | CN(C)CC1CC2c3ccccc3Cc3ccc(Cl)cc3N2O1 | 10.1016/s0960-894x(02)00796-5 | |||
| 2176 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 4828 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 91 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL500 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| DB00960 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 9873257 | 91720 | 16 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | |||
| CHEMBL22375 | 91720 | 16 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 591 | 14 | 3 | 10 | 3.5 | O=c1n(CCCC2CCCC2)nnn1-c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 | 10.1016/s0960-894x(99)00182-1 | |||
| 54757232 | 72290 | 0 | None | -123 | 3 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830618 | 72290 | 0 | None | -123 | 3 | Human | 7.0 | pKd | = | 7 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 54757026 | 72264 | 0 | None | -91 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830489 | 72264 | 0 | None | -91 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54756927 | 72261 | 0 | None | -301 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830486 | 72261 | 0 | None | -301 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 833 | 22 | 4 | 8 | 7.5 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 137 | 7158 | 52 | None | -74 | 12 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 2119 | 7158 | 52 | None | -74 | 12 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 563 | 7158 | 52 | None | -74 | 12 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 66368 | 7158 | 52 | None | -74 | 12 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| CHEMBL266195 | 7158 | 52 | None | -74 | 12 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| DB00866 | 7158 | 52 | None | -74 | 12 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | 10.1021/jm2008562 | |||
| 2176 | 9901 | 68 | None | -151 | 27 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| 4828 | 9901 | 68 | None | -151 | 27 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| 91 | 9901 | 68 | None | -151 | 27 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| CHEMBL500 | 9901 | 68 | None | -151 | 27 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| DB00960 | 9901 | 68 | None | -151 | 27 | Human | 6.8 | pKd | = | 6.8 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 10.1021/jm2008562 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10.1021/jm2008562 | |||
| 54757126 | 72267 | 0 | None | -109 | 3 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830492 | 72267 | 0 | None | -109 | 3 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54758320 | 72292 | 0 | None | -6 | 3 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830620 | 72292 | 0 | None | -6 | 3 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 794 | 20 | 5 | 8 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| 54758415 | 72293 | 0 | None | -37 | 3 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830621 | 72293 | 0 | None | -37 | 3 | Human | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 882 | 26 | 5 | 10 | 6.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12 | 10.1021/jm2008562 | |||
| 54758417 | 72260 | 0 | None | -44 | 3 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830485 | 72260 | 0 | None | -44 | 3 | Human | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54757229 | 72289 | 0 | None | -16 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830617 | 72289 | 0 | None | -16 | 3 | Human | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 54756928 | 72262 | 0 | None | -28 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830487 | 72262 | 0 | None | -28 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54757129 | 72268 | 0 | None | -23 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830493 | 72268 | 0 | None | -23 | 3 | Human | 7.2 | pKd | = | 7.2 | Binding | ChEMBL | 795 | 22 | 4 | 8 | 6.3 | C=CCc1ccccc1OC[C@@H](O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 54757027 | 72265 | 0 | None | -24 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830490 | 72265 | 0 | None | -24 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 889 | 26 | 4 | 8 | 9.1 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54669764 | 72266 | 0 | None | -218 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830491 | 72266 | 0 | None | -218 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 893 | 26 | 4 | 10 | 6.8 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 54757331 | 72291 | 0 | None | -77 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| CHEMBL1830619 | 72291 | 0 | None | -77 | 3 | Human | 7.1 | pKd | = | 7.1 | Binding | ChEMBL | 883 | 28 | 4 | 10 | 6.3 | C=CCc1ccccc1OCC(O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1 | 10.1021/jm2008562 | |||
| 54756929 | 72263 | 0 | None | -28 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| CHEMBL1830488 | 72263 | 0 | None | -28 | 3 | Human | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 805 | 20 | 4 | 8 | 6.7 | O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCNCC(O)COc1cccc2ccccc12 | 10.1021/jm2008562 | |||
| 24937389 | 24220 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257675 | 24220 | 0 | None | 4 | 3 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 520 | 10 | 3 | 9 | 4.2 | COCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 44396798 | 176171 | 0 | None | 18 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL442225 | 176171 | 0 | None | 18 | 3 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 542 | 10 | 5 | 7 | 3.2 | C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| 46889643 | 13422 | 0 | None | -37 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083368 | 13422 | 0 | None | -37 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]ccc23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 153287574 | 182026 | 0 | None | -13 | 10 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | |||
| CHEMBL4572167 | 182026 | 0 | None | -13 | 10 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 266 | 2 | 1 | 2 | 4.0 | CC[C@H]1c2ccccc2N(c2ccccc2)C[C@@]1(C)N | 10.1021/acsmedchemlett.9b00225 | |||
| 18662720 | 20101 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 477 | 9 | 4 | 7 | 2.1 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)N2CCCCC2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119210 | 20101 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 477 | 9 | 4 | 7 | 2.1 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)N2CCCCC2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44423643 | 148834 | 0 | None | -3548 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL387852 | 148834 | 0 | None | -3548 | 3 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 24321330 | 13608 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083996 | 13608 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 486 | 8 | 1 | 5 | 4.7 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 46889770 | 13493 | 0 | None | -63 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083670 | 13493 | 0 | None | -63 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 306 | 7 | 2 | 4 | 2.2 | CC(C)c1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 52948792 | 24492 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258596 | 24492 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44423646 | 92013 | 0 | None | -23 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL225775 | 92013 | 0 | None | -23 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 44333696 | 114121 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL317621 | 114121 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| 44344670 | 120594 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 570 | 10 | 5 | 9 | 3.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3sc(C)nc3c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL332529 | 120594 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 570 | 10 | 5 | 9 | 3.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3sc(C)nc3c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 52949488 | 24318 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258023 | 24318 | 0 | None | -1 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 52943362 | 24320 | 0 | None | -2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258025 | 24320 | 0 | None | -2 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 466 | 8 | 2 | 8 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44333696 | 114121 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL317621 | 114121 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 10162297 | 160686 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398322 | 160686 | 0 | None | 3 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| 44334123 | 11841 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 350 | 8 | 4 | 5 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNCCc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL105392 | 11841 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 350 | 8 | 4 | 5 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNCCc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 18435434 | 101172 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 9 | 4 | 6 | 1.5 | COc1ccc(CNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL250954 | 101172 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 380 | 9 | 4 | 6 | 1.5 | COc1ccc(CNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 44444170 | 160683 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398320 | 160683 | 0 | None | 2 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1cccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| 44333828 | 11228 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 380 | 6 | 4 | 5 | 2.4 | CS(=O)(=O)Nc1cc(C(O)CNC23CC4CC(CC(C4)C2)C3)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL101693 | 11228 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 380 | 6 | 4 | 5 | 2.4 | CS(=O)(=O)Nc1cc(C(O)CNC23CC4CC(CC(C4)C2)C3)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 46889767 | 13845 | 0 | None | -138 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085009 | 13845 | 0 | None | -138 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 400 | 9 | 1 | 5 | 2.4 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44287321 | 107242 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 407 | 10 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL290752 | 107242 | 0 | None | 1 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 407 | 10 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 52947562 | 24459 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258486 | 24459 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3sccc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 131801156 | 163934 | 14 | None | -51 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 2 | 6 | 4.4 | O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1 | 10.6019/CHEMBL5212743 | |||
| 132486799 | 163934 | 14 | None | -51 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 2 | 6 | 4.4 | O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL4075278 | 163934 | 14 | None | -51 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 417 | 5 | 2 | 6 | 4.4 | O=C1CCc2cc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)ccc2N1 | 10.6019/CHEMBL5212743 | |||
| 44344912 | 19922 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 528 | 11 | 6 | 8 | 2.4 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(CN)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119070 | 19922 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 528 | 11 | 6 | 8 | 2.4 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(CN)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 14823035 | 148341 | 2 | None | -354 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL38486 | 148341 | 2 | None | -354 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 377 | 9 | 2 | 5 | 3.1 | COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
| 4143663 | 13664 | 13 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084274 | 13664 | 13 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(OC)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44444195 | 101311 | 0 | None | 10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251764 | 101311 | 0 | None | 10 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccc(Cl)cc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 18662696 | 11383 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 2.7 | CNC(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102813 | 11383 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 483 | 10 | 5 | 6 | 2.7 | CNC(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| 2662 | 18156 | 131 | None | 1 | 30 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | nan | |||
| CHEMBL118 | 18156 | 131 | None | 1 | 30 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | nan | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 44333737 | 11775 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 7 | 4 | 5 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNCc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL105019 | 11775 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 336 | 7 | 4 | 5 | 1.6 | CS(=O)(=O)Nc1cc(C(O)CNCc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 28417 | 46813 | 49 | None | -2 | 12 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| CHEMBL1479 | 46813 | 49 | None | -2 | 12 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | nan | |||
| 19073121 | 10958 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 9 | 4 | 6 | 3.4 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccsc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL100138 | 10958 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 432 | 9 | 4 | 6 | 3.4 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccsc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 52948728 | 24219 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257674 | 24219 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 19073196 | 114635 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 9 | 4 | 5 | 4.0 | Cc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1C | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL319257 | 114635 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 454 | 9 | 4 | 5 | 4.0 | Cc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1C | 10.1016/s0960-894x(01)00628-x | |||
| 44444179 | 100917 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL249359 | 100917 | 0 | None | -3 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 2750 | 210840 | 76 | None | -7 | 12 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
| CHEMBL7002 | 210840 | 76 | None | -7 | 12 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 333 | 5 | 1 | 4 | 3.9 | CC1(COc2ccc(CC3SC(=O)NC3=O)cc2)CCCCC1 | nan | |||
| 24937016 | 24529 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258706 | 24529 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 400 | 7 | 3 | 8 | 2.4 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 24936488 | 24421 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258373 | 24421 | 0 | None | 1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 414 | 7 | 3 | 8 | 2.7 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 44344649 | 19988 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 12 | 5 | 8 | 4.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119120 | 19988 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 591 | 12 | 5 | 8 | 4.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44396596 | 130078 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL361505 | 130078 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 485 | 10 | 4 | 6 | 4.3 | COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.10.035 | |||
| 52944986 | 24385 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258257 | 24385 | 0 | None | 1 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F | 10.1016/j.bmcl.2010.08.039 | |||
| 71459884 | 85247 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 409 | 9 | 5 | 7 | 0.6 | COc1ccc([C@@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(N)=O)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL2111776 | 85247 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 409 | 9 | 5 | 7 | 0.6 | COc1ccc([C@@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(N)=O)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44344593 | 19335 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 529 | 11 | 5 | 8 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OC)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118675 | 19335 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 529 | 11 | 5 | 8 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OC)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 155534733 | 178746 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 269 | 3 | 3 | 8 | -1.7 | COC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1 | 10.1021/acs.jmedchem.8b01662 | |||
| CHEMBL4470730 | 178746 | 0 | None | 2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 269 | 3 | 3 | 8 | -1.7 | COC(=O)c1ncn([C@H]2[C@H](O)[C@H](O)[C@]3(CO)C[C@H]23)n1 | 10.1021/acs.jmedchem.8b01662 | |||
| 122188571 | 129954 | 0 | None | -1318 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 486 | 5 | 4 | 9 | 1.8 | CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acs.jmedchem.7b00141 | |||
| CHEMBL3612932 | 129954 | 0 | None | -1318 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 486 | 5 | 4 | 9 | 1.8 | CCCNc1nc(C#Cc2ccc(Cl)s2)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(C(=O)NC)C[C@H]12 | 10.1021/acs.jmedchem.7b00141 | |||
| 44333890 | 11749 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 485 | 10 | 6 | 7 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(=O)NO)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL104899 | 11749 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 485 | 10 | 6 | 7 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(=O)NO)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 9958539 | 109882 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | |||
| CHEMBL307647 | 109882 | 0 | None | -3 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 527 | 3 | 2 | 5 | 3.4 | COc1c(I)cc(CC2NCCc3nc(N)sc32)cc1I | 10.1021/jm990012z | |||
| 24936489 | 24290 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257914 | 24290 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 5187268 | 13349 | 12 | None | -21 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083053 | 13349 | 12 | None | -21 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 501 | 9 | 1 | 6 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 46889730 | 13901 | 0 | None | -87 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085270 | 13901 | 0 | None | -87 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 436 | 8 | 1 | 5 | 3.6 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 52941603 | 24071 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257204 | 24071 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 573 | 9 | 2 | 9 | 3.8 | O=C(c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1)N1CCOCC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44333757 | 11355 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 11 | 4 | 8 | 2.8 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)n1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102611 | 11355 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 487 | 11 | 4 | 8 | 2.8 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)n1 | 10.1016/s0960-894x(01)00629-1 | |||
