Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 60096224 | 156521 | 0 | None | 43 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4068189 | 156521 | 0 | None | 43 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096231 | 157631 | 15 | None | 48 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4081453 | 157631 | 15 | None | 48 | 4 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096201 | 158544 | 0 | None | 5 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4091735 | 158544 | 0 | None | 5 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096178 | 156857 | 0 | None | 10 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4071962 | 156857 | 0 | None | 10 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 10353365 | 83218 | 1 | None | -13 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL218710 | 83218 | 1 | None | -13 | 3 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 10807972 | 35787 | 1 | None | -6 | 4 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm000346k | ||
| CHEMBL144151 | 35787 | 1 | None | -6 | 4 | Rat | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm000346k | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 71135411 | 123371 | 0 | None | -5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616848 | 123371 | 0 | None | -5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 49858118 | 1103 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 324 | 3 | 2 | 5 | 2.7 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC | 10.1021/jm101069m | ||
| 6224 | 1103 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 324 | 3 | 2 | 5 | 2.7 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC | 10.1021/jm101069m | ||
| CHEMBL1630807 | 1103 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 324 | 3 | 2 | 5 | 2.7 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC | 10.1021/jm101069m | ||
| 71135411 | 123371 | 0 | None | -5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616848 | 123371 | 0 | None | -5 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 44361401 | 31311 | 0 | None | -1 | 5 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 175 | 3 | 4 | 4 | -1.9 | N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O | 10.1021/jm030967o | ||
| CHEMBL140197 | 31311 | 0 | None | -1 | 5 | Rat | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 175 | 3 | 4 | 4 | -1.9 | N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O | 10.1021/jm030967o | ||
| 60096231 | 157631 | 15 | None | 48 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4081453 | 157631 | 15 | None | 48 | 4 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 | 10.1021/acs.jmedchem.7b01481 | ||
| 71137011 | 123381 | 0 | None | -58 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616858 | 123381 | 0 | None | -58 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 49836087 | 1056 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 2 | 2 | 4 | 3.3 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl | 10.1021/jm101069m | ||
| 6222 | 1056 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 2 | 2 | 4 | 3.3 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl | 10.1021/jm101069m | ||
| CHEMBL1630805 | 1056 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 328 | 2 | 2 | 4 | 3.3 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl | 10.1021/jm101069m | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 67973913 | 137050 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 333 | 4 | 0 | 4 | 3.4 | Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3747073 | 137050 | 0 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 333 | 4 | 0 | 4 | 3.4 | Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| 1392 | 73 | 48 | None | -5 | 4 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(01)00329-8 | ||
| 5310984 | 73 | 48 | None | -5 | 4 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL40086 | 73 | 48 | None | -5 | 4 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(01)00329-8 | ||
| 90643858 | 111839 | 0 | None | -25 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 430 | 12 | 2 | 6 | 4.9 | COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287695 | 111839 | 0 | None | -25 | 2 | Rat | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 430 | 12 | 2 | 6 | 4.9 | COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 60096211 | 90030 | 0 | None | 1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL2381649 | 90030 | 0 | None | 1 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096190 | 158489 | 0 | None | 9 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(F)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4091203 | 158489 | 0 | None | 9 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(F)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 1395 | 2511 | 15 | None | -3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 9837317 | 2511 | 15 | None | -3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| CHEMBL121053 | 2511 | 15 | None | -3 | 4 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 1395 | 2511 | 15 | None | -3 | 4 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1021/jm000346k | ||
| 9837317 | 2511 | 15 | None | -3 | 4 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1021/jm000346k | ||
| CHEMBL121053 | 2511 | 15 | None | -3 | 4 | Rat | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1021/jm000346k | ||
| 60096228 | 156763 | 0 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(O)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4070866 | 156763 | 0 | None | 2 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(O)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096246 | 155923 | 0 | None | 6 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)cc1 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4061162 | 155923 | 0 | None | 6 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)cc1 | 10.1021/acs.jmedchem.7b01481 | ||
| 1377 | 1328 | 26 | None | -1 | 8 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/jm030967o | ||
| 5310979 | 1328 | 26 | None | -1 | 8 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/jm030967o | ||
| CHEMBL284193 | 1328 | 26 | None | -1 | 8 | Rat | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/jm030967o | ||
| 10353365 | 83218 | 1 | None | -13 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL218710 | 83218 | 1 | None | -13 | 3 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71136653 | 123377 | 0 | None | -51 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616854 | 123377 | 0 | None | -51 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71136640 | 123376 | 0 | None | -60 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616853 | 123376 | 0 | None | -60 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm970719q | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm970719q | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm970719q | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm970719q | ||
| 11275666 | 90028 | 1 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL2381647 | 90028 | 1 | None | -1 | 3 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1016/s0960-894x(99)00266-8 | ||
| 71131322 | 123380 | 0 | None | -43 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616857 | 123380 | 0 | None | -43 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 71136655 | 123375 | 0 | None | -12 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616852 | 123375 | 0 | None | -12 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 67973779 | 137079 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 338 | 4 | 0 | 5 | 2.7 | O=C1c2cc(COc3ccccn3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3747522 | 137079 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 338 | 4 | 0 | 5 | 2.7 | O=C1c2cc(COc3ccccn3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| 90098428 | 123379 | 0 | None | -60 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616856 | 123379 | 0 | None | -60 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 1392 | 73 | 48 | None | -9 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| 5310984 | 73 | 48 | None | -9 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| CHEMBL40086 | 73 | 48 | None | -9 | 4 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| 104766 | 34 | 42 | None | -8 | 14 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| 1365 | 34 | 42 | None | -8 | 14 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| CHEMBL34453 | 34 | 42 | None | -8 | 14 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| 44378268 | 120099 | 1 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CC[C@H](CP(=O)(O)C[C@H](CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| CHEMBL351166 | 120099 | 1 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CC[C@H](CP(=O)(O)C[C@H](CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| 72714783 | 137056 | 0 | None | -21 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 337 | 4 | 0 | 4 | 3.3 | O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3747116 | 137056 | 0 | None | -21 | 2 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 337 | 4 | 0 | 4 | 3.3 | O=C1c2cc(OCc3ccccc3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| 67974346 | 136956 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.4 | O=C1c2cc(COc3ccc(F)cc3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3745812 | 136956 | 0 | None | 3 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 355 | 4 | 0 | 4 | 3.4 | O=C1c2cc(COc3ccc(F)cc3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| 11344646 | 126750 | 1 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm040222y | ||
| CHEMBL365368 | 126750 | 1 | None | -2 | 3 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm040222y | ||
| 60096194 | 156564 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 0.3 | N[C@@]1(C(=O)O)C[C@H](NCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4068679 | 156564 | 0 | None | 1 | 2 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 290 | 5 | 4 | 4 | 0.3 | N[C@@]1(C(=O)O)C[C@H](NCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 44300820 | 13346 | 0 | None | 1 | 2 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 265 | 4 | 3 | 5 | -0.5 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccn2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1192558 | 13346 | 0 | None | 1 | 2 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 265 | 4 | 3 | 5 | -0.5 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccn2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL543811 | 13346 | 0 | None | 1 | 2 | Rat | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 265 | 4 | 3 | 5 | -0.5 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccn2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| 1393 | 1527 | 64 | None | -5 | 6 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 1396 | 1527 | 64 | None | -5 | 6 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 213056 | 1527 | 64 | None | -5 | 6 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| CHEMBL8759 | 1527 | 64 | None | -5 | 6 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| 10176324 | 114801 | 1 | None | -4 | 4 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 173 | 3 | 3 | 3 | -0.6 | C[C@H]1[C@H](C(=O)O)[C@H]1[C@H](N)C(=O)O | 10.1021/jm030967o | ||
| CHEMBL334160 | 114801 | 1 | None | -4 | 4 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 173 | 3 | 3 | 3 | -0.6 | C[C@H]1[C@H](C(=O)O)[C@H]1[C@H](N)C(=O)O | 10.1021/jm030967o | ||
| 4408 | 25102 | 23 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| CHEMBL134749 | 25102 | 23 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| 10197984 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 1394 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| CHEMBL275079 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 10197984 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1394 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| CHEMBL275079 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 10197984 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm060917u | ||
| 1394 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm060917u | ||
| CHEMBL275079 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm060917u | ||
| 11220424 | 158937 | 0 | None | 3 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 304 | 4 | 4 | 4 | -0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4095995 | 158937 | 0 | None | 3 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 304 | 4 | 4 | 4 | -0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 137659992 | 159212 | 0 | None | 8 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2Cl)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4098939 | 159212 | 0 | None | 8 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2Cl)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 9815616 | 114774 | 6 | None | 1 | 4 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm000346k | ||
| CHEMBL334014 | 114774 | 6 | None | 1 | 4 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm000346k | ||
| 4408 | 25102 | 23 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| CHEMBL134749 | 25102 | 23 | None | - | 1 | Human | 4.4 | pEC50 | = | 4.4 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| 9834591 | 137575 | 69 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 2 | 3 | 5 | -2.1 | N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL375611 | 137575 | 69 | None | -2 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 235 | 2 | 3 | 5 | -2.1 | N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 60096236 | 158398 | 0 | None | 3 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4090293 | 158398 | 0 | None | 3 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096250 | 158897 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4095567 | 158897 | 0 | None | 1 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 4408 | 25102 | 23 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| CHEMBL134749 | 25102 | 23 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 354 | 12 | 5 | 5 | 0.4 | O=C(O)CCC(CP(=O)(O)CC(CCC(=O)O)C(=O)O)C(=O)O | 10.1021/jm9905559 | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01124 | ||
| 10330132 | 101355 | 1 | None | -10 | 2 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 189 | 2 | 4 | 5 | -2.2 | NN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| CHEMBL297150 | 101355 | 1 | None | -10 | 2 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 189 | 2 | 4 | 5 | -2.2 | NN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O | 10.1016/s0960-894x(99)00266-8 | ||
| 127039660 | 136999 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.7 | O=C1c2cc(COc3ccccc3)nn2CCCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3746344 | 136999 | 0 | None | -3 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.7 | O=C1c2cc(COc3ccccc3)nn2CCCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 60096204 | 156100 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(F)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4063336 | 156100 | 0 | None | 2 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(F)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 1368 | 2277 | 37 | None | -1 | 11 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10.1021/jm030967o | ||
| 5310956 | 2277 | 37 | None | -1 | 11 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10.1021/jm030967o | ||
| CHEMBL280563 | 2277 | 37 | None | -1 | 11 | Rat | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10.1021/jm030967o | ||
| 1393 | 1527 | 64 | None | -5 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| 1396 | 1527 | 64 | None | -5 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| 213056 | 1527 | 64 | None | -5 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| CHEMBL8759 | 1527 | 64 | None | -5 | 6 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| 155518933 | 170322 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 6 | 1 | 3 | 4.3 | CNC(=O)N1CCCC(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1 | 10.1039/C8MD00524A | ||
| CHEMBL4447269 | 170322 | 0 | None | 1 | 3 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 421 | 6 | 1 | 3 | 4.3 | CNC(=O)N1CCCC(CN2CCC(OC(c3ccccc3)c3ccccc3)CC2)C1 | 10.1039/C8MD00524A | ||
| 67974411 | 137004 | 0 | None | -52 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 338 | 4 | 0 | 5 | 2.7 | O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cn1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3746457 | 137004 | 0 | None | -52 | 2 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 338 | 4 | 0 | 5 | 2.7 | O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cn1 | 10.1016/j.bmcl.2015.11.098 | ||