| 10207209 | 176005 | 0 | None | 5 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL440961 | 176005 | 0 | None | 5 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 44333818 | 11514 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 440 | 10 | 4 | 5 | 3.2 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)Cc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL103743 | 11514 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 440 | 10 | 4 | 5 | 3.2 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)Cc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 44444159 | 101245 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 288 | 6 | 4 | 6 | -0.3 | CS(=O)(=O)Nc1cc(C(=O)C[C@@H](O)CN)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251363 | 101245 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 288 | 6 | 4 | 6 | -0.3 | CS(=O)(=O)Nc1cc(C(=O)C[C@@H](O)CN)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 52949934 | 24420 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258372 | 24420 | 0 | None | -1 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 398 | 7 | 2 | 7 | 3.0 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889727 | 13421 | 0 | None | -19 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083366 | 13421 | 0 | None | -19 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 514 | 10 | 1 | 6 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(OC)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44333719 | 114279 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 8 | 4 | 6 | 1.6 | COc1ccc(CNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL318579 | 114279 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 366 | 8 | 4 | 6 | 1.6 | COc1ccc(CNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 9872113 | 115560 | 11 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 544 | 12 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL320915 | 115560 | 11 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 544 | 12 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 44444168 | 101249 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)CCc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251370 | 101249 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)CCc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 19073202 | 11789 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 463 | 13 | 5 | 6 | 2.3 | CNC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL105095 | 11789 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 463 | 13 | 5 | 6 | 2.3 | CNC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 6518171 | 175075 | 55 | None | -14 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | |||
| CHEMBL434063 | 175075 | 55 | None | -14 | 8 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 495 | 12 | 2 | 6 | 4.9 | CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1ccccn1 | nan | |||
| 44344829 | 16890 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 10 | 5 | 7 | 3.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL115628 | 16890 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 533 | 10 | 5 | 7 | 3.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44344592 | 175102 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 529 | 11 | 5 | 8 | 3.0 | COc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL434223 | 175102 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 529 | 11 | 5 | 8 | 3.0 | COc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44396568 | 74060 | 0 | None | 9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL188196 | 74060 | 0 | None | 9 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 529 | 12 | 5 | 7 | 3.7 | C[C@H](Cc1c[nH]c2c(OCC(=O)O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| 24885648 | 23908 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1255596 | 23908 | 0 | None | -1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 460 | 8 | 2 | 7 | 4.4 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 52947443 | 24386 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258258 | 24386 | 0 | None | 1 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44444184 | 173652 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 574 | 15 | 4 | 9 | 3.1 | COc1ccc(CC(Cc2ccc(OC)c(OC)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL428584 | 173652 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 574 | 15 | 4 | 9 | 3.1 | COc1ccc(CC(Cc2ccc(OC)c(OC)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 44435200 | 156454 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL394755 | 156454 | 0 | None | -1 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 345 | 4 | 0 | 2 | 5.8 | O=C(CCCc1ccccc1)N1c2ccccc2Sc2ccccc21 | 10.1016/j.bmcl.2013.04.082 | |||
| 44444158 | 101244 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 490 | 10 | 4 | 7 | 3.3 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2F)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251362 | 101244 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 490 | 10 | 4 | 7 | 3.3 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2F)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 9837752 | 114959 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 246 | 4 | 4 | 5 | -0.2 | CS(=O)(=O)Nc1cc(C(O)CN)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL319632 | 114959 | 3 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 246 | 4 | 4 | 5 | -0.2 | CS(=O)(=O)Nc1cc(C(O)CN)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 12047933 | 161644 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 246 | 4 | 4 | 5 | -0.2 | CS(=O)(=O)Nc1cc([C@@H](O)CN)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL400645 | 161644 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 246 | 4 | 4 | 5 | -0.2 | CS(=O)(=O)Nc1cc([C@@H](O)CN)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 4080436 | 13491 | 3 | None | -1479 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083668 | 13491 | 3 | None | -1479 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 279 | 6 | 1 | 4 | 1.9 | CC(C)c1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44345049 | 103185 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 543 | 11 | 6 | 8 | 2.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C(=O)O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL261933 | 103185 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 543 | 11 | 6 | 8 | 2.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C(=O)O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 10.1021/jm990012z | |||
| 134551 | 7146 | 27 | None | -79 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 271 | 7146 | 27 | None | -79 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 885 | 7146 | 27 | None | -79 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| CHEMBL1403281 | 7146 | 27 | None | -79 | 21 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | nan | |||
| 44287268 | 165796 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL40966 | 165796 | 0 | None | 2 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 441 | 11 | 3 | 5 | 4.5 | CC(C)OP(=O)(O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44344650 | 20532 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 577 | 10 | 5 | 7 | 3.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119533 | 20532 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 577 | 10 | 5 | 7 | 3.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Br)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 10231679 | 101090 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL250553 | 101090 | 0 | None | 5 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 572 | 14 | 4 | 7 | 4.4 | CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 44344713 | 17013 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 11 | 5 | 7 | 3.5 | C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL116080 | 17013 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 535 | 11 | 5 | 7 | 3.5 | C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 3191 | 109635 | 97 | None | -20 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| CHEMBL305660 | 109635 | 97 | None | -20 | 25 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 469 | 9 | 0 | 3 | 7.2 | CC(C)(C)c1ccc(C(=O)CCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 | nan | |||
| 44287337 | 157937 | 0 | None | -17 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL39596 | 157937 | 0 | None | -17 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 378 | 9 | 4 | 5 | 2.5 | C[C@H](Cc1ccc(OCC(=O)NO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44286980 | 154671 | 0 | None | 3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 397 | 9 | 3 | 4 | 3.8 | C[C@H](Cc1ccc(OCP(C)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL39334 | 154671 | 0 | None | 3 | 2 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 397 | 9 | 3 | 4 | 3.8 | C[C@H](Cc1ccc(OCP(C)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44333968 | 11912 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 11 | 4 | 6 | 5.1 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c3ccccc23)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL105758 | 11912 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 542 | 11 | 4 | 6 | 5.1 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c3ccccc23)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44396729 | 73636 | 0 | None | 26 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL186247 | 73636 | 0 | None | 26 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 528 | 10 | 5 | 7 | 2.8 | CS(=O)(=O)c1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccc(N)c4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| 44333932 | 11292 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 10 | 4 | 7 | 3.4 | COc1ccc(C(C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102222 | 11292 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 10 | 4 | 7 | 3.4 | COc1ccc(C(C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 44344656 | 118109 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 584 | 13 | 6 | 8 | 3.1 | CCCNC(=O)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL326820 | 118109 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 584 | 13 | 6 | 8 | 3.1 | CCCNC(=O)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44444157 | 175668 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 8 | 4 | 6 | 2.5 | COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2F)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL438343 | 175668 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 412 | 8 | 4 | 6 | 2.5 | COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2F)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 146015362 | 7734 | 10 | None | -8 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| 3462 | 7734 | 10 | None | -8 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| 5486546 | 7734 | 10 | None | -8 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL1204876 | 7734 | 10 | None | -8 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| 9870286 | 116484 | 10 | None | 190 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 4.0 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL322862 | 116484 | 10 | None | 190 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 4.0 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 9870286 | 116484 | 10 | None | 190 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 4.0 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL322862 | 116484 | 10 | None | 190 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 4.0 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 9871887 | 109977 | 0 | None | -10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | |||
| CHEMBL308351 | 109977 | 0 | None | -10 | 4 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 537 | 3 | 3 | 4 | 3.7 | COc1c(I)cc(CC2NCCc3cc(O)c(O)cc32)cc1I | 10.1021/jm990012z | |||
| 44333524 | 11426 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 10 | 4 | 6 | 4.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL103117 | 11426 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 510 | 10 | 4 | 6 | 4.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OC(F)(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44334231 | 11607 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 451 | 9 | 4 | 6 | 3.2 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C#N)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL104217 | 11607 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 451 | 9 | 4 | 6 | 3.2 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C#N)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44286965 | 167188 | 0 | None | -8 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL41113 | 167188 | 0 | None | -8 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 349 | 9 | 3 | 4 | 3.0 | C[C@H](Cc1ccc(OCCO)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44423644 | 92184 | 0 | None | -269 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL226348 | 92184 | 0 | None | -269 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 426 | 10 | 2 | 7 | 2.6 | CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 44333605 | 11374 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 515 | 11 | 5 | 8 | 1.8 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)(C(N)=O)c2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102759 | 11374 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 515 | 11 | 5 | 8 | 1.8 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)(C(N)=O)c2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 44344758 | 20001 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 513 | 10 | 5 | 7 | 3.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2C)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119128 | 20001 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 513 | 10 | 5 | 7 | 3.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2C)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 46889701 | 13849 | 0 | None | -16 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085014 | 13849 | 0 | None | -16 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 500 | 9 | 2 | 6 | 4.0 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44423640 | 148833 | 0 | None | -1584 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL387851 | 148833 | 0 | None | -1584 | 3 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 398 | 9 | 3 | 6 | 2.2 | C[C@H](Cc1ccc(OCC(=O)O)cc1)NC[C@H](O)c1cc(Br)no1 | 10.1016/j.bmc.2007.01.056 | |||
| 1212 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 204 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 3372 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| CHEMBL726 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| DB00623 | 8443 | 50 | None | -630 | 65 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 437 | 6 | 1 | 5 | 4.3 | OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | nan | |||
| 46889670 | 13784 | 0 | None | -74 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084772 | 13784 | 0 | None | -74 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 533 | 7 | 2 | 5 | 5.2 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44344671 | 17184 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 515 | 10 | 6 | 8 | 2.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL116294 | 17184 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 515 | 10 | 6 | 8 | 2.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(O)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 52948056 | 24291 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257915 | 24291 | 0 | None | -1 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 19073276 | 11523 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1cccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL103784 | 11523 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1cccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 44333796 | 114192 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 482 | 9 | 4 | 6 | 4.6 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc3sccc3c2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL318074 | 114192 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 482 | 9 | 4 | 6 | 4.6 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc3sccc3c2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 46889852 | 13304 | 0 | None | -1148 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082827 | 13304 | 0 | None | -1148 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 428 | 7 | 2 | 4 | 4.7 | O=C(c1ccccc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 46889810 | 14188 | 0 | None | -457 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1086542 | 14188 | 0 | None | -457 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 414 | 7 | 2 | 3 | 5.0 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2ccccc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 46889699 | 13420 | 0 | None | -58 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083364 | 13420 | 0 | None | -58 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 470 | 8 | 1 | 5 | 4.1 | C=CCc1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 145973771 | 171498 | 0 | None | -2 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| CHEMBL4217398 | 171498 | 0 | None | -2 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 797 | 16 | 2 | 7 | 10.8 | CC(C)(C)OC(=O)NCCCCCCn1cc(CCCCN2CCC(c3ccc(-c4cc(C(=O)O)cc5cc(-c6ccc(C(F)(F)F)cc6)ccc45)cc3)CC2)nn1 | 10.1021/acs.jmedchem.8b00168 | |||
| 44344870 | 18469 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 567 | 10 | 5 | 7 | 4.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118121 | 18469 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 567 | 10 | 5 | 7 | 4.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 10119452 | 174196 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 534 | 12 | 4 | 7 | 3.9 | COc1ccc([C@@H](Cc2ccc(Cl)cc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL429665 | 174196 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 534 | 12 | 4 | 7 | 3.9 | COc1ccc([C@@H](Cc2ccc(Cl)cc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 44333864 | 115477 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 9 | 4 | 7 | 2.8 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2nccs2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL320818 | 115477 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 9 | 4 | 7 | 2.8 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2nccs2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 107715 | 207724 | 22 | None | -281 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL1255837 | 207724 | 22 | None | -281 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| CHEMBL601773 | 207724 | 22 | None | -281 | 20 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | nan | |||
| 44423645 | 92185 | 0 | None | -158 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| CHEMBL226349 | 92185 | 0 | None | -158 | 3 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 396 | 10 | 2 | 5 | 3.9 | CCCCOc1ccc(C[C@@H](C)NC[C@H](O)c2cc(Br)no2)cc1 | 10.1016/j.bmc.2007.01.056 | |||
| 44333758 | 11347 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 10 | 4 | 7 | 2.8 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cn1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102580 | 11347 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 10 | 4 | 7 | 2.8 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cn1 | 10.1016/s0960-894x(01)00629-1 | |||