| 10474978 | 13427 | 0 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 309 | 5 | 3 | 6 | 0.0 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2[N+](=O)[O-])C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1193146 | 13427 | 0 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 309 | 5 | 3 | 6 | 0.0 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2[N+](=O)[O-])C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL544508 | 13427 | 0 | None | -1 | 2 | Rat | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | 309 | 5 | 3 | 6 | 0.0 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2[N+](=O)[O-])C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 44361401 | 31311 | 0 | None | -1 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 175 | 3 | 4 | 4 | -1.9 | N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O | 10.1021/jm030967o | ||
| CHEMBL140197 | 31311 | 0 | None | -1 | 5 | Rat | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 175 | 3 | 4 | 4 | -1.9 | N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O | 10.1021/jm030967o | ||
| 60096183 | 159260 | 0 | None | 3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccccc1C(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4099470 | 159260 | 0 | None | 3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccccc1C(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| 10198133 | 206485 | 12 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL8839 | 206485 | 12 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 10198133 | 206485 | 12 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| CHEMBL8839 | 206485 | 12 | None | -1 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| 71137012 | 123374 | 0 | None | -11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616851 | 123374 | 0 | None | -11 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 67974644 | 137097 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 337 | 4 | 0 | 4 | 3.3 | O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| CHEMBL3747735 | 137097 | 0 | None | -1 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 337 | 4 | 0 | 4 | 3.3 | O=C1c2cc(COc3ccccc3)nn2CCN1c1ccc(F)cc1 | 10.1016/j.bmcl.2015.11.098 | ||
| 9815616 | 114774 | 6 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.ejmech.2020.112521 | ||
| CHEMBL334014 | 114774 | 6 | None | -1 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.ejmech.2020.112521 | ||
| 44300605 | 13323 | 0 | None | 3 | 3 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 280 | 4 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccc(O)cc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1192345 | 13323 | 0 | None | 3 | 3 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 280 | 4 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccc(O)cc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL543568 | 13323 | 0 | None | 3 | 3 | Rat | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 280 | 4 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccc(O)cc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 71137034 | 123373 | 0 | None | -7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616850 | 123373 | 0 | None | -7 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71136654 | 123382 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616859 | 123382 | 0 | None | -3 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 71137010 | 123372 | 0 | None | -5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616849 | 123372 | 0 | None | -5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 9815617 | 114473 | 7 | None | 1 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.4 | N[C@@]1(C(=O)O)CC[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm000346k | ||
| CHEMBL333519 | 114473 | 7 | None | 1 | 2 | Rat | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.4 | N[C@@]1(C(=O)O)CC[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm000346k | ||
| 71137010 | 123372 | 0 | None | -5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616849 | 123372 | 0 | None | -5 | 2 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 117972250 | 142287 | 3 | None | -32 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 421 | 6 | 0 | 4 | 5.5 | FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 | 10.1016/j.bmc.2016.11.018 | ||
| CHEMBL3885379 | 142287 | 3 | None | -32 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 421 | 6 | 0 | 4 | 5.5 | FC(F)(F)c1c(OC[C@H]2C[C@@H]2c2ccc(Cl)cc2)ccn2c(CC3CC3)nnc12 | 10.1016/j.bmc.2016.11.018 | ||
| 49858117 | 1084 | 4 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 308 | 2 | 2 | 4 | 3.0 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C | 10.1021/jm101069m | ||
| 6223 | 1084 | 4 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 308 | 2 | 2 | 4 | 3.0 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C | 10.1021/jm101069m | ||
| CHEMBL1630806 | 1084 | 4 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | ChEMBL | 308 | 2 | 2 | 4 | 3.0 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C | 10.1021/jm101069m | ||
| 71476419 | 123383 | 0 | None | -51 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616860 | 123383 | 0 | None | -51 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71137008 | 123378 | 0 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616855 | 123378 | 0 | None | -7 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 9815616 | 114774 | 6 | None | 1 | 4 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.ejmech.2020.112521 | ||
| CHEMBL334014 | 114774 | 6 | None | 1 | 4 | Rat | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.ejmech.2020.112521 | ||
| 1378 | 2401 | 54 | None | 2 | 14 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm970498o | ||
| 1399 | 2401 | 54 | None | 2 | 14 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm970498o | ||
| 9819927 | 2401 | 54 | None | 2 | 14 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm970498o | ||
| CHEMBL432038 | 2401 | 54 | None | 2 | 14 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm970498o | ||
| 44329032 | 112517 | 0 | None | 3 | 5 | Rat | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 423 | 9 | 3 | 4 | 4.6 | CCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL329920 | 112517 | 0 | None | 3 | 5 | Rat | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 423 | 9 | 3 | 4 | 4.6 | CCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 44328850 | 208028 | 0 | None | 1 | 4 | Rat | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 367 | 5 | 3 | 4 | 3.1 | C[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL97574 | 208028 | 0 | None | 1 | 4 | Rat | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 367 | 5 | 3 | 4 | 3.1 | C[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 122456191 | 162922 | 0 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 344 | 6 | 0 | 5 | 3.0 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4174544 | 162922 | 0 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 344 | 6 | 0 | 5 | 3.0 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122456191 | 162922 | 0 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 344 | 6 | 0 | 5 | 3.0 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4174544 | 162922 | 0 | None | -2 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 344 | 6 | 0 | 5 | 3.0 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 60210837 | 90298 | 0 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 2 | 1 | 3 | 2.3 | COc1ccc(C#Cc2ccc(C(=O)N3CC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385881 | 90298 | 0 | None | - | 1 | Rat | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 321 | 2 | 1 | 3 | 2.3 | COc1ccc(C#Cc2ccc(C(=O)N3CC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 122190324 | 123427 | 0 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617508 | 123427 | 0 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190324 | 123427 | 0 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617508 | 123427 | 0 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 11310142 | 2406 | 19 | None | -13 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 11614 | 2406 | 19 | None | -13 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL192051 | 2406 | 19 | None | -13 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 10979251 | 90031 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL2381650 | 90031 | 0 | None | -1 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 134138062 | 147475 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 374 | 5 | 4 | 5 | 0.9 | N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3930511 | 147475 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 374 | 5 | 4 | 5 | 0.9 | N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| 122190330 | 123433 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617514 | 123433 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 60204019 | 90300 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(C)(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385883 | 90300 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(C)(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 21309795 | 150799 | 0 | None | 3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 327 | 4 | 3 | 3 | 1.8 | N[C@@]1(C(=O)O)[C@H](Cc2ccc(F)c(Cl)c2)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL3956934 | 150799 | 0 | None | 3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 327 | 4 | 3 | 3 | 1.8 | N[C@@]1(C(=O)O)[C@H](Cc2ccc(F)c(Cl)c2)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.6b01119 | ||
| 122190330 | 123433 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617514 | 123433 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 60210864 | 90294 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385877 | 90294 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 122190328 | 123431 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 6 | 0 | 5 | 4.2 | CCOc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617512 | 123431 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 6 | 0 | 5 | 4.2 | CCOc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190328 | 123431 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 6 | 0 | 5 | 4.2 | CCOc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617512 | 123431 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 6 | 0 | 5 | 4.2 | CCOc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190321 | 123424 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617505 | 123424 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190321 | 123424 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617505 | 123424 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 90643961 | 111967 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 382 | 3 | 0 | 6 | 3.9 | COc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288649 | 111967 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 382 | 3 | 0 | 6 | 3.9 | COc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190318 | 123421 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617502 | 123421 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 69669820 | 183616 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4746125 | 183616 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802570 | 183616 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 396 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1 | 10.1021/acs.jmedchem.6b01119 | ||
| 10710505 | 78709 | 0 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 316 | 6 | 3 | 4 | 1.6 | Cn1cc(CCC(N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c2ccccc21 | 10.1021/jm970497w | ||
| CHEMBL2112580 | 78709 | 0 | None | 1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 316 | 6 | 3 | 4 | 1.6 | Cn1cc(CCC(N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c2ccccc21 | 10.1021/jm970497w | ||
| 122190318 | 123421 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617502 | 123421 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 22448579 | 155754 | 0 | None | -4 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 412 | 3 | 2 | 5 | 4.8 | O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(O)c(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| CHEMBL405895 | 155754 | 0 | None | -4 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 412 | 3 | 2 | 5 | 4.8 | O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2cc(O)c(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| 44329031 | 108247 | 0 | None | 6 | 7 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 5.0 | CCCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL319732 | 108247 | 0 | None | 6 | 7 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 437 | 10 | 3 | 4 | 5.0 | CCCCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 122190401 | 123484 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cc(F)ccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617624 | 123484 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cc(F)ccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190401 | 123484 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cc(F)ccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617624 | 123484 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cc(F)ccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190411 | 123494 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617634 | 123494 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456006 | 162270 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4164219 | 162270 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122190411 | 123494 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617634 | 123494 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456006 | 162270 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4164219 | 162270 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | CC(COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 10456810 | 107852 | 0 | None | 7 | 5 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 8 | 3 | 4 | 4.7 | NC(CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1[C@H](CCc2ccccc2)[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL319279 | 107852 | 0 | None | 7 | 5 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 457 | 8 | 3 | 4 | 4.7 | NC(CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1[C@H](CCc2ccccc2)[C@@H]1C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 90643970 | 111973 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 3 | 1 | 6 | 3.8 | Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288664 | 111973 | 0 | None | -1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 464 | 3 | 1 | 6 | 3.8 | Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 134129940 | 142421 | 0 | None | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(F)c2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3890112 | 142421 | 0 | None | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(F)c2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 122190323 | 123426 | 0 | None | 1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617507 | 123426 | 0 | None | 1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190323 | 123426 | 0 | None | 1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617507 | 123426 | 0 | None | 1 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 53393854 | 83573 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2204439 | 83573 | 0 | None | 2 | 2 | Rat | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 1378 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/j.bmcl.2012.01.039 | ||
| 1399 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/j.bmcl.2012.01.039 | ||
| 9819927 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/j.bmcl.2012.01.039 | ||
| CHEMBL432038 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/j.bmcl.2012.01.039 | ||
| 11281280 | 56378 | 0 | None | -1 | 3 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 409 | 2 | 1 | 3 | 5.8 | Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL1631859 | 56378 | 0 | None | -1 | 3 | Rat | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 409 | 2 | 1 | 3 | 5.8 | Cc1cc(-c2cccc(C3=Nc4cc(C)c(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 | 10.1016/j.bmcl.2010.09.125 | ||