| 10117815 | 100757 | 0 | None | 60 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL248548 | 100757 | 0 | None | 60 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 46889854 | 14080 | 0 | None | -831 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1086077 | 14080 | 0 | None | -831 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 446 | 7 | 2 | 4 | 4.8 | O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44435193 | 98000 | 0 | None | -14 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 5.6 | CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2013.04.082 | |||
| CHEMBL240045 | 98000 | 0 | None | -14 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 331 | 2 | 0 | 2 | 5.6 | CC(C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 | 10.1016/j.bmcl.2013.04.082 | |||
| 3914 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 39468 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 431 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 570 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| CHEMBL1201237 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| CHEMBL293030 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| DB01210 | 7527 | 35 | None | -45 | 7 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | nan | |||
| 64143 | 205643 | 62 | None | -1 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| CHEMBL584 | 205643 | 62 | None | -1 | 8 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | nan | |||
| 44333531 | 114173 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 506 | 10 | 4 | 6 | 4.5 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccccc12 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL317920 | 114173 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 506 | 10 | 4 | 6 | 4.5 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccccc12 | 10.1016/s0960-894x(01)00629-1 | |||
| 44344909 | 170085 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 586 | 14 | 5 | 9 | 2.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL418867 | 170085 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 586 | 14 | 5 | 9 | 2.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OCCN(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 52948612 | 24102 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.1 | O=C(O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257323 | 24102 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.1 | O=C(O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44444156 | 101243 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 510 | 11 | 4 | 6 | 4.1 | CS(=O)(=O)Nc1c(O)ccc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1F | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251361 | 101243 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 510 | 11 | 4 | 6 | 4.1 | CS(=O)(=O)Nc1c(O)ccc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1F | 10.1016/j.bmcl.2007.05.030 | |||
| 44344806 | 20874 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 513 | 10 | 5 | 7 | 3.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119786 | 20874 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 513 | 10 | 5 | 7 | 3.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(C)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 18662716 | 121220 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 529 | 10 | 5 | 9 | 2.5 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL333334 | 121220 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 529 | 10 | 5 | 9 | 2.5 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44333764 | 11333 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 448 | 8 | 4 | 5 | 3.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102471 | 11333 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 448 | 8 | 4 | 5 | 3.5 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccc(F)cc2)c2ccc(F)cc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 44444193 | 160594 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398241 | 160594 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 24937140 | 24456 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258483 | 24456 | 0 | None | -3 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889768 | 13847 | 0 | None | -323 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085010 | 13847 | 0 | None | -323 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 402 | 8 | 1 | 5 | 2.8 | CC(C)c1ccccc1OCC(O)CN1CCC(CN2C(=O)CCCC2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44344757 | 18726 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 409 | 9 | 5 | 7 | 0.6 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(N)=O)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118287 | 18726 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 409 | 9 | 5 | 7 | 0.6 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(N)=O)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44444163 | 101180 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 528 | 13 | 4 | 8 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL250978 | 101180 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 528 | 13 | 4 | 8 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 2585 | 7590 | 103 | None | -16 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 522 | 7590 | 103 | None | -16 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 551 | 7590 | 103 | None | -16 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| CHEMBL723 | 7590 | 103 | None | -16 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| DB01136 | 7590 | 103 | None | -16 | 22 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | nan | |||
| 44396532 | 73530 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL185836 | 73530 | 0 | None | 1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 455 | 9 | 4 | 5 | 4.3 | C[C@H](Cc1c[nH]c2ccccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| 24937013 | 24221 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257676 | 24221 | 0 | None | -4 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44333551 | 116485 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 10 | 6 | 7 | 3.1 | CC(=O)Nc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(NC(C)=O)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL322863 | 116485 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 526 | 10 | 6 | 7 | 3.1 | CC(=O)Nc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(NC(C)=O)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 24936763 | 24388 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258260 | 24388 | 0 | None | -3 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.9 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 18662700 | 85246 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL2111775 | 85246 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 145990586 | 173622 | 0 | None | -23 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| CHEMBL4285281 | 173622 | 0 | None | -23 | 11 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 297 | 2 | 2 | 4 | 2.6 | COc1cc2c3c(c1OC)-c1ccccc1[C@@H](O)[C@@H]3NCC2 | 10.1039/C7MD00656J | |||
| 44444187 | 101242 | 0 | None | 9 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251347 | 101242 | 0 | None | 9 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 18662712 | 20924 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 499 | 11 | 5 | 7 | 2.5 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119831 | 20924 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 499 | 11 | 5 | 7 | 2.5 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NCc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44344578 | 117431 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 529 | 11 | 5 | 8 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2OC)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL325853 | 117431 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 529 | 11 | 5 | 8 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2OC)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 2770390 | 13494 | 10 | None | -20 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083672 | 13494 | 10 | None | -20 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 499 | 10 | 1 | 6 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 1752 | 52535 | 59 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| CHEMBL153062 | 52535 | 59 | None | -2 | 5 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 220 | 8 | 1 | 1 | 4.7 | CCCCCCCCCc1ccc(O)cc1 | nan | |||
| 176 | 7186 | 66 | None | -10 | 31 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2157 | 7186 | 66 | None | -10 | 31 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2566 | 7186 | 66 | None | -10 | 31 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| CHEMBL633 | 7186 | 66 | None | -10 | 31 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| DB01118 | 7186 | 66 | None | -10 | 31 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | |||
| 2291 | 9958 | 58 | None | -8 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 2561 | 9958 | 58 | None | -8 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 4932 | 9958 | 58 | None | -8 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| CHEMBL631 | 9958 | 58 | None | -8 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| DB01182 | 9958 | 58 | None | -8 | 12 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | nan | |||
| 44334164 | 11205 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 12 | 4 | 5 | 3.6 | CCCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL101591 | 11205 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 420 | 12 | 4 | 5 | 3.6 | CCCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 44333734 | 12015 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL106329 | 12015 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc([C@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| 2541 | 7573 | 120 | None | -4897 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| 587 | 7573 | 120 | None | -4897 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| 6907 | 7573 | 120 | None | -4897 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| CHEMBL1016 | 7573 | 120 | None | -4897 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| DB00796 | 7573 | 120 | None | -4897 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| DB13919 | 7573 | 120 | None | -4897 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 440 | 7 | 2 | 7 | 4.0 | CCOc1nc2c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)c(ccc2)C(=O)O | nan | |||
| 1836 | 9370 | 59 | None | -61 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 3340 | 9370 | 59 | None | -61 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| 5281040 | 9370 | 59 | None | -61 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| CHEMBL787 | 9370 | 59 | None | -61 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| DB00471 | 9370 | 59 | None | -61 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | nan | |||
| CHEMBL4566600 | 220793 | 0 | None | -1 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | 10.6019/CHEMBL5212743 | |||||
| CHEMBL4745071 | 220793 | 0 | None | -1 | 6 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | Cc1c(C(=O)O)cc(-c2ccc(C3CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc12 | 10.6019/CHEMBL5212743 | |||||
| 9957065 | 11396 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102891 | 11396 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| 18662716 | 121220 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 10 | 5 | 9 | 2.5 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL333334 | 121220 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 529 | 10 | 5 | 9 | 2.5 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc3c(c2)OCO3)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44396659 | 74138 | 0 | None | 6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL188622 | 74138 | 0 | None | 6 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 535 | 11 | 4 | 8 | 3.2 | CS(=O)(=O)Oc1cccc2c(CCNC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12 | 10.1016/j.bmcl.2004.09.054 | |||
| 44334131 | 11845 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 11 | 4 | 8 | 1.2 | COC(=O)COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL105430 | 11845 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 438 | 11 | 4 | 8 | 1.2 | COC(=O)COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 52947431 | 24141 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 7 | 4.4 | OC(COc1ccccc1)CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257440 | 24141 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 478 | 7 | 1 | 7 | 4.4 | OC(COc1ccccc1)CN1CCCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 18662710 | 20548 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 499 | 10 | 4 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)N(C)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119539 | 20548 | 0 | None | - | 1 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 499 | 10 | 4 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)N(C)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 52946430 | 24597 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258940 | 24597 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 3.7 | CNC(=O)c1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 4276762 | 13726 | 10 | None | -11 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084526 | 13726 | 10 | None | -11 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 530 | 8 | 1 | 6 | 4.9 | COc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c(C(C)(C)C)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| 33624 | 10593 | 34 | None | -87 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 4061 | 10593 | 34 | None | -87 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 565 | 10593 | 34 | None | -87 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| CHEMBL499 | 10593 | 34 | None | -87 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| DB00373 | 10593 | 34 | None | -87 | 9 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | nan | |||
| 44344674 | 20940 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 515 | 10 | 6 | 8 | 2.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119860 | 20940 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 515 | 10 | 6 | 8 | 2.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44444181 | 161506 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 13 | 4 | 7 | 4.2 | CS(=O)(=O)Nc1cc(C[C@H](O)CNC(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL399867 | 161506 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 558 | 13 | 4 | 7 | 4.2 | CS(=O)(=O)Nc1cc(C[C@H](O)CNC(c2ccc(OC(F)F)cc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 46889729 | 13850 | 0 | None | -67 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085016 | 13850 | 0 | None | -67 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 434 | 9 | 1 | 5 | 3.2 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3ccccc3C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44112 | 128068 | 48 | None | -7 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| CHEMBL357995 | 128068 | 48 | None | -7 | 7 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | nan | |||
| 24936625 | 24256 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257798 | 24256 | 0 | None | 1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 15221053 | 211375 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL73220 | 211375 | 0 | None | -2 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 364 | 11 | 3 | 6 | 2.1 | C[C@H](Cc1ncc(CCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| 5353853 | 24758 | 47 | None | -25 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 9556529 | 24758 | 47 | None | -25 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1262 | 24758 | 47 | None | -25 | 15 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 127 | 9900 | 52 | None | -83 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 688095 | 9900 | 52 | None | -83 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL117405 | 9900 | 52 | None | -83 | 15 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | O[C@H](COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 19073158 | 11295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 426 | 9 | 4 | 5 | 3.4 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102257 | 11295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 426 | 9 | 4 | 5 | 3.4 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 19073158 | 11295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 426 | 9 | 4 | 5 | 3.4 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102257 | 11295 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 426 | 9 | 4 | 5 | 3.4 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccccc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44444160 | 161647 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 10 | 4 | 7 | 1.5 | COc1ccc(CNC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL400669 | 161647 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 408 | 10 | 4 | 7 | 1.5 | COc1ccc(CNC[C@H](O)CC(=O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 44312269 | 211218 | 0 | None | -5 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL72168 | 211218 | 0 | None | -5 | 3 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 382 | 10 | 3 | 5 | 3.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NCC(O)c1cccc(Cl)c1 | 10.1016/0960-894X(96)00417-9 | |||
| 52943968 | 24566 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258824 | 24566 | 0 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 518 | 9 | 4 | 8 | 3.8 | NC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 18662711 | 17808 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL117577 | 17808 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44344911 | 19593 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 589 | 13 | 5 | 10 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118834 | 19593 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 589 | 13 | 5 | 10 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44345040 | 119626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 573 | 13 | 6 | 9 | 2.4 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL330924 | 119626 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 573 | 13 | 6 | 9 | 2.4 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 52948613 | 24104 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.8 | OC(COc1ccccc1)CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257325 | 24104 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.8 | OC(COc1ccccc1)CN1CCC(Nc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44286983 | 148488 | 0 | None | -21 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL38569 | 148488 | 0 | None | -21 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 362 | 9 | 3 | 4 | 2.5 | C[C@H](Cc1ccc(OCC(N)=O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44333761 | 11300 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 7 | 4 | 5 | 1.6 | CCC(C)(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102291 | 11300 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 316 | 7 | 4 | 5 | 1.6 | CCC(C)(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 44444164 | 101212 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 10 | 4 | 6 | 1.9 | COc1ccc(CNC[C@H](O)CCc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251175 | 101212 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 394 | 10 | 4 | 6 | 1.9 | COc1ccc(CNC[C@H](O)CCc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 65772 | 67177 | 8 | None | -204 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| CHEMBL174984 | 67177 | 8 | None | -204 | 6 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 345 | 5 | 3 | 6 | 2.6 | COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| 657255 | 205863 | 34 | None | -21 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| CHEMBL588119 | 205863 | 34 | None | -21 | 15 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | nan | |||