| 67705376 | 145314 | 0 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 416 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3913414 | 145314 | 0 | None | 1 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 416 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| 10515174 | 78702 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 255 | 5 | 3 | 3 | 1.5 | NC(CC1CCCCC1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112574 | 78702 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 255 | 5 | 3 | 3 | 1.5 | NC(CC1CCCCC1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 122190391 | 123474 | 0 | None | 7 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617614 | 123474 | 0 | None | 7 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190391 | 123474 | 0 | None | 7 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617614 | 123474 | 0 | None | 7 | 2 | Rat | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190392 | 123475 | 0 | None | 12 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617615 | 123475 | 0 | None | 12 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190317 | 123420 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617501 | 123420 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190317 | 123420 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617501 | 123420 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122455999 | 162942 | 0 | None | 5 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2cc(Cl)ccn2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4174878 | 162942 | 0 | None | 5 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2cc(Cl)ccn2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 134154496 | 152486 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.3 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)cc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3971347 | 152486 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.3 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)cc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 122190392 | 123475 | 0 | None | 12 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617615 | 123475 | 0 | None | 12 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122455999 | 162942 | 0 | None | 5 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2cc(Cl)ccn2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4174878 | 162942 | 0 | None | 5 | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2cc(Cl)ccn2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 134132133 | 144764 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3909237 | 144764 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 71137034 | 123373 | 0 | None | -7 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616850 | 123373 | 0 | None | -7 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190340 | 123443 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617524 | 123443 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190340 | 123443 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617524 | 123443 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| 10807972 | 35787 | 1 | None | 3 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL144151 | 35787 | 1 | None | 3 | 4 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 1378 | 2401 | 54 | None | -2 | 14 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(98)00510-1 | ||
| 1399 | 2401 | 54 | None | -2 | 14 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(98)00510-1 | ||
| 9819927 | 2401 | 54 | None | -2 | 14 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL432038 | 2401 | 54 | None | -2 | 14 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(98)00510-1 | ||
| 67637415 | 183663 | 0 | None | -2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 438 | 7 | 4 | 7 | 1.9 | Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4759992 | 183663 | 0 | None | -2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 438 | 7 | 4 | 7 | 1.9 | Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803099 | 183663 | 0 | None | -2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 438 | 7 | 4 | 7 | 1.9 | Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| 44348939 | 118468 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 293 | 7 | 3 | 4 | 1.1 | COc1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| CHEMBL341457 | 118468 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 293 | 7 | 3 | 4 | 1.1 | COc1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| 44302608 | 100819 | 0 | None | 2 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 3 | 4 | 1.8 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2-c2ccccc2)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| CHEMBL293434 | 100819 | 0 | None | 2 | 2 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 340 | 5 | 3 | 4 | 1.8 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2-c2ccccc2)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| 122190389 | 123472 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617612 | 123472 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190389 | 123472 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617612 | 123472 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190320 | 123423 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(Cl)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617504 | 123423 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(Cl)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190320 | 123423 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(Cl)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617504 | 123423 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(Cl)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 69669702 | 183651 | 0 | None | -3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 354 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4756556 | 183651 | 0 | None | -3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 354 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802948 | 183651 | 0 | None | -3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 354 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| 90643956 | 111964 | 0 | None | 5 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 352 | 2 | 0 | 5 | 3.9 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288639 | 111964 | 0 | None | 5 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 352 | 2 | 0 | 5 | 3.9 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190334 | 123437 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617518 | 123437 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190334 | 123437 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617518 | 123437 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cc(C(F)(F)F)ccn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 60210864 | 90294 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385877 | 90294 | 0 | None | - | 1 | Rat | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 22224852 | 95835 | 0 | None | 2 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccc(F)cc3)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| CHEMBL259054 | 95835 | 0 | None | 2 | 2 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccc(F)cc3)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| 11211597 | 56278 | 0 | None | 1 | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 395 | 2 | 1 | 3 | 5.5 | Cc1cc(-c2cccc(C3=Nc4ccc(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL1629865 | 56278 | 0 | None | 1 | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 395 | 2 | 1 | 3 | 5.5 | Cc1cc(-c2cccc(C3=Nc4ccc(C(F)(F)F)cc4NC(=O)C3)c2)ccn1 | 10.1016/j.bmcl.2010.09.125 | ||
| 10688450 | 16572 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 339 | 7 | 3 | 3 | 2.7 | N[C@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL124078 | 16572 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 339 | 7 | 3 | 3 | 2.7 | N[C@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 134144441 | 150370 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.3 | N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3953570 | 150370 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.3 | N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 44348993 | 114559 | 0 | None | -1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 297 | 6 | 3 | 3 | 1.8 | N[C@@](CCc1cccc(Cl)c1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL333771 | 114559 | 0 | None | -1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 297 | 6 | 3 | 3 | 1.8 | N[C@@](CCc1cccc(Cl)c1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 44348846 | 116986 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 7 | 3 | 5 | 0.5 | CS(=O)(=O)c1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| CHEMBL2111822 | 116986 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 7 | 3 | 5 | 0.5 | CS(=O)(=O)c1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| CHEMBL338911 | 116986 | 0 | None | 1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 341 | 7 | 3 | 5 | 0.5 | CS(=O)(=O)c1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| 122456206 | 162202 | 0 | None | 1 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4163186 | 162202 | 0 | None | 1 | 2 | Rat | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 44345358 | 113323 | 0 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 215 | 5 | 3 | 3 | 0.5 | CC(C)C[C@](N)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL331753 | 113323 | 0 | None | -1 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 215 | 5 | 3 | 3 | 0.5 | CC(C)C[C@](N)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 122190402 | 123485 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617625 | 123485 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190402 | 123485 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617625 | 123485 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456206 | 162202 | 0 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4163186 | 162202 | 0 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)c(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122190400 | 123483 | 0 | None | 11 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617623 | 123483 | 0 | None | 11 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 134152341 | 153439 | 0 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2cc(Cl)ccc2Cl)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3979475 | 153439 | 0 | None | 2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2cc(Cl)ccc2Cl)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 122190325 | 123428 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 419 | 4 | 0 | 4 | 4.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617509 | 123428 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 419 | 4 | 0 | 4 | 4.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190400 | 123483 | 0 | None | 11 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617623 | 123483 | 0 | None | 11 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 388 | 4 | 0 | 5 | 3.5 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190325 | 123428 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 419 | 4 | 0 | 4 | 4.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617509 | 123428 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 419 | 4 | 0 | 4 | 4.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190390 | 123473 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617613 | 123473 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190390 | 123473 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617613 | 123473 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190393 | 123476 | 0 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617616 | 123476 | 0 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 44329024 | 208335 | 0 | None | 11 | 3 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 395 | 7 | 3 | 4 | 3.8 | CCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL99462 | 208335 | 0 | None | 11 | 3 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 395 | 7 | 3 | 4 | 3.8 | CCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 122190393 | 123476 | 0 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617616 | 123476 | 0 | None | 1 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190398 | 123481 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617621 | 123481 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190398 | 123481 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617621 | 123481 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 90643966 | 111971 | 0 | None | 1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 448 | 3 | 1 | 6 | 3.3 | Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(F)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288660 | 111971 | 0 | None | 1 | 2 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 448 | 3 | 1 | 6 | 3.3 | Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(F)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 69669747 | 183629 | 11 | None | 2 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4751065 | 183629 | 11 | None | 2 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802733 | 183629 | 11 | None | 2 | 4 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 1378 | 2401 | 54 | None | 2 | 14 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 1399 | 2401 | 54 | None | 2 | 14 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 9819927 | 2401 | 54 | None | 2 | 14 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL432038 | 2401 | 54 | None | 2 | 14 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 67707808 | 148618 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 432 | 6 | 4 | 6 | 1.3 | COC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3939492 | 148618 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 432 | 6 | 4 | 6 | 1.3 | COC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| 44348859 | 16532 | 0 | None | 15 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 278 | 6 | 4 | 4 | 0.7 | Nc1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| CHEMBL123842 | 16532 | 0 | None | 15 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 278 | 6 | 4 | 4 | 0.7 | Nc1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| 162658781 | 183667 | 0 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4759209 | 183667 | 0 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803105 | 183667 | 0 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 122190408 | 123491 | 0 | None | 29 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617631 | 123491 | 0 | None | 29 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 137634033 | 156617 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)CCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4069251 | 156617 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 332 | 6 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)CCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 122190408 | 123491 | 0 | None | 29 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617631 | 123491 | 0 | None | 29 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2cccc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190333 | 123436 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617517 | 123436 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190333 | 123436 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617517 | 123436 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 44348706 | 116856 | 0 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 281 | 6 | 3 | 3 | 1.3 | N[C@@](CCc1ccc(F)cc1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL338282 | 116856 | 0 | None | -1 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 281 | 6 | 3 | 3 | 1.3 | N[C@@](CCc1ccc(F)cc1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 10091203 | 12919 | 0 | None | 1 | 3 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 308 | 5 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(C(=O)O)c2ccccc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1189303 | 12919 | 0 | None | 1 | 3 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 308 | 5 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(C(=O)O)c2ccccc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL538489 | 12919 | 0 | None | 1 | 3 | Rat | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 308 | 5 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(C(=O)O)c2ccccc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 122190395 | 123478 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617618 | 123478 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190395 | 123478 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617618 | 123478 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 162663798 | 183695 | 0 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4779554 | 183695 | 0 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803378 | 183695 | 0 | None | -1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| 122190407 | 123490 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617630 | 123490 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190423 | 123506 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617646 | 123506 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190423 | 123506 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617646 | 123506 | 0 | None | 6 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2c(F)cccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190407 | 123490 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617630 | 123490 | 0 | None | 14 | 2 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 67705089 | 152231 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 458 | 7 | 4 | 7 | 1.9 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3969063 | 152231 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 458 | 7 | 4 | 7 | 1.9 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| 10250423 | 12981 | 0 | None | 1 | 2 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 364 | 4 | 3 | 4 | 1.5 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C#Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1189797 | 12981 | 0 | None | 1 | 2 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 364 | 4 | 3 | 4 | 1.5 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C#Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL539516 | 12981 | 0 | None | 1 | 2 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 364 | 4 | 3 | 4 | 1.5 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2C#Cc2ccccc2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 122190339 | 123442 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(C(F)(F)F)n3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617523 | 123442 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(C(F)(F)F)n3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 71136654 | 123382 | 0 | None | -3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616859 | 123382 | 0 | None | -3 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190339 | 123442 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(C(F)(F)F)n3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617523 | 123442 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(C(F)(F)F)n3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190338 | 123441 | 0 | None | -1 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617522 | 123441 | 0 | None | -1 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| 71136640 | 123376 | 0 | None | -60 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616853 | 123376 | 0 | None | -60 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 134144056 | 150613 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 307 | 5 | 4 | 5 | -0.3 | N[C@@]1(C(=O)O)[C@H](OCc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3955458 | 150613 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 307 | 5 | 4 | 5 | -0.3 | N[C@@]1(C(=O)O)[C@H](OCc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 122190338 | 123441 | 0 | None | -1 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617522 | 123441 | 0 | None | -1 | 2 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1cccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)n1 | 10.1021/acs.jmedchem.5b01005 | ||
| 1397 | 2512 | 15 | None | -1 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 9886034 | 2512 | 15 | None | -1 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| CHEMBL186453 | 2512 | 15 | None | -1 | 8 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 162644419 | 183598 | 0 | None | -186 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4778355 | 183598 | 0 | None | -186 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802356 | 183598 | 0 | None | -186 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| 71131322 | 123380 | 0 | None | -43 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616857 | 123380 | 0 | None | -43 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 145949267 | 162793 | 6 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4172540 | 162793 | 6 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 145949267 | 162793 | 6 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4172540 | 162793 | 6 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1016/j.bmcl.2019.07.030 | ||
| 145949267 | 162793 | 6 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4172540 | 162793 | 6 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 90643958 | 111965 | 0 | None | 6 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 370 | 2 | 0 | 5 | 4.1 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(F)c3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288644 | 111965 | 0 | None | 6 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 370 | 2 | 0 | 5 | 4.1 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(F)c3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 10607617 | 78707 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 187 | 4 | 3 | 3 | -0.1 | CCC(N)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112579 | 78707 | 0 | None | 2 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 187 | 4 | 3 | 3 | -0.1 | CCC(N)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190322 | 123425 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617506 | 123425 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190431 | 123514 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617654 | 123514 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190322 | 123425 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617506 | 123425 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 381 | 5 | 0 | 5 | 3.8 | COc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| 44348769 | 16749 | 0 | None | 3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 279 | 6 | 4 | 4 | 0.8 | N[C@@](CCc1cccc(O)c1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL124483 | 16749 | 0 | None | 3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 279 | 6 | 4 | 4 | 0.8 | N[C@@](CCc1cccc(O)c1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 122190431 | 123514 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617654 | 123514 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 118575176 | 123414 | 0 | None | -5 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617495 | 123414 | 0 | None | -5 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190396 | 123479 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617619 | 123479 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 118575176 | 123414 | 0 | None | -5 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617495 | 123414 | 0 | None | -5 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 351 | 4 | 0 | 4 | 3.8 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190396 | 123479 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617619 | 123479 | 0 | None | - | 1 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 140839138 | 162859 | 0 | None | 4 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 0 | 5 | 3.3 | N#Cc1cc(F)cc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4173490 | 162859 | 0 | None | 4 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 0 | 5 | 3.3 | N#Cc1cc(F)cc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 67633340 | 183697 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4780402 | 183697 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803381 | 183697 | 0 | None | -1 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 355 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| 140839138 | 162859 | 0 | None | 4 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 0 | 5 | 3.3 | N#Cc1cc(F)cc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4173490 | 162859 | 0 | None | 4 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 350 | 6 | 0 | 5 | 3.3 | N#Cc1cc(F)cc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 10473248 | 14154 | 0 | None | -4 | 3 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 280 | 4 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2O)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1198741 | 14154 | 0 | None | -4 | 3 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 280 | 4 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2O)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL540015 | 14154 | 0 | None | -4 | 3 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 280 | 4 | 4 | 5 | -0.2 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2O)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 162666357 | 183707 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4784701 | 183707 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803523 | 183707 | 0 | None | -3 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 53240406 | 123370 | 17 | None | -107 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -107 | 4 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 60210850 | 90301 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 359 | 2 | 0 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CC4CCC(=O)C4C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385884 | 90301 | 0 | None | - | 1 | Rat | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 359 | 2 | 0 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CC4CCC(=O)C4C3)cc2)cc1 | 10.1021/jm400439t | ||
| 60210794 | 90297 | 0 | None | - | 1 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 321 | 2 | 1 | 3 | 2.3 | COc1ccc(C#Cc2ccc(C(=O)N3CC[C@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385880 | 90297 | 0 | None | - | 1 | Rat | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 321 | 2 | 1 | 3 | 2.3 | COc1ccc(C#Cc2ccc(C(=O)N3CC[C@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 71476419 | 123383 | 0 | None | -51 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616860 | 123383 | 0 | None | -51 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 10783272 | 86093 | 0 | None | 15 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 7 | 3 | 3 | 2.7 | N[C@@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2311086 | 86093 | 0 | None | 15 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 339 | 7 | 3 | 3 | 2.7 | N[C@@](CC(c1ccccc1)c1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 122190422 | 123505 | 0 | None | 9 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617645 | 123505 | 0 | None | 9 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 10732318 | 78714 | 0 | None | -6 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 291 | 8 | 3 | 3 | 1.9 | NC(CCCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112585 | 78714 | 0 | None | -6 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 291 | 8 | 3 | 3 | 1.9 | NC(CCCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 122190422 | 123505 | 0 | None | 9 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617645 | 123505 | 0 | None | 9 | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 11269030 | 56274 | 0 | None | 1 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 381 | 2 | 1 | 3 | 5.2 | O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2ccc(C(F)(F)F)cc2N1 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL1629861 | 56274 | 0 | None | 1 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 381 | 2 | 1 | 3 | 5.2 | O=C1CC(c2cccc(-c3ccncc3)c2)=Nc2ccc(C(F)(F)F)cc2N1 | 10.1016/j.bmcl.2010.09.125 | ||
| 44328753 | 207731 | 0 | None | 16 | 6 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 409 | 8 | 3 | 4 | 4.2 | CCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL95868 | 207731 | 0 | None | 16 | 6 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 409 | 8 | 3 | 4 | 4.2 | CCCC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 86695984 | 149741 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 7 | 3 | 8 | 1.9 | Cn1ncnc1S[C@@H]1[C@@H](OCc2ccc(Cl)c(Cl)c2)[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3948272 | 149741 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 7 | 3 | 8 | 1.9 | Cn1ncnc1S[C@@H]1[C@@H](OCc2ccc(Cl)c(Cl)c2)[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1016/j.bmcl.2016.10.067 | ||
| 122455994 | 162275 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 326 | 6 | 0 | 5 | 2.8 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4164285 | 162275 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 326 | 6 | 0 | 5 | 2.8 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 90643964 | 111969 | 0 | None | 1 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 386 | 2 | 0 | 5 | 4.6 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(Cl)c3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288656 | 111969 | 0 | None | 1 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 386 | 2 | 0 | 5 | 4.6 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3cccc(Cl)c3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190432 | 123305 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cccc(F)n2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3616489 | 123305 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cccc(F)n2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 11310142 | 2406 | 19 | None | -13 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 11614 | 2406 | 19 | None | -13 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL192051 | 2406 | 19 | None | -13 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 122190331 | 123434 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3C(F)(F)F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617515 | 123434 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3C(F)(F)F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190432 | 123305 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cccc(F)n2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3616489 | 123305 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cccc(F)n2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122455994 | 162275 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 326 | 6 | 0 | 5 | 2.8 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4164285 | 162275 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 326 | 6 | 0 | 5 | 2.8 | O=c1nc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122190331 | 123434 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3C(F)(F)F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617515 | 123434 | 0 | None | - | 1 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 420 | 4 | 0 | 5 | 4.2 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ncccc3C(F)(F)F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 11442010 | 56279 | 0 | None | 2 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 439 | 4 | 1 | 4 | 5.9 | CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(C)c3)c1)=N2 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL1629866 | 56279 | 0 | None | 2 | 3 | Rat | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 439 | 4 | 1 | 4 | 5.9 | CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(C)c3)c1)=N2 | 10.1016/j.bmcl.2010.09.125 | ||
| 11304010 | 56277 | 0 | None | -10 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 2 | 1 | 3 | 5.8 | Cc1cc(-c2cccc(C3=Nc4cc(Cl)c(Cl)cc4NC(=O)C3)c2)ccn1 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL1629864 | 56277 | 0 | None | -10 | 3 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 2 | 1 | 3 | 5.8 | Cc1cc(-c2cccc(C3=Nc4cc(Cl)c(Cl)cc4NC(=O)C3)c2)ccn1 | 10.1016/j.bmcl.2010.09.125 | ||
| 6324634 | 147919 | 11 | None | -6 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 355 | 10 | 3 | 3 | 3.5 | N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1016/s0960-894x(98)00352-7 | ||
| CHEMBL39338 | 147919 | 11 | None | -6 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 355 | 10 | 3 | 3 | 3.5 | N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1016/s0960-894x(98)00352-7 | ||
| 6324634 | 147919 | 11 | None | -6 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 355 | 10 | 3 | 3 | 3.5 | N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1016/s0960-894x(98)00091-2 | ||
| CHEMBL39338 | 147919 | 11 | None | -6 | 2 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 355 | 10 | 3 | 3 | 3.5 | N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1016/s0960-894x(98)00091-2 | ||
| 60204018 | 90295 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385878 | 90295 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385888 | 90295 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 71136653 | 123377 | 0 | None | -51 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616854 | 123377 | 0 | None | -51 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190416 | 123499 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617639 | 123499 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190426 | 123509 | 0 | None | 3 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)cc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617649 | 123509 | 0 | None | 3 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)cc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 90643973 | 111975 | 0 | None | 1 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 382 | 4 | 1 | 6 | 3.4 | O=c1c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc2n1CCO | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288674 | 111975 | 0 | None | 1 | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 382 | 4 | 1 | 6 | 3.4 | O=c1c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc2n1CCO | 10.1016/j.bmcl.2014.04.051 | ||
| 122190416 | 123499 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617639 | 123499 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190426 | 123509 | 0 | None | 3 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)cc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617649 | 123509 | 0 | None | 3 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)cc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190399 | 123482 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617622 | 123482 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190399 | 123482 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617622 | 123482 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(F)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190409 | 123492 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617632 | 123492 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190427 | 123510 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617650 | 123510 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 22224657 | 96143 | 0 | None | -2 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| CHEMBL260636 | 96143 | 0 | None | -2 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 396 | 3 | 1 | 4 | 5.1 | O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| 9952648 | 96279 | 0 | None | -1 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 397 | 3 | 1 | 5 | 4.5 | O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL261288 | 96279 | 0 | None | -1 | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 397 | 3 | 1 | 5 | 4.5 | O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2010.09.125 | ||