| 2796082 | 13607 | 4 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083995 | 13607 | 4 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44333651 | 115001 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 13 | 4 | 7 | 4.6 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL319687 | 115001 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 13 | 4 | 7 | 4.6 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44344787 | 16859 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 10 | 5 | 7 | 3.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2Cl)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL115424 | 16859 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 533 | 10 | 5 | 7 | 3.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2Cl)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 46889700 | 13848 | 0 | None | -295 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1085013 | 13848 | 0 | None | -295 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 472 | 7 | 1 | 5 | 4.5 | CC(C)c1ccccc1OCC(O)CN1CCC(N2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL4445645 | 220713 | 18 | None | -4 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F | 10.6019/CHEMBL5058646 | |||||
| 44312421 | 170117 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL419085 | 170117 | 0 | None | -2 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 392 | 13 | 3 | 6 | 2.9 | C[C@H](Cc1ncc(CCCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| 44444188 | 101270 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251554 | 101270 | 0 | None | -1 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 484 | 12 | 4 | 6 | 3.6 | COc1cccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL4445645 | 220713 | 18 | None | -4 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | C[C@@H]1CN(c2ncc(Cl)c(Nc3ccc4c(c3)n(CCC(C)(C)O)c(=O)n4C)n2)C[C@H](C)C1(F)F | 10.6019/CHEMBL5058646 | |||||
| 11432806 | 72971 | 0 | None | 12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| 11432806 | 72971 | 0 | None | 12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| CHEMBL184407 | 72971 | 0 | None | 12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.09.054 | |||
| CHEMBL184407 | 72971 | 0 | None | 12 | 3 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 549 | 11 | 4 | 8 | 3.6 | C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1 | 10.1016/j.bmcl.2004.10.035 | |||
| 44344714 | 16967 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 10 | 6 | 7 | 2.0 | C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(C(N)=O)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL115972 | 16967 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 512 | 10 | 6 | 7 | 2.0 | C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(C(N)=O)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 9870286 | 116484 | 10 | None | -190 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 4.0 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL322862 | 116484 | 10 | None | -190 | 2 | Mouse | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 492 | 11 | 4 | 6 | 4.0 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 4421983 | 14051 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1086005 | 14051 | 5 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 484 | 9 | 1 | 5 | 4.3 | C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 52946537 | 24495 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258599 | 24495 | 0 | None | -2 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 384 | 7 | 2 | 7 | 2.7 | OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889772 | 13767 | 0 | None | -4073 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084707 | 13767 | 0 | None | -4073 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 563 | 8 | 2 | 6 | 5.2 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| 26162 | 109859 | 14 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 288 | 6 | 4 | 5 | 0.8 | CC(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL30746 | 109859 | 14 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 288 | 6 | 4 | 5 | 0.8 | CC(C)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 3687256 | 13606 | 7 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083994 | 13606 | 7 | None | -5 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 500 | 8 | 1 | 5 | 5.0 | Cc1ccc(C(C)C)c(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1 | 10.1016/j.bmcl.2010.04.009 | |||
| 4189 | 213701 | 96 | None | -28 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL1559 | 213701 | 96 | None | -28 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| CHEMBL91 | 213701 | 96 | None | -28 | 34 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | nan | |||
| 19073116 | 116181 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 9 | 4 | 5 | 4.7 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL321987 | 116181 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 494 | 9 | 4 | 5 | 4.7 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc(Cl)c(Cl)c2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 52949489 | 24319 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258024 | 24319 | 0 | None | -1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 1548953 | 214458 | 27 | None | -19 | 17 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| CHEMBL954 | 214458 | 27 | None | -19 | 17 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1 | nan | |||
| 44333846 | 174727 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 476 | 9 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2cccc3ccccc23)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL431638 | 174727 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 476 | 9 | 4 | 5 | 4.5 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2cccc3ccccc23)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44333716 | 114161 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 432 | 9 | 4 | 5 | 3.6 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)C2CCCCC2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL317852 | 114161 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 432 | 9 | 4 | 5 | 3.6 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)C2CCCCC2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 19073138 | 11402 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102928 | 11402 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 19073138 | 11402 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102928 | 11402 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| 44344960 | 17277 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL116715 | 17277 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 456 | 10 | 4 | 6 | 3.4 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 19073145 | 11427 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 504 | 10 | 4 | 7 | 2.8 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL103118 | 11427 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 504 | 10 | 4 | 7 | 2.8 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc(S(C)(=O)=O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44345048 | 118075 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 573 | 13 | 6 | 9 | 2.4 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OCC(=O)O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL326612 | 118075 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 573 | 13 | 6 | 9 | 2.4 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OCC(=O)O)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 46889811 | 13227 | 0 | None | -2290 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082500 | 13227 | 0 | None | -2290 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 444 | 8 | 2 | 4 | 5.0 | COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44344819 | 120770 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 559 | 12 | 5 | 9 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OC)c(OC)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL332632 | 120770 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 559 | 12 | 5 | 9 | 3.0 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(OC)c(OC)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 2796082 | 13607 | 4 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1083995 | 13607 | 4 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 9 | 2 | 8 | 4.4 | COc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 10227108 | 101279 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251580 | 101279 | 0 | None | 6 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 3198 | 212292 | 76 | None | -31 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL1201049 | 212292 | 76 | None | -31 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| CHEMBL808 | 212292 | 76 | None | -31 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | nan | |||
| 44344828 | 16889 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 551 | 10 | 5 | 7 | 3.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2F)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL115627 | 16889 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 551 | 10 | 5 | 7 | 3.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2F)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 52943932 | 24528 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258705 | 24528 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 485 | 8 | 2 | 8 | 4.2 | N#Cc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44333923 | 11339 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 9 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102522 | 11339 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 380 | 9 | 4 | 6 | 1.6 | COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 19073210 | 11441 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 436 | 13 | 5 | 6 | 2.6 | CS(=O)(=O)Nc1cc(C(O)CNC(CCCCCO)Cc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL103219 | 11441 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 436 | 13 | 5 | 6 | 2.6 | CS(=O)(=O)Nc1cc(C(O)CNC(CCCCCO)Cc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 24937269 | 24419 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258371 | 24419 | 0 | None | -2 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 490 | 9 | 3 | 8 | 3.8 | OCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44344575 | 17811 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 591 | 12 | 5 | 8 | 4.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL117596 | 17811 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 591 | 12 | 5 | 8 | 4.7 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(Oc3ccccc3)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44333797 | 11425 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 5 | 7 | 1.1 | CS(=O)(=O)Nc1cc(C(O)CNCCc2ccc(OCC(=O)O)cc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL103096 | 11425 | 0 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 424 | 11 | 5 | 7 | 1.1 | CS(=O)(=O)Nc1cc(C(O)CNCCc2ccc(OCC(=O)O)cc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 2769774 | 13490 | 17 | None | -707 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083667 | 13490 | 17 | None | -707 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 277 | 7 | 1 | 4 | 1.5 | C=CCc1ccccc1OCC(O)CN1CCOCC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 24937390 | 24387 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258259 | 24387 | 0 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 490 | 8 | 3 | 8 | 4.4 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 44444162 | 161735 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 534 | 13 | 4 | 7 | 3.9 | CS(=O)(=O)Nc1cc(C(=O)C[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL401135 | 161735 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 534 | 13 | 4 | 7 | 3.9 | CS(=O)(=O)Nc1cc(C(=O)C[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 44344820 | 121288 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 601 | 10 | 5 | 7 | 4.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL333551 | 121288 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 601 | 10 | 5 | 7 | 4.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 33630 | 185736 | 99 | None | -10 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| CHEMBL47050 | 185736 | 99 | None | -10 | 28 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2018.10.036 | |||
| 19073142 | 162521 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 482 | 11 | 4 | 5 | 4.5 | CCc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL405622 | 162521 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 482 | 11 | 4 | 5 | 4.5 | CCc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1CC | 10.1016/s0960-894x(01)00628-x | |||
| 44344910 | 119677 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 14 | 5 | 9 | 2.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OCCN(C)C)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL331027 | 119677 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 586 | 14 | 5 | 9 | 2.9 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(OCCN(C)C)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 164451 | 109954 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL308150 | 109954 | 14 | None | -1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 361 | 12 | 3 | 6 | 1.6 | O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 | 10.1016/0960-894X(96)00417-9 | |||
| 10140092 | 101280 | 0 | None | 9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251581 | 101280 | 0 | None | 9 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 470 | 11 | 4 | 6 | 3.2 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 2812 | 11551 | 101 | None | -35 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| CHEMBL104 | 11551 | 101 | None | -35 | 34 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | nan | |||
| 44333738 | 113971 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 10 | 4 | 7 | 1.6 | COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL316546 | 113971 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 410 | 10 | 4 | 7 | 1.6 | COc1ccc(CCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/s0960-894x(01)00628-x | |||
| 44286964 | 170175 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 399 | 9 | 4 | 4 | 3.1 | C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL41948 | 170175 | 0 | None | -1 | 2 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 399 | 9 | 4 | 4 | 3.1 | C[C@H](Cc1ccc(OCP(=O)(O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44333795 | 11313 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 13 | 4 | 7 | 2.7 | COC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102364 | 11313 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 464 | 13 | 4 | 7 | 2.7 | COC(=O)CCCCC(Cc1ccccc1)NCC(O)c1ccc(O)c(NS(C)(=O)=O)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 1016 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2561 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 2733526 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 5384 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| CHEMBL83 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| DB00675 | 10519 | 78 | None | -33 | 35 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 371 | 8 | 0 | 2 | 6.0 | CC/C(=C(\c1ccccc1)/c1ccc(cc1)OCCN(C)C)/c1ccccc1 | nan | |||
| 44333733 | 11879 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 412 | 8 | 4 | 5 | 3.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccccc2)c2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL105603 | 11879 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 412 | 8 | 4 | 5 | 3.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(c2ccccc2)c2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 52943383 | 24353 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258142 | 24353 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.3 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44444189 | 101271 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL251555 | 101271 | 0 | None | 1 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 586 | 15 | 4 | 7 | 4.8 | CS(=O)(=O)Nc1cc(C[C@@H](O)CN[C@@H](CCc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 46889771 | 13766 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084706 | 13766 | 0 | None | -15 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 549 | 7 | 3 | 6 | 4.9 | O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 10230413 | 101140 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 12 | 4 | 7 | 3.9 | COc1ccc([C@@H](Cc2cccc(Cl)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL250755 | 101140 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 12 | 4 | 7 | 3.9 | COc1ccc([C@@H](Cc2cccc(Cl)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 9960584 | 161408 | 0 | None | 10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL399329 | 161408 | 0 | None | 10 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 24937137 | 24530 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258707 | 24530 | 0 | None | -3 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 2247 | 7293 | 81 | None | -102 | 42 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 249 | 7293 | 81 | None | -102 | 42 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 2603 | 7293 | 81 | None | -102 | 42 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| CHEMBL296419 | 7293 | 81 | None | -102 | 42 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| DB00637 | 7293 | 81 | None | -102 | 42 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | nan | |||
| 44344618 | 16876 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 513 | 10 | 5 | 7 | 3.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL115538 | 16876 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 513 | 10 | 5 | 7 | 3.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cccc(C)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 24936882 | 24354 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258143 | 24354 | 0 | None | -3 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 9 | 4 | 10 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 24936883 | 24103 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257324 | 24103 | 0 | None | -2 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 46889769 | 13492 | 0 | None | -2570 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083669 | 13492 | 0 | None | -2570 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 304 | 8 | 2 | 4 | 1.8 | C=CCc1ccccc1OCC(O)CNC1CCN(C)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 52941476 | 24457 | 0 | None | -6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258484 | 24457 | 0 | None | -6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 488 | 9 | 2 | 7 | 4.9 | CCc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 52948805 | 24527 | 0 | None | -6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258704 | 24527 | 0 | None | -6 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 502 | 9 | 2 | 7 | 5.5 | CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 2176 | 9901 | 68 | None | -151 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 4828 | 9901 | 68 | None | -151 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 91 | 9901 | 68 | None | -151 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| CHEMBL500 | 9901 | 68 | None | -151 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| DB00960 | 9901 | 68 | None | -151 | 27 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | nan | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/s0960-894x(01)00628-x | |||