| 122190409 | 123492 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617632 | 123492 | 0 | None | 16 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2ccccc2Cl)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190427 | 123510 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617650 | 123510 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 71681826 | 90032 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| CHEMBL2381651 | 90032 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| 71681826 | 90032 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL2381651 | 90032 | 0 | None | -1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190397 | 123480 | 0 | None | -1 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617620 | 123480 | 0 | None | -1 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 140839143 | 162181 | 0 | None | 18 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 332 | 6 | 0 | 5 | 3.2 | N#Cc1cccc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4162785 | 162181 | 0 | None | 18 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 332 | 6 | 0 | 5 | 3.2 | N#Cc1cccc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122190397 | 123480 | 0 | None | -1 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617620 | 123480 | 0 | None | -1 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 70051296 | 90029 | 0 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 | 10.1021/jm4000165 | ||
| CHEMBL2381648 | 90029 | 0 | None | 1 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 | 10.1021/jm4000165 | ||
| 140839143 | 162181 | 0 | None | 18 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 332 | 6 | 0 | 5 | 3.2 | N#Cc1cccc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4162785 | 162181 | 0 | None | 18 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 332 | 6 | 0 | 5 | 3.2 | N#Cc1cccc(-n2ccc(OCCOc3ccccc3)cc2=O)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 11310142 | 2406 | 19 | None | -13 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm4000165 | ||
| 11614 | 2406 | 19 | None | -13 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm4000165 | ||
| CHEMBL192051 | 2406 | 19 | None | -13 | 3 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm4000165 | ||
| 122190394 | 123477 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617617 | 123477 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190394 | 123477 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617617 | 123477 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 366 | 4 | 0 | 5 | 3.5 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190406 | 123489 | 0 | None | 28 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 371 | 4 | 0 | 6 | 2.8 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617629 | 123489 | 0 | None | 28 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 371 | 4 | 0 | 6 | 2.8 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456122 | 162722 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2cccc(F)c2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4171435 | 162722 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2cccc(F)c2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122190406 | 123489 | 0 | None | 28 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 371 | 4 | 0 | 6 | 2.8 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617629 | 123489 | 0 | None | 28 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 371 | 4 | 0 | 6 | 2.8 | C[C@@H]1CN(c2ccc(F)cn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456122 | 162722 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2cccc(F)c2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4171435 | 162722 | 0 | None | 4 | 2 | Rat | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 343 | 6 | 0 | 4 | 3.6 | O=c1cc(OCCOc2cccc(F)c2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 71137008 | 123378 | 0 | None | -7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616855 | 123378 | 0 | None | -7 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190429 | 123512 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ncccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617652 | 123512 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ncccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190429 | 123512 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ncccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617652 | 123512 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ncccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190335 | 123438 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617519 | 123438 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190335 | 123438 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617519 | 123438 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1ccnc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 67705326 | 153224 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 457 | 7 | 4 | 6 | 2.5 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2ncc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3977508 | 153224 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 457 | 7 | 4 | 6 | 2.5 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2ncc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| 71137011 | 123381 | 0 | None | -58 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616858 | 123381 | 0 | None | -58 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 10237 | 4020 | 20 | None | 1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 10.1021/acs.jmedchem.5b01005 | ||
| 122190433 | 4020 | 20 | None | 1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617655 | 4020 | 20 | None | 1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 10.1021/acs.jmedchem.5b01005 | ||
| 122190413 | 123496 | 0 | None | 9 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617636 | 123496 | 0 | None | 9 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456028 | 162703 | 0 | None | 5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4171110 | 162703 | 0 | None | 5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122456028 | 162703 | 0 | None | 5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4171110 | 162703 | 0 | None | 5 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1cccc(F)c1 | 10.1021/acsmedchemlett.7b00249 | ||
| 10237 | 4020 | 20 | None | 1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 10.1021/acs.jmedchem.5b01005 | ||
| 122190433 | 4020 | 20 | None | 1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617655 | 4020 | 20 | None | 1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 10.1021/acs.jmedchem.5b01005 | ||
| 122190413 | 123496 | 0 | None | 9 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617636 | 123496 | 0 | None | 9 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 | 10.1021/acs.jmedchem.5b01005 | ||
| 44329033 | 207957 | 0 | None | 9 | 5 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 409 | 7 | 3 | 4 | 4.1 | CC(C)C[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL97200 | 207957 | 0 | None | 9 | 5 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 409 | 7 | 3 | 4 | 4.1 | CC(C)C[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 44302686 | 200893 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 332 | 4 | 3 | 4 | 1.4 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2c(Cl)cccc2Cl)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| CHEMBL60164 | 200893 | 0 | None | 1 | 2 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 332 | 4 | 3 | 4 | 1.4 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2c(Cl)cccc2Cl)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| 122190414 | 123497 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617637 | 123497 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190437 | 123518 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)nc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617659 | 123518 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)nc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190329 | 123432 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617513 | 123432 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190329 | 123432 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617513 | 123432 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 435 | 5 | 0 | 5 | 4.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190437 | 123518 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)nc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617659 | 123518 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2ccc(F)nc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 67637138 | 183594 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4776989 | 183594 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802329 | 183594 | 0 | None | -2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 122190414 | 123497 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617637 | 123497 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190315 | 123418 | 0 | None | -1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 4 | 4.1 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617499 | 123418 | 0 | None | -1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 4 | 4.1 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190424 | 123507 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617647 | 123507 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190315 | 123418 | 0 | None | -1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 4 | 4.1 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617499 | 123418 | 0 | None | -1 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 387 | 4 | 0 | 4 | 4.1 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 9952648 | 96279 | 0 | None | -1 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 3 | 1 | 5 | 4.5 | O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| CHEMBL261288 | 96279 | 0 | None | -1 | 2 | Rat | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 397 | 3 | 1 | 5 | 4.5 | O=C1CC(c2cccc(-n3ccnn3)c2)=Nc2ccc(-c3ccccc3F)cc2N1 | 10.1016/j.bmcl.2008.02.076 | ||
| 44348911 | 16534 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 331 | 6 | 3 | 3 | 2.1 | N[C@@](CCc1cccc(C(F)(F)F)c1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL123847 | 16534 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 331 | 6 | 3 | 3 | 2.1 | N[C@@](CCc1cccc(C(F)(F)F)c1)(C(=O)O)C1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 122190424 | 123507 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617647 | 123507 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cc(F)cc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 11503055 | 2385 | 3 | None | 31 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1021/jm400439t | ||
| 9694 | 2385 | 3 | None | 31 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1021/jm400439t | ||
| CHEMBL2204436 | 2385 | 3 | None | 31 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1021/jm400439t | ||
| 122190418 | 123501 | 0 | None | 11 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617641 | 123501 | 0 | None | 11 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 71136653 | 123377 | 0 | None | -51 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616854 | 123377 | 0 | None | -51 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190418 | 123501 | 0 | None | 11 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617641 | 123501 | 0 | None | 11 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190404 | 123487 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617627 | 123487 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190404 | 123487 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617627 | 123487 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190417 | 123500 | 0 | None | 10 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617640 | 123500 | 0 | None | 10 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190417 | 123500 | 0 | None | 10 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617640 | 123500 | 0 | None | 10 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456139 | 162058 | 0 | None | 17 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2ncccc2Cl)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4160819 | 162058 | 0 | None | 17 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2ncccc2Cl)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 122456139 | 162058 | 0 | None | 17 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2ncccc2Cl)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4160819 | 162058 | 0 | None | 17 | 2 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 360 | 6 | 0 | 5 | 3.5 | O=c1cc(OCCOc2ncccc2Cl)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 60204017 | 2556 | 30 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| 8765 | 2556 | 30 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| CHEMBL2385886 | 2556 | 30 | None | - | 1 | Rat | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| 90643976 | 111978 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 402 | 2 | 0 | 5 | 5.1 | Cn1c(=O)c2ccc(-c3ccc4ccncc4c3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288680 | 111978 | 0 | None | - | 1 | Rat | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 402 | 2 | 0 | 5 | 5.1 | Cn1c(=O)c2ccc(-c3ccc4ccncc4c3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 60204016 | 90303 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2F)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385887 | 90303 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2F)cc1 | 10.1021/jm400439t | ||
| 162652146 | 180189 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 289 | 5 | 4 | 5 | -0.2 | CC(C)SC[C@@H]1[C@@H](O)[C@@H]2[C@@H]([C@H]2C(=O)O)[C@]1(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4749728 | 180189 | 0 | None | -1 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 289 | 5 | 4 | 5 | -0.2 | CC(C)SC[C@@H]1[C@@H](O)[C@@H]2[C@@H]([C@H]2C(=O)O)[C@]1(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 122190314 | 123417 | 0 | None | -5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617498 | 123417 | 0 | None | -5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 60204016 | 90303 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2F)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385887 | 90303 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2F)cc1 | 10.1021/jm400439t | ||