| 52946357 | 24494 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258598 | 24494 | 0 | None | -1 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 430 | 8 | 4 | 9 | 1.9 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4sccc34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 10544781 | 211464 | 0 | None | -109 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| CHEMBL73917 | 211464 | 0 | None | -109 | 3 | Human | 4.2 | pKi | = | 4.2 | Binding | ChEMBL | 335 | 5 | 2 | 7 | 2.2 | COc1cc(CC2NCCc3nc(N)sc32)cc(OC)c1OC | 10.1021/jm990012z | |||
| 44333847 | 11751 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 11 | 4 | 6 | 4.3 | Cc1cc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1OC(F)F | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL104905 | 11751 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 11 | 4 | 6 | 4.3 | Cc1cc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1OC(F)F | 10.1016/s0960-894x(01)00629-1 | |||
| 46889728 | 13489 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083666 | 13489 | 0 | None | -18 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 9 | 1 | 6 | 4.7 | COc1cc2c3c(cccc3c1)C(=O)N(CC1CCN(CC(O)COc3ccccc3C(C)C)CC1)C2=O | 10.1016/j.bmcl.2010.04.009 | |||
| 44444149 | 101035 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 394 | 8 | 4 | 6 | 2.3 | COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL250191 | 101035 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 394 | 8 | 4 | 6 | 2.3 | COc1ccc(C(C)(C)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 10186965 | 175579 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 12 | 4 | 7 | 3.9 | COc1ccc([C@@H](Cc2ccccc2Cl)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL437578 | 175579 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 534 | 12 | 4 | 7 | 3.9 | COc1ccc([C@@H](Cc2ccccc2Cl)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 44444191 | 179212 | 0 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL447786 | 179212 | 0 | None | 8 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 548 | 13 | 4 | 7 | 4.3 | COc1ccc([C@H](CCc2ccccc2Cl)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 24936626 | 24181 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257555 | 24181 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 19073136 | 11432 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)c1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL103147 | 11432 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 486 | 11 | 4 | 7 | 3.4 | COc1ccc(C(Cc2ccccc2)NCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)c1 | 10.1016/s0960-894x(01)00628-x | |||
| 44333802 | 11850 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 12 | 4 | 6 | 5.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL105475 | 11850 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 12 | 4 | 6 | 5.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OCc3ccccc3)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 18662692 | 105033 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(N)=O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL274494 | 105033 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 469 | 10 | 5 | 6 | 2.5 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(N)=O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 19073229 | 11866 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 9 | 4 | 6 | 2.8 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccncc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL105559 | 11866 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 9 | 4 | 6 | 2.8 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccncc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 18662723 | 18797 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 491 | 10 | 5 | 7 | 2.6 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NC2CCCCC2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118336 | 18797 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 491 | 10 | 5 | 7 | 2.6 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NC2CCCCC2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 71623052 | 151293 | 16 | None | -56 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 558 | 5 | 1 | 6 | 7.6 | Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1 | 10.6019/CHEMBL5212743 | |||
| CHEMBL3907057 | 151293 | 16 | None | -56 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 558 | 5 | 1 | 6 | 7.6 | Cc1cc(C)c(-n2ccn3nc(-c4cccnc4)cc23)cc1NC(=O)c1cc(C#N)cc(S(F)(F)(F)(F)F)c1 | 10.6019/CHEMBL5212743 | |||
| 44344619 | 17829 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 10 | 5 | 7 | 4.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL117737 | 17829 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 567 | 10 | 5 | 7 | 4.3 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 24937014 | 24180 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257554 | 24180 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 506 | 9 | 4 | 9 | 3.6 | OCc1cc(O)ccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889812 | 13228 | 0 | None | -724 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082501 | 13228 | 0 | None | -724 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 415 | 7 | 2 | 4 | 4.4 | OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL5274312 | 200588 | 0 | None | -6 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 383 | 4 | 0 | 3 | 5.0 | CC[Si](C#Cc1cccc2c1OC(C(F)(F)F)C([N+](=O)[O-])=C2)(CC)CC | 10.1016/j.bmcl.2022.128981 | |||
| 18435422 | 161505 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 11 | 4 | 7 | 1.5 | COc1ccc(CCNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL399866 | 161505 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 424 | 11 | 4 | 7 | 1.5 | COc1ccc(CCNCC(O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 18662693 | 114571 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 11 | 5 | 6 | 2.4 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(CC(N)=O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL319186 | 114571 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 483 | 11 | 5 | 6 | 2.4 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(CC(N)=O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 24936491 | 24292 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257916 | 24292 | 0 | None | 2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 494 | 8 | 3 | 8 | 4.2 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 24936492 | 24321 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258026 | 24321 | 0 | None | -2 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 482 | 8 | 3 | 9 | 4.1 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5cccs5)c34)CC2)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 9821129 | 211219 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL72169 | 211219 | 0 | None | 1 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 378 | 12 | 3 | 6 | 2.5 | C[C@H](Cc1ncc(CCCC(=O)O)s1)NC[C@H](O)COc1ccccc1 | 10.1016/0960-894X(96)00417-9 | |||
| 18662711 | 17808 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL117577 | 17808 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 18662711 | 17808 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL117577 | 17808 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 485 | 10 | 5 | 7 | 2.8 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccccc2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 52943730 | 24105 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 492 | 9 | 2 | 7 | 5.1 | OC(COc1ccccc1)CN1CCC(CNc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257326 | 24105 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 492 | 9 | 2 | 7 | 5.1 | OC(COc1ccccc1)CN1CCC(CNc2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 18662704 | 115966 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 470 | 9 | 4 | 7 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL321518 | 115966 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 470 | 9 | 4 | 7 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc3c(c2)OCO3)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 10140996 | 161697 | 0 | None | 134 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL400947 | 161697 | 0 | None | 134 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 486 | 11 | 5 | 7 | 3.0 | COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 24936881 | 24289 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257913 | 24289 | 0 | None | -1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 476 | 8 | 3 | 8 | 4.1 | Oc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 18662719 | 117105 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 10 | 5 | 7 | 3.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL323938 | 117105 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 10 | 5 | 7 | 3.6 | COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 18662698 | 165472 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 497 | 10 | 4 | 6 | 3.1 | CN(C)C(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL409312 | 165472 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 497 | 10 | 4 | 6 | 3.1 | CN(C)C(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| 52949862 | 24140 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 464 | 7 | 1 | 7 | 4.1 | OC(COc1ccccc1)CN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257439 | 24140 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 464 | 7 | 1 | 7 | 4.1 | OC(COc1ccccc1)CN1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 9908924 | 148433 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL38538 | 148433 | 0 | None | 2 | 3 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 9 | 3 | 5 | 2.8 | C[C@H](Cc1ccc(OCS(=O)(=O)O)cc1)NC[C@H](O)c1cccc(Cl)c1 | 10.1016/S0960-894X(97)00266-7 | |||
| 44333726 | 11386 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 10 | 4 | 7 | 3.2 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL102836 | 11386 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 10 | 4 | 7 | 3.2 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 44333588 | 11429 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 558 | 12 | 4 | 7 | 4.6 | CC(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL103131 | 11429 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 558 | 12 | 4 | 7 | 4.6 | CC(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 44333726 | 11386 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 10 | 4 | 7 | 3.2 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL102836 | 11386 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 10 | 4 | 7 | 3.2 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44333726 | 11386 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 10 | 4 | 7 | 3.2 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL102836 | 11386 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 472 | 10 | 4 | 7 | 3.2 | COc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1016/j.bmcl.2007.05.030 | |||
| 44344526 | 18398 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 379 | 8 | 5 | 6 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC(=O)Nc2ccccc2)ccc1O | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118069 | 18398 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 379 | 8 | 5 | 6 | 1.0 | CS(=O)(=O)Nc1cc([C@@H](O)CNCC(=O)Nc2ccccc2)ccc1O | 10.1016/j.bmcl.2004.04.074 | |||
| 44334144 | 11283 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 9 | 4 | 5 | 3.5 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc(F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102177 | 11283 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 444 | 9 | 4 | 5 | 3.5 | CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc(F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44333853 | 11766 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 4.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL104988 | 11766 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 524 | 11 | 4 | 6 | 4.3 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(OCC(F)(F)F)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 44333920 | 11771 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 10 | 4 | 7 | 3.2 | COC(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL105004 | 11771 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 484 | 10 | 4 | 7 | 3.2 | COC(=O)c1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| 52943969 | 24567 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258825 | 24567 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 517 | 9 | 3 | 8 | 4.3 | CC(=O)Nc1cccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889642 | 13727 | 0 | None | -6 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1084527 | 13727 | 0 | None | -6 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 483 | 7 | 2 | 5 | 4.1 | O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(CC(O)COc2ccc3[nH]ccc3c2)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 52943919 | 24493 | 0 | None | -14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258597 | 24493 | 0 | None | -14 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 10 | 2 | 7 | 5.1 | C=CCc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 155770281 | 184526 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | |||
| CHEMBL4642592 | 184526 | 0 | None | 1 | 9 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 517 | 4 | 1 | 2 | 7.6 | CC(=O)N1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1 | 10.1021/acs.jmedchem.1c00164 | |||
| 18662695 | 115407 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 470 | 10 | 5 | 6 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(=O)O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL320667 | 115407 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 470 | 10 | 5 | 6 | 3.1 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(C(=O)O)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 19073112 | 114324 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 450 | 13 | 5 | 6 | 2.6 | CS(=O)(=O)Nc1cc(C(O)CNC(CCCCC(=O)O)Cc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL318830 | 114324 | 0 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 450 | 13 | 5 | 6 | 2.6 | CS(=O)(=O)Nc1cc(C(O)CNC(CCCCC(=O)O)Cc2ccccc2)ccc1O | 10.1016/s0960-894x(01)00628-x | |||
| 24886595 | 24418 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258370 | 24418 | 0 | None | -1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 478 | 8 | 2 | 7 | 4.5 | OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccc(F)cc1 | 10.1016/j.bmcl.2010.08.039 | |||
| 44444165 | 161775 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 520 | 13 | 4 | 6 | 4.2 | CS(=O)(=O)Nc1cc(CC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL401334 | 161775 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 520 | 13 | 4 | 6 | 4.2 | CS(=O)(=O)Nc1cc(CC[C@@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)ccc1O | 10.1016/j.bmcl.2007.05.030 | |||
| 18662718 | 18609 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 10 | 5 | 7 | 3.4 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL118216 | 18609 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 519 | 10 | 5 | 7 | 3.4 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 44333536 | 114127 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 506 | 11 | 4 | 6 | 4.1 | C[C@](Cc1ccccc1)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL317648 | 114127 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 506 | 11 | 4 | 6 | 4.1 | C[C@](Cc1ccccc1)(NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)c1ccc(OC(F)F)cc1 | 10.1016/s0960-894x(01)00629-1 | |||
| 9828292 | 207625 | 10 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 526 | 11 | 4 | 6 | 4.6 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2cccc(Cl)c2)c2ccc(OC(F)F)cc2)ccc1O | 10.1021/jm980521l | |||
| CHEMBL60116 | 207625 | 10 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 526 | 11 | 4 | 6 | 4.6 | CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2cccc(Cl)c2)c2ccc(OC(F)F)cc2)ccc1O | 10.1021/jm980521l | |||
| 24936885 | 24255 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257797 | 24255 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 9 | 3 | 8 | 4.6 | CCc1cc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)ccc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 10207208 | 160946 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL398557 | 160946 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.3 | COc1ccc([C@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 44444185 | 161537 | 0 | None | 43 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| CHEMBL400067 | 161537 | 0 | None | 43 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 514 | 13 | 4 | 7 | 3.6 | COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC | 10.1016/j.bmcl.2007.05.030 | |||
| 52947060 | 24355 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258144 | 24355 | 0 | None | 1 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 474 | 8 | 2 | 7 | 4.7 | Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccccc4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 46889853 | 13305 | 0 | None | -45708 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1082828 | 13305 | 0 | None | -45708 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.7 | COc1ccc(C(=O)C2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 | 10.1016/j.bmcl.2010.04.009 | |||
| 24937387 | 24138 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1ccc(O)cc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257437 | 24138 | 0 | None | -1 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 520 | 9 | 4 | 9 | 3.8 | O=C(O)c1ccc(O)cc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 | 10.1016/j.bmcl.2010.08.039 | |||
| 3339 | 210420 | 117 | None | -10 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | nan | |||
| CHEMBL672 | 210420 | 117 | None | -10 | 5 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | nan | |||
| 44444151 | 161715 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 635 | 15 | 5 | 10 | 3.8 | CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1007/s00044-009-9257-x | |||
| CHEMBL401068 | 161715 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 635 | 15 | 5 | 10 | 3.8 | CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 | 10.1007/s00044-009-9257-x | |||
| 9895810 | 117358 | 5 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 649 | 16 | 5 | 10 | 4.7 | CCOP(=O)(Cc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1)OCC | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL325425 | 117358 | 5 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 649 | 16 | 5 | 10 | 4.7 | CCOP(=O)(Cc1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1)OCC | 10.1016/j.bmcl.2004.04.074 | |||
| 52943770 | 24139 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1257438 | 24139 | 0 | None | -1 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 492 | 8 | 4 | 9 | 3.8 | Oc1ccc(OCC(O)CNC2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1O | 10.1016/j.bmcl.2010.08.039 | |||
| 44344701 | 20960 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 547 | 9 | 5 | 6 | 3.7 | C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL119875 | 20960 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 547 | 9 | 5 | 6 | 3.7 | C[C@@](NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/S0960-894X(97)00266-7 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 10.1016/0960-894X(96)00417-9 | |||
| 18662714 | 121526 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 9 | 5 | 7 | 2.1 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| CHEMBL333879 | 121526 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 465 | 9 | 5 | 7 | 2.1 | COc1ccc([C@H](NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2004.04.074 | |||