| 71137034 | 123373 | 0 | None | -7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616850 | 123373 | 0 | None | -7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 57338826 | 149603 | 0 | None | -1 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3947221 | 149603 | 0 | None | -1 | 5 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 122190314 | 123417 | 0 | None | -5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617498 | 123417 | 0 | None | -5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 10852666 | 78712 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 313 | 6 | 3 | 3 | 2.3 | NC(CCc1cccc2ccccc12)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112583 | 78712 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 313 | 6 | 3 | 3 | 2.3 | NC(CCc1cccc2ccccc12)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 122190434 | 123515 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cnccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617656 | 123515 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cnccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190435 | 123516 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cncc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617657 | 123516 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cncc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190435 | 123516 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cncc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617657 | 123516 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cncc(F)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190434 | 123515 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cnccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617656 | 123515 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 387 | 4 | 0 | 6 | 3.3 | C[C@@H]1CN(c2cnccc2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 90643974 | 111976 | 0 | None | 3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 0 | 5 | 3.9 | Cn1c(=O)c2ccc(-c3ccncc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288675 | 111976 | 0 | None | 3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 352 | 2 | 0 | 5 | 3.9 | Cn1c(=O)c2ccc(-c3ccncc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190312 | 123415 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617496 | 123415 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190425 | 123508 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)ccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617648 | 123508 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)ccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 71137010 | 123372 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616849 | 123372 | 0 | None | -5 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190425 | 123508 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)ccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617648 | 123508 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 411 | 4 | 0 | 6 | 3.7 | C[C@@H]1CN(c2cc(F)ccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 90643963 | 111968 | 0 | None | 3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 366 | 2 | 0 | 5 | 4.2 | Cc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288653 | 111968 | 0 | None | 3 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 366 | 2 | 0 | 5 | 4.2 | Cc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccnc5)cc4n3n2)c1 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190312 | 123415 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617496 | 123415 | 0 | None | -2 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3F)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190319 | 123422 | 0 | None | -1 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617503 | 123422 | 0 | None | -1 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190319 | 123422 | 0 | None | -1 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617503 | 123422 | 0 | None | -1 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 385 | 4 | 0 | 4 | 4.5 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccccc3Cl)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190336 | 123439 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617520 | 123439 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190420 | 123503 | 0 | None | 6 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617643 | 123503 | 0 | None | 6 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190336 | 123439 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617520 | 123439 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 370 | 4 | 0 | 5 | 3.4 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190420 | 123503 | 0 | None | 6 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617643 | 123503 | 0 | None | 6 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2ccc(C#N)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 134137754 | 147923 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 400 | 6 | 3 | 5 | 2.3 | [N-]=[N+]=N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3933829 | 147923 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 400 | 6 | 3 | 5 | 2.3 | [N-]=[N+]=N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1OCc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2016.10.067 | ||
| 162665071 | 183704 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4781638 | 183704 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803454 | 183704 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 60210800 | 90293 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 349 | 3 | 0 | 3 | 3.3 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(OC)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385876 | 90293 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 349 | 3 | 0 | 3 | 3.3 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(OC)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 60210782 | 90302 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CC4CCC(O)C4C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385885 | 90302 | 0 | None | - | 1 | Rat | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 361 | 2 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CC4CCC(O)C4C3)cc2)cc1 | 10.1021/jm400439t | ||
| 10826383 | 78713 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 277 | 7 | 3 | 3 | 1.5 | NC(CCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112584 | 78713 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 277 | 7 | 3 | 3 | 1.5 | NC(CCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 71136640 | 123376 | 0 | None | -60 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616853 | 123376 | 0 | None | -60 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190410 | 123493 | 0 | None | 5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617633 | 123493 | 0 | None | 5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 67633284 | 183623 | 0 | None | -5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 391 | 5 | 4 | 5 | 1.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4748699 | 183623 | 0 | None | -5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 391 | 5 | 4 | 5 | 1.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802655 | 183623 | 0 | None | -5 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 391 | 5 | 4 | 5 | 1.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 122190410 | 123493 | 0 | None | 5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617633 | 123493 | 0 | None | 5 | 2 | Rat | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 402 | 4 | 0 | 5 | 4.4 | C[C@@H]1CN(c2cccc(Cl)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 10778385 | 78710 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 269 | 6 | 3 | 4 | 1.2 | NC(CCc1ccsc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112581 | 78710 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 269 | 6 | 3 | 4 | 1.2 | NC(CCc1ccsc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 122190412 | 123495 | 0 | None | 3 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617635 | 123495 | 0 | None | 3 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190412 | 123495 | 0 | None | 3 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617635 | 123495 | 0 | None | 3 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 382 | 4 | 0 | 5 | 4.0 | Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 60204017 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| 8765 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| CHEMBL2385886 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| 11235624 | 56275 | 0 | None | 1 | 3 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 425 | 4 | 1 | 4 | 5.6 | CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccncc3)c1)=N2 | 10.1016/j.bmcl.2010.09.125 | ||
| CHEMBL1629862 | 56275 | 0 | None | 1 | 3 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 425 | 4 | 1 | 4 | 5.6 | CCOc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccncc3)c1)=N2 | 10.1016/j.bmcl.2010.09.125 | ||
| 69669747 | 183629 | 11 | None | 2 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4751065 | 183629 | 11 | None | 2 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802733 | 183629 | 11 | None | 2 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 122190337 | 123440 | 0 | None | 4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617521 | 123440 | 0 | None | 4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190428 | 123511 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617651 | 123511 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190436 | 123517 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2cncc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617658 | 123517 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2cncc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 60204017 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| 8765 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| CHEMBL2385886 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 10.1021/jm400439t | ||
| 122190337 | 123440 | 0 | None | 4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617521 | 123440 | 0 | None | 4 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 386 | 4 | 0 | 5 | 3.9 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190436 | 123517 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2cncc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617658 | 123517 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2cncc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190428 | 123511 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617651 | 123511 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 369 | 4 | 0 | 6 | 3.1 | C[C@@H]1CN(c2cccnc2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 69669646 | 183655 | 0 | None | -2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 351 | 5 | 4 | 5 | 1.1 | Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4757159 | 183655 | 0 | None | -2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 351 | 5 | 4 | 5 | 1.1 | Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802990 | 183655 | 0 | None | -2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 351 | 5 | 4 | 5 | 1.1 | Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C | 10.1021/acs.jmedchem.6b01119 | ||
| 10359073 | 154950 | 1 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 327 | 8 | 3 | 3 | 2.7 | N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1016/s0960-894x(98)00091-2 | ||
| CHEMBL40123 | 154950 | 1 | None | 1 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 327 | 8 | 3 | 3 | 2.7 | N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1016/s0960-894x(98)00091-2 | ||
| 162658340 | 183662 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 405 | 6 | 4 | 5 | 1.9 | N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4760856 | 183662 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 405 | 6 | 4 | 5 | 1.9 | N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803084 | 183662 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 405 | 6 | 4 | 5 | 1.9 | N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 90098428 | 123379 | 0 | None | -60 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616856 | 123379 | 0 | None | -60 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 44302856 | 102704 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 354 | 6 | 3 | 4 | 1.8 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| CHEMBL304919 | 102704 | 0 | None | -1 | 2 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 354 | 6 | 3 | 4 | 1.8 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(CC(c2ccccc2)c2ccccc2)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| 90643971 | 111974 | 0 | None | 1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 386 | 2 | 0 | 5 | 4.6 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288667 | 111974 | 0 | None | 1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 386 | 2 | 0 | 5 | 4.6 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(Cl)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 10587622 | 78711 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 263 | 6 | 3 | 3 | 1.1 | NC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112582 | 78711 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 263 | 6 | 3 | 3 | 1.1 | NC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 10587622 | 78711 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 263 | 6 | 3 | 3 | 1.1 | NC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL2112582 | 78711 | 0 | None | 1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 263 | 6 | 3 | 3 | 1.1 | NC(CCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 60204018 | 90295 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385878 | 90295 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385888 | 90295 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 56587994 | 4014 | 41 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| 6225 | 4014 | 41 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204445 | 4014 | 41 | None | -1 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| 60204018 | 90295 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385878 | 90295 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385888 | 90295 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 90643968 | 111972 | 0 | None | 6 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 370 | 2 | 0 | 5 | 4.1 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(F)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288662 | 111972 | 0 | None | 6 | 2 | Rat | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 370 | 2 | 0 | 5 | 4.1 | Cn1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccc(F)cc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190430 | 123513 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2ncccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617653 | 123513 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2ncccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190332 | 123435 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccnc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617516 | 123435 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccnc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190332 | 123435 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccnc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617516 | 123435 | 0 | None | - | 1 | Rat | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 382 | 5 | 0 | 6 | 3.2 | COc1cccnc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190430 | 123513 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2ncccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617653 | 123513 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 394 | 4 | 0 | 7 | 3.0 | C[C@@H]1CN(c2ncccc2C#N)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 19702198 | 161298 | 16 | None | -1 | 2 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 173 | 3 | 3 | 3 | -0.5 | CC(N)(C(=O)O)C1CC1C(=O)O | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL412445 | 161298 | 16 | None | -1 | 2 | Rat | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 173 | 3 | 3 | 3 | -0.5 | CC(N)(C(=O)O)C1CC1C(=O)O | 10.1016/s0960-894x(01)00329-8 | ||
| 122190415 | 123498 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617638 | 123498 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190415 | 123498 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617638 | 123498 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 5 | 0 | 6 | 3.7 | COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O | 10.1021/acs.jmedchem.5b01005 | ||
| 90643959 | 111966 | 0 | None | 1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 460 | 4 | 1 | 7 | 3.2 | COc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccc(S(N)(=O)=O)c5)cc4n3n2)c1 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288646 | 111966 | 0 | None | 1 | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 460 | 4 | 1 | 7 | 3.2 | COc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5cccc(S(N)(=O)=O)c5)cc4n3n2)c1 | 10.1016/j.bmcl.2014.04.051 | ||
| 1378 | 2401 | 54 | None | 2 | 14 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 1399 | 2401 | 54 | None | 2 | 14 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 9819927 | 2401 | 54 | None | 2 | 14 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL432038 | 2401 | 54 | None | 2 | 14 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 134155683 | 151337 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 377 | 5 | 3 | 4 | 2.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3961306 | 151337 | 0 | None | -1 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 377 | 5 | 3 | 4 | 2.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| 60204019 | 90300 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(C)(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385883 | 90300 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(C)(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 122190316 | 123419 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617500 | 123419 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| 122190316 | 123419 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617500 | 123419 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 365 | 4 | 0 | 4 | 4.1 | Cc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O | 10.1021/acs.jmedchem.5b01005 | ||
| 60210806 | 90296 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 309 | 4 | 2 | 3 | 2.2 | COc1ccc(C#Cc2ccc(C(=O)NC(C)CO)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385879 | 90296 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 309 | 4 | 2 | 3 | 2.2 | COc1ccc(C#Cc2ccc(C(=O)NC(C)CO)cc2)cc1 | 10.1021/jm400439t | ||
| 56587989 | 90299 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 335 | 3 | 1 | 3 | 2.5 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(CO)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2385882 | 90299 | 0 | None | - | 1 | Rat | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 335 | 3 | 1 | 3 | 2.5 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(CO)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 44329042 | 169059 | 0 | None | 33 | 5 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 381 | 6 | 3 | 4 | 3.5 | CC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| CHEMBL439775 | 169059 | 0 | None | 33 | 5 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 381 | 6 | 3 | 4 | 3.5 | CC[C@@H]1[C@H](C(=O)O)[C@H]1C(N)(CC1c2ccccc2Oc2ccccc21)C(=O)O | 10.1016/s0960-894x(98)00510-1 | ||
| 21309795 | 150799 | 0 | None | 3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 327 | 4 | 3 | 3 | 1.8 | N[C@@]1(C(=O)O)[C@H](Cc2ccc(F)c(Cl)c2)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3956934 | 150799 | 0 | None | 3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 327 | 4 | 3 | 3 | 1.8 | N[C@@]1(C(=O)O)[C@H](Cc2ccc(F)c(Cl)c2)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| 10567792 | 78715 | 0 | None | -3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 321 | 6 | 3 | 3 | 2.5 | NC(CCC12CC3CC(CC(C3)C1)C2)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| CHEMBL2112586 | 78715 | 0 | None | -3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 321 | 6 | 3 | 3 | 2.5 | NC(CCC12CC3CC(CC(C3)C1)C2)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970497w | ||
| 53393854 | 83573 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| CHEMBL2204439 | 83573 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1021/jm400439t | ||
| 10979251 | 90031 | 0 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL2381650 | 90031 | 0 | None | -1 | 3 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 86298614 | 111977 | 0 | None | 3 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 2 | 0 | 6 | 3.3 | Cn1c(=O)c2ccc(-c3cncnc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288676 | 111977 | 0 | None | 3 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 2 | 0 | 6 | 3.3 | Cn1c(=O)c2ccc(-c3cncnc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 44300389 | 13627 | 0 | None | 1 | 2 | Rat | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 342 | 4 | 3 | 4 | 0.9 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2Br)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1194613 | 13627 | 0 | None | 1 | 2 | Rat | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 342 | 4 | 3 | 4 | 0.9 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2Br)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL552984 | 13627 | 0 | None | 1 | 2 | Rat | 4.1 | pIC50 | = | 4.1 | Functional | ChEMBL | 342 | 4 | 3 | 4 | 0.9 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2ccccc2Br)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 122190313 | 123416 | 0 | None | -10 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(F)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617497 | 123416 | 0 | None | -10 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(F)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190313 | 123416 | 0 | None | -10 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(F)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617497 | 123416 | 0 | None | -10 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 369 | 4 | 0 | 4 | 4.0 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(F)c3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190327 | 123430 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 4 | 0 | 5 | 3.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C#N)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617511 | 123430 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 4 | 0 | 5 | 3.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C#N)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 86298614 | 111977 | 0 | None | 3 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 2 | 0 | 6 | 3.3 | Cn1c(=O)c2ccc(-c3cncnc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288676 | 111977 | 0 | None | 3 | 2 | Rat | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 353 | 2 | 0 | 6 | 3.3 | Cn1c(=O)c2ccc(-c3cncnc3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190327 | 123430 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 4 | 0 | 5 | 3.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C#N)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617511 | 123430 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 376 | 4 | 0 | 5 | 3.7 | C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(C#N)cc3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 10492773 | 16753 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 277 | 6 | 3 | 3 | 1.4 | Cc1cccc(CC[C@](N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| CHEMBL124501 | 16753 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 277 | 6 | 3 | 3 | 1.4 | Cc1cccc(CC[C@](N)(C(=O)O)[C@H]2C[C@@H]2C(=O)O)c1 | 10.1021/jm970498o | ||
| 10828532 | 78736 | 0 | None | 22 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 307 | 7 | 4 | 4 | 0.8 | NC(CCc1cccc(C(=O)O)c1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| CHEMBL2112634 | 78736 | 0 | None | 22 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 307 | 7 | 4 | 4 | 0.8 | NC(CCc1cccc(C(=O)O)c1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm970498o | ||
| 122190419 | 123502 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2cccc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617642 | 123502 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2cccc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 134139744 | 145934 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2Cl)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3918170 | 145934 | 0 | None | 1 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 375 | 5 | 4 | 5 | 1.0 | N[C@@]1(C(=O)O)[C@H](OCc2cccc(Cl)c2Cl)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1016/j.bmcl.2016.10.067 | ||
| 122190326 | 123429 | 0 | None | 3 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 379 | 5 | 0 | 4 | 4.4 | CCc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617510 | 123429 | 0 | None | 3 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 379 | 5 | 0 | 4 | 4.4 | CCc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190326 | 123429 | 0 | None | 3 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 379 | 5 | 0 | 4 | 4.4 | CCc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617510 | 123429 | 0 | None | 3 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 379 | 5 | 0 | 4 | 4.4 | CCc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190419 | 123502 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2cccc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617642 | 123502 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 393 | 4 | 0 | 6 | 3.6 | C[C@@H]1CN(c2cccc(C#N)c2)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 134141510 | 147043 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 339 | 5 | 4 | 5 | 0.1 | Cc1cc(CO[C@@H]2[C@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3927108 | 147043 | 0 | None | 2 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 339 | 5 | 4 | 5 | 0.1 | Cc1cc(CO[C@@H]2[C@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1016/j.bmcl.2016.10.067 | ||
| 122190421 | 123504 | 0 | None | 7 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617644 | 123504 | 0 | None | 7 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190421 | 123504 | 0 | None | 7 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617644 | 123504 | 0 | None | 7 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 404 | 4 | 0 | 5 | 4.0 | C[C@@H]1CN(c2cccc(F)c2F)C(=O)c2cc(COc3ccc(Cl)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 10358265 | 102099 | 0 | None | 2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 314 | 4 | 3 | 4 | 1.3 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc3ccccc23)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| CHEMBL302411 | 102099 | 0 | None | 2 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 314 | 4 | 3 | 4 | 1.3 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc3ccccc23)C1 | 10.1016/s0960-894x(98)00352-7 | ||
| 71136655 | 123375 | 0 | None | -12 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616852 | 123375 | 0 | None | -12 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 122190405 | 123488 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccncc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617628 | 123488 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccncc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 90643954 | 111963 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 430 | 3 | 1 | 6 | 3.2 | Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| CHEMBL3288636 | 111963 | 0 | None | 2 | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 430 | 3 | 1 | 6 | 3.2 | Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccccc3)cc12 | 10.1016/j.bmcl.2014.04.051 | ||
| 122190405 | 123488 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccncc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617628 | 123488 | 0 | None | - | 1 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccncc2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 10979251 | 90031 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| CHEMBL2381650 | 90031 | 0 | None | -1 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| 122190403 | 123486 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617626 | 123486 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122190403 | 123486 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| CHEMBL3617626 | 123486 | 0 | None | 3 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 353 | 4 | 0 | 6 | 2.6 | C[C@@H]1CN(c2ccccn2)C(=O)c2cc(COc3ccc(F)cn3)nn21 | 10.1021/acs.jmedchem.5b01005 | ||
| 122456062 | 162425 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4166631 | 162425 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 10385210 | 13000 | 0 | None | -2 | 3 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 309 | 5 | 3 | 6 | 0.0 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc([N+](=O)[O-])c2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL1189910 | 13000 | 0 | None | -2 | 3 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 309 | 5 | 3 | 6 | 0.0 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc([N+](=O)[O-])c2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| CHEMBL539760 | 13000 | 0 | None | -2 | 3 | Rat | 4.0 | pIC50 | = | 4.0 | Functional | ChEMBL | 309 | 5 | 3 | 6 | 0.0 | N[C@]1(C(=O)O)C[C@H](C(=O)O)N(Cc2cccc([N+](=O)[O-])c2)C1 | 10.1016/s0960-894x(01)00329-8 | ||
| 122456062 | 162425 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| CHEMBL4166631 | 162425 | 0 | None | -1 | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 325 | 6 | 0 | 4 | 3.4 | O=c1cc(OCCOc2ccccc2)ccn1-c1ccc(F)cc1 | 10.1021/acsmedchemlett.7b00249 | ||
| 71137012 | 123374 | 0 | None | -11 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616851 | 123374 | 0 | None | -11 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 162654849 | 183646 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4755204 | 183646 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802906 | 183646 | 0 | None | 1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 11298568 | 69346 | 1 | None | -5 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL192977 | 69346 | 1 | None | -5 | 2 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O | 10.1021/jm040222y | ||
| 137635882 | 155870 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 310 | 4 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)C2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4060567 | 155870 | 0 | None | -1 | 2 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 310 | 4 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)C2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 44322840 | 112544 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@]1(C(=O)O)C2C(C[C@H]1O)[C@@H]2C(=O)O | 10.1021/jm000007r | ||
| CHEMBL330097 | 112544 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@]1(C(=O)O)C2C(C[C@H]1O)[C@@H]2C(=O)O | 10.1021/jm000007r | ||
| 1378 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm000007r | ||
| 1399 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm000007r | ||
| 9819927 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm000007r | ||
| CHEMBL432038 | 2401 | 54 | None | 2 | 14 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm000007r | ||
| 44322529 | 206843 | 1 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 367 | 6 | 3 | 4 | 3.1 | N[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CCC1c2ccccc2Oc2ccccc21 | 10.1021/jm000007r | ||
| CHEMBL90675 | 206843 | 1 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 367 | 6 | 3 | 4 | 3.1 | N[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CCC1c2ccccc2Oc2ccccc21 | 10.1021/jm000007r | ||
| 44322921 | 206814 | 1 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)CC2CC1[C@H]2C(=O)O | 10.1021/jm000007r | ||
| CHEMBL90501 | 206814 | 1 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)CC2CC1[C@H]2C(=O)O | 10.1021/jm000007r | ||
| 6324634 | 147919 | 11 | None | -6 | 2 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 355 | 10 | 3 | 3 | 3.5 | N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| CHEMBL39338 | 147919 | 11 | None | -6 | 2 | Human | 4.5 | pKi | = | 4.5 | Functional | ChEMBL | 355 | 10 | 3 | 3 | 3.5 | N[C@@H](C[C@H](CCCC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| 1393 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000007r | ||
| 1396 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000007r | ||
| 213056 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000007r | ||
| CHEMBL8759 | 1527 | 64 | None | -4 | 6 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000007r | ||
| 10197984 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm000007r | ||
| 1394 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm000007r | ||
| CHEMBL275079 | 2405 | 44 | None | -1 | 5 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm000007r | ||
| 1370 | 3239 | 67 | None | - | 6 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm000007r | ||
| 1372 | 3239 | 67 | None | - | 6 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm000007r | ||
| 40539 | 3239 | 67 | None | - | 6 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm000007r | ||
| 6971145 | 3239 | 67 | None | - | 6 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm000007r | ||
| CHEMBL279956 | 3239 | 67 | None | - | 6 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm000007r | ||
| DB02999 | 3239 | 67 | None | - | 6 | Human | 4.4 | pKi | = | 4.4 | Functional | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm000007r | ||
| 1392 | 73 | 48 | None | -9 | 4 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1021/jm000007r | ||
| 5310984 | 73 | 48 | None | -9 | 4 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1021/jm000007r | ||
| CHEMBL40086 | 73 | 48 | None | -9 | 4 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10.1021/jm000007r | ||
| 1368 | 2277 | 37 | None | - | 11 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| 5310956 | 2277 | 37 | None | - | 11 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| CHEMBL280563 | 2277 | 37 | None | - | 11 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| 10330132 | 101355 | 1 | None | -10 | 2 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 189 | 2 | 4 | 5 | -2.2 | NN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O | 10.1021/jm000007r | ||
| CHEMBL297150 | 101355 | 1 | None | -10 | 2 | Human | 4.3 | pKi | = | 4.3 | Functional | ChEMBL | 189 | 2 | 4 | 5 | -2.2 | NN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O | 10.1021/jm000007r | ||
| 10359073 | 154950 | 1 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 327 | 8 | 3 | 3 | 2.7 | N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| CHEMBL40123 | 154950 | 1 | None | 1 | 2 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 327 | 8 | 3 | 3 | 2.7 | N[C@@H](C[C@H](CC(c1ccccc1)c1ccccc1)C(=O)O)C(=O)O | 10.1021/jm000007r | ||
| 10058694 | 206580 | 1 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CSC2C1[C@H]2C(=O)O | 10.1021/jm000007r | ||
| CHEMBL88999 | 206580 | 1 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CSC2C1[C@H]2C(=O)O | 10.1021/jm000007r | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm000007r | ||
| 1310 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 1369 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 33032 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 44272391 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 88747398 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| CHEMBL575060 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| DB00142 | 2303 | 110 | None | -29 | 17 | Rat | 8.3 | pEC50 | = | 8.3 | Functional | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 49836087 | 1056 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 328 | 2 | 2 | 4 | 3.3 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl | 21105727 | ||
| 6222 | 1056 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 328 | 2 | 2 | 4 | 3.3 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl | 21105727 | ||