| 46889809 | 13419 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| CHEMBL1083363 | 13419 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 6 | 2 | 5 | 5.0 | O=C1c2cccc3cccc(c23)C(=O)N1C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1 | 10.1016/j.bmcl.2010.04.009 | |||
| 44333790 | 116540 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.5 | COCc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(COC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| CHEMBL323091 | 116540 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 500 | 12 | 4 | 7 | 3.5 | COCc1ccc(C(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(COC)cc2)cc1 | 10.1016/s0960-894x(01)00628-x | |||
| 24936627 | 24458 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| CHEMBL1258485 | 24458 | 0 | None | -4 | 3 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 444 | 8 | 4 | 9 | 2.2 | Cc1csc2ncnc(N3CCC(NCC(O)COc4ccc(O)c(CO)c4)CC3)c12 | 10.1016/j.bmcl.2010.08.039 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | nan | |||
| 44333830 | 11367 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 518 | 11 | 4 | 6 | 5.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| CHEMBL102701 | 11367 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | 518 | 11 | 4 | 6 | 5.2 | CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1O | 10.1016/s0960-894x(01)00629-1 | |||
| 155774 | 10868 | 40 | None | -9 | 3 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| 2848 | 10868 | 40 | None | -9 | 3 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| 538 | 10868 | 40 | None | -9 | 3 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| CHEMBL75753 | 10868 | 40 | None | -9 | 3 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| DB13781 | 10868 | 40 | None | -9 | 3 | Human | 8.3 | pKd | = | 8.3 | Binding | Drug Central | 339 | 8 | 4 | 6 | -0.2 | OC(COc1ccc(cc1)O)CNCCNC(=O)N1CCOCC1 | None | |||
| 2176 | 9901 | 68 | None | -151 | 27 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 4828 | 9901 | 68 | None | -151 | 27 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 91 | 9901 | 68 | None | -151 | 27 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| CHEMBL500 | 9901 | 68 | None | -151 | 27 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| DB00960 | 9901 | 68 | None | -151 | 27 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 137 | 7158 | 52 | None | -74 | 12 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 2119 | 7158 | 52 | None | -74 | 12 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 563 | 7158 | 52 | None | -74 | 12 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 66368 | 7158 | 52 | None | -74 | 12 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| CHEMBL266195 | 7158 | 52 | None | -74 | 12 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| DB00866 | 7158 | 52 | None | -74 | 12 | Human | 8.2 | pKd | = | 8.2 | Binding | Drug Central | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 2687 | 7676 | 16 | None | -158 | 5 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| 532 | 7676 | 16 | None | -158 | 5 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| 5387 | 7676 | 16 | None | -158 | 5 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| CHEMBL420746 | 7676 | 16 | None | -158 | 5 | Human | 7.0 | pKd | = | 7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 20590599 | |||
| 3075702 | 224111 | 0 | 125I-CYP | -2 | 37 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 198 | 3 | 1 | 3 | 1.5 | C1CNC1COC2=CN=C(C=C2)Cl | None | |||
| 1028 | 7079 | 71 | 125I-CYP | -4168 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 139148732 | 7079 | 71 | 125I-CYP | -4168 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 479 | 7079 | 71 | 125I-CYP | -4168 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 5816 | 7079 | 71 | 125I-CYP | -4168 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL679 | 7079 | 71 | 125I-CYP | -4168 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00668 | 7079 | 71 | 125I-CYP | -4168 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 179 | 7188 | 115 | 125I-Iodopindolol | -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 | 7188 | 115 | 125I-Iodopindolol | -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 | 7188 | 115 | 125I-Iodopindolol | -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 | 7188 | 115 | 125I-Iodopindolol | -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 | 7188 | 115 | 125I-Iodopindolol | -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 | |||
| 2249 | 7300 | 111 | 125I-CYP | -295 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 255 | 7300 | 111 | 125I-CYP | -295 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 548 | 7300 | 111 | 125I-CYP | -295 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| CHEMBL24 | 7300 | 111 | 125I-CYP | -295 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| DB00335 | 7300 | 111 | 125I-CYP | -295 | 12 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 266 | 8 | 3 | 4 | 0.5 | OC(COc1ccc(cc1)CC(=O)N)CNC(C)C | None | |||
| 1155 | 8410 | 53 | 125I-CYP | -26 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
| 3343 | 8410 | 53 | 125I-CYP | -26 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
| 557 | 8410 | 53 | 125I-CYP | -26 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
| CHEMBL32800 | 8410 | 53 | 125I-CYP | -26 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
| DB01288 | 8410 | 53 | 125I-CYP | -26 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | None | |||
| 1786 | 9298 | 85 | 125I-CYP | -524 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 4171 | 9298 | 85 | 125I-CYP | -524 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 553 | 9298 | 85 | 125I-CYP | -524 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| CHEMBL13 | 9298 | 85 | 125I-CYP | -524 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| DB00264 | 9298 | 85 | 125I-CYP | -524 | 11 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 267 | 9 | 2 | 4 | 1.6 | COCCc1ccc(cc1)OCC(CNC(C)C)O | None | |||
| 243 | 9976 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 3052762 | 9976 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 3502 | 9976 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| CHEMBL117287 | 9976 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| DB06480 | 9976 | 91 | 125I-ICYP | -1096 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 367 | 6 | 2 | 5 | 2.1 | COCCCN1CCC(CC1)NC(=O)c1cc(Cl)c(c2c1OCC2)N | None | |||
| 105 | 10234 | 91 | 125I-CYP | -5 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 2083 | 10234 | 91 | 125I-CYP | -5 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 558 | 10234 | 91 | 125I-CYP | -5 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| CHEMBL714 | 10234 | 91 | 125I-CYP | -5 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| DB01001 | 10234 | 91 | 125I-CYP | -5 | 6 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 2598 | 10550 | 58 | 125I-CYP | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
| 5403 | 10550 | 58 | 125I-CYP | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
| 560 | 10550 | 58 | 125I-CYP | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
| CHEMBL1760 | 10550 | 58 | 125I-CYP | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
| DB00871 | 10550 | 58 | 125I-CYP | -67 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 225 | 3 | 4 | 4 | 1.5 | OC(c1cc(O)cc(c1)O)CNC(C)(C)C | None | |||
| 1499 | 8872 | 47 | 125I-CYP | -588 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 3779 | 8872 | 47 | 125I-CYP | -588 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 536 | 8872 | 47 | 125I-CYP | -588 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| CHEMBL434 | 8872 | 47 | 125I-CYP | -588 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| DB01064 | 8872 | 47 | 125I-CYP | -588 | 17 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 2303 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 9961 | 68 | 125I-CYP | -213 | 26 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 2685 | 7677 | 21 | 125I-CYP | -2630 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | |||
| 541 | 7677 | 21 | 125I-CYP | -2630 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | |||
| CHEMBL280822 | 7677 | 21 | 125I-CYP | -2630 | 7 | Human | 5.6 | pKi | = | 5.6 | Binding | PDSP KiDatabase | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | None | |||
| 2585 | 7590 | 103 | 125I-CYP | -16 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 7590 | 103 | 125I-CYP | -16 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 7590 | 103 | 125I-CYP | -16 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 7590 | 103 | 125I-CYP | -16 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 7590 | 103 | 125I-CYP | -16 | 22 | Human | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 137 | 7158 | 52 | 125I-CYP | -74 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 2119 | 7158 | 52 | 125I-CYP | -74 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 563 | 7158 | 52 | 125I-CYP | -74 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 66368 | 7158 | 52 | 125I-CYP | -74 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| CHEMBL266195 | 7158 | 52 | 125I-CYP | -74 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| DB00866 | 7158 | 52 | 125I-CYP | -74 | 12 | Human | 7.5 | pKi | = | 7.5 | Binding | PDSP KiDatabase | 249 | 8 | 2 | 3 | 2.2 | C=CCc1ccccc1OCC(CNC(C)C)O | None | |||
| 71149 | 223177 | 0 | 125I-CYP | -3 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 262 | 3 | 2 | 4 | 1.9 | CC(C)(C)NCC(C1=CC(=NO1)Br)O | None | |||
| 3339 | 210420 | 117 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | None | |||
| CHEMBL672 | 210420 | 117 | None | -10 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 360 | 6 | 0 | 4 | 4.7 | CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | None | |||
| 176 | 7186 | 66 | None | -10 | 31 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 2157 | 7186 | 66 | None | -10 | 31 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 2566 | 7186 | 66 | None | -10 | 31 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| CHEMBL633 | 7186 | 66 | None | -10 | 31 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| DB01118 | 7186 | 66 | None | -10 | 31 | Human | 8.4 | pKi | = | 8.4 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | |||
| 64143 | 205643 | 62 | None | -1 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | |||
| CHEMBL584 | 205643 | 62 | None | -1 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 567 | 9 | 4 | 6 | 4.7 | Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C | None | |||
| 105 | 10234 | 91 | 125I-ICYP | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 2083 | 10234 | 91 | 125I-ICYP | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 558 | 10234 | 91 | 125I-ICYP | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| CHEMBL714 | 10234 | 91 | 125I-ICYP | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| DB01001 | 10234 | 91 | 125I-ICYP | -5 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 239 | 4 | 4 | 4 | 1.3 | OCc1cc(ccc1O)C(CNC(C)(C)C)O | None | |||
| 1212 | 8443 | 50 | None | -630 | 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 | 8443 | 50 | None | -630 | 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 | 8443 | 50 | None | -630 | 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 | 8443 | 50 | None | -630 | 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 | 8443 | 50 | None | -630 | 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 | |||
| 28417 | 46813 | 49 | None | -2 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| CHEMBL1479 | 46813 | 49 | None | -2 | 12 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 0 | 1 | 3 | 4.2 | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C | None | |||
| 2662 | 18156 | 131 | None | 1 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| CHEMBL118 | 18156 | 131 | None | 1 | 30 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 381 | 3 | 1 | 4 | 3.5 | Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 | None | |||
| None | 223176 | 0 | 125I-CYP | 21 | 3 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 363 | 9 | 3 | 4 | 3.1 | CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CC(=CC=C2)Cl)O | None | |||
| 484 | 9633 | 51 | 125I-CYP | -42 | 35 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 951 | 9633 | 51 | 125I-CYP | -42 | 35 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| CHEMBL432 | 9633 | 51 | 125I-CYP | -42 | 35 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 169 | 2 | 4 | 4 | 0.1 | NCC(c1ccc(c(c1)O)O)O | None | |||
| 2176 | 9901 | 68 | 125I-CYP | -151 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 4828 | 9901 | 68 | 125I-CYP | -151 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 91 | 9901 | 68 | 125I-CYP | -151 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| CHEMBL500 | 9901 | 68 | 125I-CYP | -151 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| DB00960 | 9901 | 68 | 125I-CYP | -151 | 27 | Human | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | None | |||
| 2405 | 7452 | 76 | None | -32 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 380 | 7452 | 76 | None | -32 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 7129 | 7452 | 76 | None | -32 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| CHEMBL645 | 7452 | 76 | None | -32 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| DB00612 | 7452 | 76 | None | -32 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 2247 | 7293 | 81 | None | -102 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 249 | 7293 | 81 | None | -102 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 2603 | 7293 | 81 | None | -102 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| CHEMBL296419 | 7293 | 81 | None | -102 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| DB00637 | 7293 | 81 | None | -102 | 42 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 458 | 8 | 1 | 5 | 5.4 | COc1ccc(cc1)CCN1CCC(CC1)Nc1nc2c(n1Cc1ccc(cc1)F)cccc2 | None | |||
| 1016 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | 10519 | 78 | None | -33 | 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 | |||
| 11504295 | 9697 | 47 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| 4814 | 9697 | 47 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| 7543 | 9697 | 47 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| CHEMBL605846 | 9697 | 47 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| DB09080 | 9697 | 47 | None | 1 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 386 | 7 | 4 | 6 | 2.4 | COc1ccc(cc1)CC(NC[C@@H](c1cc(O)cc2c1OCC(=O)N2)O)(C)C | None | |||
| 2812 | 11551 | 101 | None | -35 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| CHEMBL104 | 11551 | 101 | None | -35 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | |||
| 1499 | 8872 | 47 | None | -44 | 17 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 1499 | 8872 | 47 | None | -23 | 17 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 3779 | 8872 | 47 | None | -44 | 17 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 3779 | 8872 | 47 | None | -23 | 17 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 536 | 8872 | 47 | None | -44 | 17 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 536 | 8872 | 47 | None | -23 | 17 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| CHEMBL434 | 8872 | 47 | None | -44 | 17 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| CHEMBL434 | 8872 | 47 | None | -23 | 17 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| DB01064 | 8872 | 47 | None | -44 | 17 | Mouse | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| DB01064 | 8872 | 47 | None | -23 | 17 | Rat | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | None | |||
| 3198 | 212292 | 76 | None | -31 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL1201049 | 212292 | 76 | None | -31 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| CHEMBL808 | 212292 | 76 | None | -31 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 380 | 6 | 0 | 3 | 5.8 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | None | |||
| 1548955 | 95356 | 20 | None | -1 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 2800 | 95356 | 20 | None | -1 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| CHEMBL2355051 | 95356 | 20 | None | -1 | 18 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 9 | 0 | 2 | 6.6 | CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1 | None | |||
| 4189 | 213701 | 96 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL1559 | 213701 | 96 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL91 | 213701 | 96 | None | -28 | 34 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 414 | 6 | 0 | 3 | 6.5 | Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 657255 | 205863 | 34 | None | -21 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | |||
| CHEMBL588119 | 205863 | 34 | None | -21 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 337 | 12 | 2 | 3 | 5.6 | CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1 | None | |||
| 5353853 | 24758 | 47 | None | -25 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 9556529 | 24758 | 47 | None | -25 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| CHEMBL1262 | 24758 | 47 | None | -25 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 427 | 6 | 0 | 4 | 6.1 | Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 | None | |||
| 2540 | 11173 | 111 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | None | |||
| CHEMBL1014 | 11173 | 111 | None | 1 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | None | |||
| 3083544 | 33582 | 51 | 125I-ICYP | -43 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1200811 | 33582 | 51 | 125I-ICYP | -43 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1363 | 33582 | 51 | 125I-ICYP | -43 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1951071 | 33582 | 51 | 125I-ICYP | -43 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL605993 | 33582 | 51 | 125I-ICYP | -43 | 5 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| 1836 | 9370 | 59 | None | -61 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| 3340 | 9370 | 59 | None | -61 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| 5281040 | 9370 | 59 | None | -61 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| CHEMBL787 | 9370 | 59 | None | -61 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| DB00471 | 9370 | 59 | None | -61 | 15 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 585 | 12 | 2 | 4 | 8.9 | OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1 | None | |||
| 2419 | 10236 | 84 | 125I-ICYP | -53 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 5152 | 10236 | 84 | 125I-ICYP | -53 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 559 | 10236 | 84 | 125I-ICYP | -53 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| CHEMBL1263 | 10236 | 84 | 125I-ICYP | -53 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| DB00938 | 10236 | 84 | 125I-ICYP | -53 | 6 | Human | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 107715 | 207724 | 22 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL1255837 | 207724 | 22 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| CHEMBL601773 | 207724 | 22 | None | -281 | 20 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 611 | 5 | 3 | 6 | 2.7 | CC(C)[C@@]1(NC(=O)[C@@H]2C[C@@H]3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O | None | |||
| 118422671 | 9533 | 65 | None | -19 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 1887 | 9533 | 65 | None | -19 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 71301 | 9533 | 65 | None | -19 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 7246 | 9533 | 65 | None | -19 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| CHEMBL434394 | 9533 | 65 | None | -19 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| DB04861 | 9533 | 65 | None | -19 | 4 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | None | |||
| 3191 | 109635 | 97 | None | -20 | 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 | 109635 | 97 | None | -20 | 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 | |||
| 134551 | 7146 | 27 | None | -79 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 271 | 7146 | 27 | None | -79 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 885 | 7146 | 27 | None | -79 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| CHEMBL1403281 | 7146 | 27 | None | -79 | 21 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 575 | 5 | 3 | 6 | 2.4 | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)C(C)C)O)C | None | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 33630 | 185736 | 99 | None | -10 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | |||
| CHEMBL47050 | 185736 | 99 | None | -10 | 28 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 523 | 7 | 1 | 2 | 7.5 | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 | None | |||
| 3914 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 39468 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 431 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 570 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL1201237 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL293030 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| DB01210 | 7527 | 35 | None | -42 | 7 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 11823027 | 199395 | 37 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| 4411 | 199395 | 37 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| CHEMBL521606 | 199395 | 37 | None | 1 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 309 | 5 | 4 | 5 | 0.6 | CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2 | None | |||
| 3914 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 39468 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 431 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 570 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL1201237 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL293030 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| DB01210 | 7527 | 35 | None | -36 | 7 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 44112 | 128068 | 48 | None | -7 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
| CHEMBL357995 | 128068 | 48 | None | -7 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 380 | 7 | 2 | 4 | 4.5 | Cc1cc2c(OCC(CNC(C)(C)C)OC(=O)c3ccccc3)cccc2[nH]1 | None | |||
| 33624 | 10593 | 34 | None | -87 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 4061 | 10593 | 34 | None | -87 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 565 | 10593 | 34 | None | -87 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| CHEMBL499 | 10593 | 34 | None | -87 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| DB00373 | 10593 | 34 | None | -87 | 9 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 316 | 6 | 2 | 8 | 0.5 | O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C | None | |||
| 2291 | 9958 | 58 | None | -8 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 2561 | 9958 | 58 | None | -8 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 4932 | 9958 | 58 | None | -8 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| CHEMBL631 | 9958 | 58 | None | -8 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| DB01182 | 9958 | 58 | None | -8 | 12 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 341 | 11 | 2 | 4 | 3.2 | CCCNCC(COc1ccccc1C(=O)CCc1ccccc1)O | None | |||
| 3914 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 39468 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 431 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 570 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL1201237 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| CHEMBL293030 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| DB01210 | 7527 | 35 | None | -45 | 7 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | None | |||
| 2303 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 4946 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 564 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 63 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 91536 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL27 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| CHEMBL452861 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| DB00571 | 9961 | 68 | None | -93 | 26 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | None | |||
| 3682 | 196216 | 12 | 125I-CYP | -1202 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
| CHEMBL1256784 | 196216 | 12 | 125I-CYP | -1202 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
| CHEMBL513389 | 196216 | 12 | 125I-CYP | -1202 | 8 | Human | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | 277 | 6 | 2 | 3 | 2.6 | Cc1ccc(OCC(O)C(C)NC(C)C)c2c1CCC2 | None | |||
| 2605 | 10555 | 30 | None | -5 | 10 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 2605 | 10555 | 30 | None | -5 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 36920 | 10555 | 30 | None | -5 | 10 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 36920 | 10555 | 30 | None | -5 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 571 | 10555 | 30 | None | -5 | 10 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 571 | 10555 | 30 | None | -5 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| CHEMBL434200 | 10555 | 30 | None | -5 | 10 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| CHEMBL434200 | 10555 | 30 | None | -5 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| DB13775 | 10555 | 30 | None | -5 | 10 | Mouse | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| DB13775 | 10555 | 30 | None | -5 | 10 | Rat | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 2475 | 7528 | 0 | None | -9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| 433 | 7528 | 0 | None | -9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| 550 | 7528 | 0 | None | -9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| CHEMBL305380 | 7528 | 0 | None | -9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| DB08808 | 7528 | 0 | None | -9 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | None | |||
| 487 | 7580 | 71 | None | -112 | 7 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 487 | 7580 | 71 | None | -112 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 569 | 7580 | 71 | None | -112 | 7 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 569 | 7580 | 71 | None | -112 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 71739 | 7580 | 71 | None | -112 | 7 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 71739 | 7580 | 71 | None | -112 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| CHEMBL324665 | 7580 | 71 | None | -112 | 7 | Mouse | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| CHEMBL324665 | 7580 | 71 | None | -112 | 7 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 2419 | 10236 | 84 | 125I-CYP | -53 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 5152 | 10236 | 84 | 125I-CYP | -53 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 559 | 10236 | 84 | 125I-CYP | -53 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| CHEMBL1263 | 10236 | 84 | 125I-CYP | -53 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| DB00938 | 10236 | 84 | 125I-CYP | -53 | 6 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 415 | 16 | 4 | 5 | 4.1 | OCc1cc(ccc1O)C(CNCCCCCCOCCCCc1ccccc1)O | None | |||
| 2687 | 7676 | 16 | 125I-CYP | -158 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
| 532 | 7676 | 16 | 125I-CYP | -158 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
| 5387 | 7676 | 16 | 125I-CYP | -158 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
| CHEMBL420746 | 7676 | 16 | 125I-CYP | -158 | 5 | Human | 7.1 | pKi | = | 7.1 | Binding | PDSP KiDatabase | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | None | |||
| 2605 | 10555 | 30 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 36920 | 10555 | 30 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 571 | 10555 | 30 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| CHEMBL434200 | 10555 | 30 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| DB13775 | 10555 | 30 | None | 1 | 10 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | None | |||
| 487 | 7580 | 71 | None | -52 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 569 | 7580 | 71 | None | -52 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 71739 | 7580 | 71 | None | -52 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| CHEMBL324665 | 7580 | 71 | None | -52 | 7 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | None | |||
| 3083544 | 33582 | 51 | 125I-CYP | -43 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1200811 | 33582 | 51 | 125I-CYP | -43 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1363 | 33582 | 51 | 125I-CYP | -43 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL1951071 | 33582 | 51 | 125I-CYP | -43 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| CHEMBL605993 | 33582 | 51 | 125I-CYP | -43 | 5 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 344 | 9 | 4 | 5 | 2.2 | COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 | None | |||
| 2585 | 7590 | 103 | None | -16 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 522 | 7590 | 103 | None | -16 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 551 | 7590 | 103 | None | -16 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| CHEMBL723 | 7590 | 103 | None | -16 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| DB01136 | 7590 | 103 | None | -16 | 22 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | None | |||
| 2405 | 7452 | 76 | 125I-CYP | -32 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 380 | 7452 | 76 | 125I-CYP | -32 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 7129 | 7452 | 76 | 125I-CYP | -32 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| CHEMBL645 | 7452 | 76 | 125I-CYP | -32 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| DB00612 | 7452 | 76 | 125I-CYP | -32 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | PDSP KiDatabase | 325 | 12 | 2 | 5 | 2.4 | OC(COc1ccc(cc1)COCCOC(C)C)CNC(C)C | None | |||
| 118422671 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 118422671 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | |||
| 1887 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 1887 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | |||
| 71301 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 71301 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | |||
| 7246 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| 7246 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | |||
| CHEMBL434394 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| CHEMBL434394 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | |||
| DB04861 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 20590599 | |||
| DB04861 | 9533 | 65 | None | -19 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 21172342 | |||
| 1960 | 9632 | 67 | None | -32359 | 26 | Mouse | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 439260 | 9632 | 67 | None | -32359 | 26 | Mouse | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 505 | 9632 | 67 | None | -32359 | 26 | Mouse | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| CHEMBL1437 | 9632 | 67 | None | -32359 | 26 | Mouse | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| DB00368 | 9632 | 67 | None | -32359 | 26 | Mouse | 3.8 | pKi | = | 3.8 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 1960 | 9632 | 67 | None | -12882 | 26 | Rat | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 439260 | 9632 | 67 | None | -12882 | 26 | Rat | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 505 | 9632 | 67 | None | -12882 | 26 | Rat | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| CHEMBL1437 | 9632 | 67 | None | -12882 | 26 | Rat | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| DB00368 | 9632 | 67 | None | -12882 | 26 | Rat | 4.2 | pKi | = | 4.2 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 1028 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 1028 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 139148732 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 139148732 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 479 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 479 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 5816 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 5816 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| CHEMBL679 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| CHEMBL679 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| DB00668 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| DB00668 | 7079 | 71 | None | -4168 | 30 | Human | 4.3 | pKi | = | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNC[C@@H](c1ccc(c(c1)O)O)O | 20590599 | |||
| 146015362 | 7734 | 10 | None | -8 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 11249148 | |||
| 3462 | 7734 | 10 | None | -8 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 11249148 | |||
| 5486546 | 7734 | 10 | None | -8 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 11249148 | |||
| CHEMBL1204876 | 7734 | 10 | None | -8 | 3 | Human | 5.2 | pKi | = | 5.2 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 11249148 | |||
| 12578 | 7723 | 61 | None | -19 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
| 2755 | 7723 | 61 | None | -19 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
| CHEMBL1374751 | 7723 | 61 | None | -19 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | Guide to Pharmacology | 219 | 4 | 3 | 4 | 1.2 | CC(C)NCC(C1=CC(=C(C=C1)N)C#N)O | 20590599 | |||
| 2685 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
| 2685 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
| 2685 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
| 2685 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 8719421 | |||
| 541 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
| 541 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
| 541 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
| 541 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 8719421 | |||
| CHEMBL280822 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10079020 | |||
| CHEMBL280822 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 10411574 | |||
| CHEMBL280822 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 15655528 | |||
| CHEMBL280822 | 7677 | 21 | None | -2630 | 7 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 494 | 11 | 4 | 8 | 2.3 | OC(COc1ccc(cc1)c1nc(cn1C)C(F)(F)F)CNCCOc1ccc(c(c1)C(=O)N)O | 8719421 | |||
| 1155 | 8410 | 53 | None | -26 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| 3343 | 8410 | 53 | None | -26 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| 557 | 8410 | 53 | None | -26 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| CHEMBL32800 | 8410 | 53 | None | -26 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| DB01288 | 8410 | 53 | None | -26 | 5 | Human | 5.4 | pKi | = | 5.4 | Binding | Guide to Pharmacology | 303 | 6 | 5 | 5 | 2.1 | CC(Cc1ccc(cc1)O)NCC(c1cc(O)cc(c1)O)O | 20590599 | |||
| 1960 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 1960 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 1960 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9131260 | |||
| 439260 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 439260 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 439260 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9131260 | |||
| 505 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| 505 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| 505 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9131260 | |||
| CHEMBL1437 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| CHEMBL1437 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| CHEMBL1437 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9131260 | |||
| DB00368 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14730417 | |||
| DB00368 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 14744619 | |||
| DB00368 | 9632 | 67 | None | -26 | 26 | Human | 5.5 | pKi | = | 5.5 | Binding | Guide to Pharmacology | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | 9131260 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14730417 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9117106 | |||
| 1499 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9131260 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14730417 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9117106 | |||
| 3779 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9131260 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14730417 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9117106 | |||
| 536 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9131260 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14730417 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9117106 | |||
| CHEMBL434 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9131260 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14730417 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 20590599 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8982677 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9117106 | |||
| DB01064 | 8872 | 47 | None | -588 | 17 | Human | 5.7 | pKi | = | 5.7 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 9131260 | |||
| 146015362 | 7734 | 10 | None | 8 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | |||
| 3462 | 7734 | 10 | None | 8 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | |||
| 5486546 | 7734 | 10 | None | 8 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | |||
| CHEMBL1204876 | 7734 | 10 | None | 8 | 3 | Mouse | 5.9 | pKi | = | 5.9 | Binding | Guide to Pharmacology | 421 | 8 | 4 | 6 | 2.2 | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)O)C(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 17717109 | |||
| 5311179 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | |||
| 5311179 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 14730417 | |||
| 5311179 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | |||
| 5311179 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 8719421 | |||
| 543 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | |||
| 543 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 14730417 | |||
| 543 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | |||
| 543 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 8719421 | |||
| 5484725 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | |||
| 5484725 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 14730417 | |||
| 5484725 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | |||
| 5484725 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 8719421 | |||
| CHEMBL1233766 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | |||
| CHEMBL1233766 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 14730417 | |||
| CHEMBL1233766 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | |||
| CHEMBL1233766 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 8719421 | |||
| CHEMBL198059 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 10079020 | |||
| CHEMBL198059 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 14730417 | |||
| CHEMBL198059 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 15655528 | |||
| CHEMBL198059 | 8755 | 21 | None | -295 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | Guide to Pharmacology | 277 | 6 | 2 | 3 | 2.6 | Cc1c2CCCc2c(cc1)OC[C@H]([C@H](C)NC(C)C)O | 8719421 | |||
| 3914 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 39468 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 431 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 570 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| CHEMBL1201237 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| CHEMBL293030 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| DB01210 | 7527 | 35 | None | -42 | 7 | Mouse | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 39147 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| 39147 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | |||
| 554 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| 554 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | |||
| CHEMBL649 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| CHEMBL649 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | |||
| DB01203 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 10411574 | |||
| DB01203 | 9489 | 0 | None | -35 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | Guide to Pharmacology | 309 | 5 | 4 | 5 | 0.6 | OC(COc1cccc2c1C[C@H](O)[C@@H](C2)O)CNC(C)(C)C | 15655528 | |||
| 3914 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 39468 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 431 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 570 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| CHEMBL1201237 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| CHEMBL293030 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| DB01210 | 7527 | 35 | None | -36 | 7 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 2303 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 4946 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 564 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 63 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 91536 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| CHEMBL27 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| CHEMBL452861 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| DB00571 | 9961 | 68 | None | -870 | 26 | Rat | 6.4 | pKi | = | 6.4 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 567 | 7512 | 16 | None | 1 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| 9841972 | 7512 | 16 | None | 1 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| CHEMBL284782 | 7512 | 16 | None | 1 | 5 | Mouse | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| 2303 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 4946 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 564 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 63 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 91536 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| CHEMBL27 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| CHEMBL452861 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| DB00571 | 9961 | 68 | None | -93 | 26 | Mouse | 6.6 | pKi | = | 6.6 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 2687 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| 2687 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 7903415 | |||
| 2687 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 2687 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 9117106 | |||
| 532 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| 532 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 7903415 | |||
| 532 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 532 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 9117106 | |||
| 5387 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| 5387 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 7903415 | |||
| 5387 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 5387 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 9117106 | |||
| CHEMBL420746 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 10079020 | |||
| CHEMBL420746 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 7903415 | |||
| CHEMBL420746 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| CHEMBL420746 | 7676 | 16 | None | -158 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 9117106 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 14730417 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 7912272 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 14730417 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 7912272 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 14730417 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 7912272 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Human | 6.7 | pKi | = | 6.7 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 2303 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 4946 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 564 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 63 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| 91536 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| CHEMBL27 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| CHEMBL452861 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 10079020 | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 14744619 | |||
| DB00571 | 9961 | 68 | None | -213 | 26 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 259 | 6 | 2 | 3 | 2.6 | O[C@H](COc1cccc2c1cccc2)CNC(C)C | 15655528 | |||
| 3914 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 39468 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 431 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 570 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| CHEMBL1201237 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| CHEMBL293030 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| DB01210 | 7527 | 35 | None | -45 | 7 | Human | 6.8 | pKi | = | 6.8 | Binding | Guide to Pharmacology | 291 | 5 | 2 | 4 | 2.3 | CC(C)(C)NCC(COC1=CC=CC2=C1CCCC2=O)O | 14744619 | |||
| 2475 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| 2475 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| 2475 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 7903415 | |||
| 2475 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 8719421 | |||
| 433 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| 433 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| 433 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 7903415 | |||
| 433 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 8719421 | |||
| 550 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| 550 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| 550 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 7903415 | |||
| 550 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 8719421 | |||
| CHEMBL305380 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| CHEMBL305380 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| CHEMBL305380 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 7903415 | |||
| CHEMBL305380 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 8719421 | |||
| DB08808 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10079020 | |||
| DB08808 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 10411574 | |||
| DB08808 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 7903415 | |||
| DB08808 | 7528 | 0 | None | -9 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 271 | 5 | 2 | 3 | 2.8 | OC(COc1cc(C)ccc1Cl)CNC(C)(C)C | 8719421 | |||
| 2176 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 4828 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 91 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| CHEMBL500 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| DB00960 | 9901 | 68 | None | -151 | 27 | Human | 7.1 | pKi | = | 7.1 | Binding | Guide to Pharmacology | 248 | 6 | 3 | 3 | 1.9 | OC(COc1cccc2c1cc[nH]2)CNC(C)C | 20590599 | |||
| 5311452 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
| 5311452 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 14730417 | |||
| 5311452 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
| 5311452 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 8730727 | |||
| 547 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
| 547 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 14730417 | |||
| 547 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
| 547 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 8730727 | |||
| CHEMBL1326499 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 10411574 | |||
| CHEMBL1326499 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 14730417 | |||
| CHEMBL1326499 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 20590599 | |||
| CHEMBL1326499 | 10443 | 11 | None | -17 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | 325 | 7 | 2 | 3 | 3.7 | CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O | 8730727 | |||
| 10028830 | 9026 | 40 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10411574 | |||
| 10028830 | 9026 | 40 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | |||
| 3932 | 9026 | 40 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10411574 | |||
| 3932 | 9026 | 40 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | |||
| CHEMBL4238084 | 9026 | 40 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10411574 | |||
| CHEMBL4238084 | 9026 | 40 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 497 | 13 | 4 | 6 | 2.7 | O[C@H](COc1cccc(c1)CNC(=O)C)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | |||
| 487 | 7580 | 71 | None | -52 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| 569 | 7580 | 71 | None | -52 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| 71739 | 7580 | 71 | None | -52 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| CHEMBL324665 | 7580 | 71 | None | -52 | 7 | Human | 8.4 | pKi | = | 8.4 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 20590599 | |||
| 10323892 | 9025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 505 | 12 | 4 | 7 | 1.7 | O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10411574 | |||
| 10323892 | 9025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 505 | 12 | 4 | 7 | 1.7 | O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | |||
| 3463 | 9025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 505 | 12 | 4 | 7 | 1.7 | O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10411574 | |||
| 3463 | 9025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 505 | 12 | 4 | 7 | 1.7 | O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | |||
| CHEMBL1628562 | 9025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 505 | 12 | 4 | 7 | 1.7 | O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 10411574 | |||
| CHEMBL1628562 | 9025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | 505 | 12 | 4 | 7 | 1.7 | O[C@H](COc1cccc(c1)S(=O)(=O)N)CNCCc1ccc(cc1)NS(=O)(=O)c1ccccc1 | 20590599 | |||
| 2585 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| 2585 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| 522 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| 522 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| 551 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| 551 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| CHEMBL723 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| CHEMBL723 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| DB01136 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 10411574 | |||
| DB01136 | 7590 | 103 | None | -16 | 22 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 406 | 10 | 3 | 5 | 3.7 | COc1ccccc1OCCNCC(COc1cccc2c1c1ccccc1[nH]2)O | 15655528 | |||
| 1960 | 9632 | 67 | None | -26 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 439260 | 9632 | 67 | None | -26 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 505 | 9632 | 67 | None | -26 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| CHEMBL1437 | 9632 | 67 | None | -26 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| DB00368 | 9632 | 67 | None | -26 | 26 | Human | 8.3 | pKi | None | 8.3 | Binding | Drug Central | 169 | 2 | 4 | 4 | 0.1 | NC[C@@H](c1ccc(c(c1)O)O)O | None | |||
| 4508 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 14730417 | |||
| 4508 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 7903415 | |||
| 4508 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 4866774 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 14730417 | |||
| 4866774 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 7903415 | |||
| 4866774 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 509 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 14730417 | |||
| 509 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 7903415 | |||
| 509 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 838 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 14730417 | |||
| 838 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 7903415 | |||
| 838 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| CHEMBL1740 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 14730417 | |||
| CHEMBL1740 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 7903415 | |||
| CHEMBL1740 | 9913 | 98 | None | -10000 | 13 | Human | 4.3 | pKi | None | 4.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 1499 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| 1499 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 3779 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| 3779 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 536 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| 536 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| CHEMBL434 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| CHEMBL434 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| DB01064 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 14744619 | |||
| DB01064 | 8872 | 47 | None | -44 | 17 | Mouse | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 3035442 | 7184 | 0 | None | - | 1 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 403 | 8 | 2 | 5 | 3.5 | CCOC(=O)COc1ccc2c(c1)C[C@H](CC2)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| 568 | 7184 | 0 | None | - | 1 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 403 | 8 | 2 | 5 | 3.5 | CCOC(=O)COc1ccc2c(c1)C[C@H](CC2)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| CHEMBL1193948 | 7184 | 0 | None | - | 1 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 403 | 8 | 2 | 5 | 3.5 | CCOC(=O)COc1ccc2c(c1)C[C@H](CC2)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| DB05395 | 7184 | 0 | None | - | 1 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | 403 | 8 | 2 | 5 | 3.5 | CCOC(=O)COc1ccc2c(c1)C[C@H](CC2)NC[C@@H](c1cccc(c1)Cl)O | 7903415 | |||
| 1499 | 8872 | 47 | None | -23 | 17 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 3779 | 8872 | 47 | None | -23 | 17 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 536 | 8872 | 47 | None | -23 | 17 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| CHEMBL434 | 8872 | 47 | None | -23 | 17 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| DB01064 | 8872 | 47 | None | -23 | 17 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 211 | 4 | 4 | 4 | 1.1 | CC(NCC(c1ccc(c(c1)O)O)O)C | 8719421 | |||
| 4508 | 9913 | 98 | None | -1000 | 13 | Mouse | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 4508 | 9913 | 98 | None | -1000 | 13 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 4866774 | 9913 | 98 | None | -1000 | 13 | Mouse | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 4866774 | 9913 | 98 | None | -1000 | 13 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 509 | 9913 | 98 | None | -1000 | 13 | Mouse | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 509 | 9913 | 98 | None | -1000 | 13 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 838 | 9913 | 98 | None | -1000 | 13 | Mouse | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 838 | 9913 | 98 | None | -1000 | 13 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| CHEMBL1740 | 9913 | 98 | None | -1000 | 13 | Mouse | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| CHEMBL1740 | 9913 | 98 | None | -1000 | 13 | Rat | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 183 | 3 | 4 | 4 | 0.4 | CNCC(c1ccc(c(c1)O)O)O | 8719421 | |||
| 567 | 7512 | 16 | None | -1 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| 9841972 | 7512 | 16 | None | -1 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| CHEMBL284782 | 7512 | 16 | None | -1 | 5 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 363 | 9 | 3 | 4 | 3.1 | C[C@H](Cc1ccc(cc1)OCC(=O)O)NC[C@@H](c1cccc(c1)Cl)O | 8719421 | |||
| 2687 | 7676 | 16 | None | -218 | 5 | Mouse | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 2687 | 7676 | 16 | None | -218 | 5 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 532 | 7676 | 16 | None | -218 | 5 | Mouse | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 532 | 7676 | 16 | None | -218 | 5 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 5387 | 7676 | 16 | None | -218 | 5 | Mouse | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 5387 | 7676 | 16 | None | -218 | 5 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| CHEMBL420746 | 7676 | 16 | None | -218 | 5 | Mouse | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| CHEMBL420746 | 7676 | 16 | None | -218 | 5 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 279 | 5 | 4 | 4 | 1.0 | OC(COc1cccc2c1[nH]c(=O)[nH]2)CNC(C)(C)C | 8719421 | |||
| 2605 | 10555 | 30 | None | -5 | 10 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 2605 | 10555 | 30 | None | -5 | 10 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 36920 | 10555 | 30 | None | -5 | 10 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 36920 | 10555 | 30 | None | -5 | 10 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 571 | 10555 | 30 | None | -5 | 10 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 571 | 10555 | 30 | None | -5 | 10 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| CHEMBL434200 | 10555 | 30 | None | -5 | 10 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| CHEMBL434200 | 10555 | 30 | None | -5 | 10 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| DB13775 | 10555 | 30 | None | -5 | 10 | Mouse | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| DB13775 | 10555 | 30 | None | -5 | 10 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 487 | 7580 | 71 | None | -112 | 7 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| 487 | 7580 | 71 | None | -112 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| 569 | 7580 | 71 | None | -112 | 7 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| 569 | 7580 | 71 | None | -112 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| 71739 | 7580 | 71 | None | -112 | 7 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| 71739 | 7580 | 71 | None | -112 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| CHEMBL324665 | 7580 | 71 | None | -112 | 7 | Mouse | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| CHEMBL324665 | 7580 | 71 | None | -112 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | 298 | 6 | 3 | 3 | 3.1 | OC(COc1cccc2c1c1ccccc1[nH]2)CNC(C)C | 8719421 | |||
| 2605 | 10555 | 30 | None | 1 | 10 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 36920 | 10555 | 30 | None | 1 | 10 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| 571 | 10555 | 30 | None | 1 | 10 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| CHEMBL434200 | 10555 | 30 | None | 1 | 10 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||
| DB13775 | 10555 | 30 | None | 1 | 10 | Human | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | 295 | 5 | 2 | 4 | 2.9 | OC(COc1cccc2c1SCCC2)CNC(C)(C)C | 14744619 | |||