| CHEMBL1630805 | 1056 | 0 | None | -16 | 2 | Human | 4.9 | pEC50 | = | 4.9 | Functional | Guide to Pharmacology | 328 | 2 | 2 | 4 | 3.3 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)Cl | 21105727 | ||
| 49858118 | 1103 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 324 | 3 | 2 | 5 | 2.7 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC | 21105727 | ||
| 6224 | 1103 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 324 | 3 | 2 | 5 | 2.7 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC | 21105727 | ||
| CHEMBL1630807 | 1103 | 0 | None | -10 | 2 | Human | 5.0 | pEC50 | = | 5.0 | Functional | Guide to Pharmacology | 324 | 3 | 2 | 5 | 2.7 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)OC | 21105727 | ||
| 49858117 | 1084 | 4 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 308 | 2 | 2 | 4 | 3.0 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C | 21105727 | ||
| 6223 | 1084 | 4 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 308 | 2 | 2 | 4 | 3.0 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C | 21105727 | ||
| CHEMBL1630806 | 1084 | 4 | None | -5 | 2 | Human | 5.1 | pEC50 | = | 5.1 | Functional | Guide to Pharmacology | 308 | 2 | 2 | 4 | 3.0 | O/N=C\1/c2ccccc2OC2(C1C2)C(=O)Nc1ccc(cc1)C | 21105727 | ||
| 1310 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| 1369 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| 33032 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| 44272391 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| 88747398 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| CHEMBL575060 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| DB00142 | 2303 | 110 | None | -251 | 17 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10443583 | ||
| 6219 | 2568 | 0 | None | -1 | 3 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 401 | 1 | 1 | 3 | 4.0 | N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I | 17416742 | ||
| 73755191 | 2568 | 0 | None | -1 | 3 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | Guide to Pharmacology | 401 | 1 | 1 | 3 | 4.0 | N#Cc1cccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)I | 17416742 | ||
| 11158623 | 3326 | 11 | None | -1 | 4 | Rat | 8.0 | pIC50 | < | 8 | Functional | Guide to Pharmacology | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 20971004 | ||
| 6226 | 3326 | 11 | None | -1 | 4 | Rat | 8.0 | pIC50 | < | 8 | Functional | Guide to Pharmacology | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 20971004 | ||
| CHEMBL1629855 | 3326 | 11 | None | -1 | 4 | Rat | 8.0 | pIC50 | < | 8 | Functional | Guide to Pharmacology | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 20971004 | ||
| 11503055 | 2385 | 3 | None | 31 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 22607673 | ||
| 9694 | 2385 | 3 | None | 31 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 22607673 | ||
| CHEMBL2204436 | 2385 | 3 | None | 31 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | Guide to Pharmacology | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 22607673 | ||
| 56587994 | 4014 | 41 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 22607673 | ||
| 6225 | 4014 | 41 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 22607673 | ||
| CHEMBL2204445 | 4014 | 41 | None | 1 | 2 | Rat | 6.0 | pIC50 | = | 6 | Functional | Guide to Pharmacology | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 22607673 | ||
| 60204017 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 23718281 | ||
| 8765 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 23718281 | ||
| CHEMBL2385886 | 2556 | 30 | None | - | 1 | Rat | 6.2 | pIC50 | = | 6.2 | Functional | Guide to Pharmacology | 353 | 2 | 1 | 3 | 2.8 | COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O | 23718281 | ||
| 10237 | 4020 | 20 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 26335039 | ||
| 122190433 | 4020 | 20 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 26335039 | ||
| CHEMBL3617655 | 4020 | 20 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | Guide to Pharmacology | 387 | 4 | 0 | 6 | 3.3 | Clc1ccc(nc1)OCc1nn2c(c1)C(=O)N(C[C@H]2C)c1cccnc1F | 26335039 | ||
| 11158623 | 3326 | 11 | None | -50 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 22091727 | ||
| 6226 | 3326 | 11 | None | -50 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 22091727 | ||
| CHEMBL1629855 | 3326 | 11 | None | -50 | 4 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 22091727 | ||
| 6220 | 2569 | 0 | None | -1 | 3 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 405 | 2 | 1 | 3 | 5.4 | O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1 | 17416742 | ||
| 73755192 | 2569 | 0 | None | -1 | 3 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 405 | 2 | 1 | 3 | 5.4 | O=C1CCC(=Nc2c(N1)ccc(c2)Br)c1cccc(c1)c1ccncc1 | 17416742 | ||
| 6221 | 2570 | 0 | None | -1 | 3 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 354 | 1 | 1 | 4 | 3.6 | N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br | 17416742 | ||
| 73755193 | 2570 | 0 | None | -1 | 3 | Rat | 7.7 | pIC50 | = | 7.7 | Functional | Guide to Pharmacology | 354 | 1 | 1 | 4 | 3.6 | N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)CC1)Br | 17416742 | ||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 9794208 | 90021 | 4 | None | - | 0 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | 199 | 2 | 3 | 4 | -1.3 | N[C@@]1(C(=O)O)CC(=O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/jm4000165 | ||
| CHEMBL2381640 | 90021 | 4 | None | - | 0 | Human | 10.0 | pEC50 | = | 10.0 | Binding | ChEMBL | 199 | 2 | 3 | 4 | -1.3 | N[C@@]1(C(=O)O)CC(=O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/jm4000165 | ||
| 139119037 | 90033 | 2 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)C[C@@H](F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| 15479143 | 90033 | 2 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)C[C@@H](F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| CHEMBL2381652 | 90033 | 2 | None | - | 0 | Human | 9.6 | pEC50 | = | 9.6 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)C[C@@H](F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm4000165 | ||
| 6603885 | 102174 | 23 | None | - | 0 | Rat | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 158 | 2 | 3 | 5 | -0.5 | N[C@H](C(=O)O)c1cc(O)no1 | 10.1021/jm00009a001 | ||
| 6971208 | 102174 | 23 | None | - | 0 | Rat | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 158 | 2 | 3 | 5 | -0.5 | N[C@H](C(=O)O)c1cc(O)no1 | 10.1021/jm00009a001 | ||
| CHEMBL30285 | 102174 | 23 | None | - | 0 | Rat | 5.0 | pEC50 | = | 5 | Binding | ChEMBL | 158 | 2 | 3 | 5 | -0.5 | N[C@H](C(=O)O)c1cc(O)no1 | 10.1021/jm00009a001 | ||
| 90643879 | 111846 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 456 | 12 | 2 | 6 | 5.4 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287702 | 111846 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 456 | 12 | 2 | 6 | 5.4 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C | 10.1021/jm5000563 | ||
| 164609979 | 184551 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1ccc(C(=O)O)cc1OC[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4848547 | 184551 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1ccc(C(=O)O)cc1OC[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 164619502 | 186176 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)c(F)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4872955 | 186176 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)c(F)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164621278 | 185508 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(OC[C@H](C)Oc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4862801 | 185508 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(OC[C@H](C)Oc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164620998 | 185849 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 432 | 10 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2ccc(C(=O)O)c(F)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4868114 | 185849 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 432 | 10 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2ccc(C(=O)O)c(F)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164619969 | 185505 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(O[C@@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4862778 | 185505 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(O[C@@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 90643874 | 111841 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 434 | 11 | 2 | 5 | 5.5 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287697 | 111841 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 434 | 11 | 2 | 5 | 5.5 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| 164610619 | 184730 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4850952 | 184730 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 71681823 | 90025 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 226 | 3 | 3 | 4 | -0.2 | [N-]=[N+]=N[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 | 10.1021/jm4000165 | ||
| CHEMBL2381644 | 90025 | 0 | None | - | 0 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 226 | 3 | 3 | 4 | -0.2 | [N-]=[N+]=N[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 | 10.1021/jm4000165 | ||
| 164627219 | 186357 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(OC[C@@H](C)Oc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4875653 | 186357 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(OC[C@@H](C)Oc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164614107 | 185106 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 432 | 10 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4856556 | 185106 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 432 | 10 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164609025 | 184417 | 0 | None | - | 0 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 448 | 10 | 2 | 5 | 5.9 | Cc1c(OCCCCOc2ccc(Cl)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4846460 | 184417 | 0 | None | - | 0 | Rat | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 448 | 10 | 2 | 5 | 5.9 | Cc1c(OCCCCOc2ccc(Cl)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164611059 | 184555 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4848600 | 184555 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164611874 | 185090 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 428 | 9 | 2 | 5 | 5.4 | Cc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4856242 | 185090 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 428 | 9 | 2 | 5 | 5.4 | Cc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| 70052526 | 90023 | 2 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/jm4000165 | ||
| CHEMBL2381642 | 90023 | 2 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/jm4000165 | ||
| 90643871 | 111837 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 418 | 11 | 2 | 5 | 5.0 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287693 | 111837 | 0 | None | - | 0 | Rat | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 418 | 11 | 2 | 5 | 5.0 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2F)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| 90643860 | 111822 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 400 | 11 | 2 | 5 | 4.9 | Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287675 | 111822 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 400 | 11 | 2 | 5 | 4.9 | Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| 164611067 | 184592 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4849142 | 184592 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1cc(OC[C@H](C)COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| 70051926 | 90022 | 2 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 197 | 2 | 3 | 3 | -0.3 | C=C1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| CHEMBL2381641 | 90022 | 2 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 197 | 2 | 3 | 3 | -0.3 | C=C1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| 90643887 | 111867 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287723 | 111867 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 164615875 | 185420 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 2 | 5 | 5.4 | Cc1cc(C(=O)O)ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4861618 | 185420 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 2 | 5 | 5.4 | Cc1cc(C(=O)O)ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 164623088 | 185461 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 448 | 9 | 2 | 5 | 5.8 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4862244 | 185461 | 0 | None | - | 0 | Rat | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 448 | 9 | 2 | 5 | 5.8 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)cc2Cl)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 11344646 | 126750 | 1 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| CHEMBL365368 | 126750 | 1 | None | 1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| 164610947 | 185227 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 415 | 10 | 2 | 6 | 4.7 | Cc1c(OCCCCOc2cncc(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4858387 | 185227 | 0 | None | - | 0 | Rat | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 415 | 10 | 2 | 6 | 4.7 | Cc1c(OCCCCOc2cncc(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 90643883 | 111862 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 416 | 12 | 2 | 6 | 4.6 | CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(=O)O)c(C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287718 | 111862 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 416 | 12 | 2 | 6 | 4.6 | CCCC(=O)c1ccc(OCCCCOc2c(OC)cccc2C(=O)O)c(C)c1O | 10.1021/jm5000563 | ||
| 164609925 | 185243 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1O[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4858717 | 185243 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1O[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 90643869 | 111835 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 414 | 11 | 2 | 5 | 5.2 | Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287691 | 111835 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 414 | 11 | 2 | 5 | 5.2 | Cc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 90643873 | 111840 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 456 | 13 | 2 | 6 | 5.4 | Cc1c(OCCCCOCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287696 | 111840 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 456 | 13 | 2 | 6 | 5.4 | Cc1c(OCCCCOCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| 60096211 | 90030 | 0 | None | 5 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| CHEMBL2381649 | 90030 | 0 | None | 5 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| 90643863 | 111829 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 434 | 11 | 2 | 5 | 5.5 | Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287683 | 111829 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 434 | 11 | 2 | 5 | 5.5 | Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| 164624284 | 186005 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 448 | 9 | 2 | 5 | 5.8 | Cc1c(OC[C@@H](C)COc2ccc(Cl)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4870631 | 186005 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 448 | 9 | 2 | 5 | 5.8 | Cc1c(OC[C@@H](C)COc2ccc(Cl)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164613604 | 185160 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1O[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4857426 | 185160 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1O[C@@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 90643864 | 111830 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 11 | 2 | 5 | 6.1 | Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287684 | 111830 | 0 | None | - | 0 | Rat | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 460 | 11 | 2 | 5 | 6.1 | Cc1c(OCCCCOc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| 71681825 | 90026 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 226 | 3 | 3 | 4 | -0.2 | [N-]=[N+]=N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| CHEMBL2381645 | 90026 | 0 | None | - | 0 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 226 | 3 | 3 | 4 | -0.2 | [N-]=[N+]=N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| 11275666 | 90028 | 1 | None | 15 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| CHEMBL2381647 | 90028 | 1 | None | 15 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm4000165 | ||
| 164612248 | 184866 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(O[C@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4852903 | 184866 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 418 | 8 | 2 | 5 | 5.0 | Cc1c(O[C@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 90643866 | 111832 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 444 | 11 | 2 | 5 | 5.5 | Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287688 | 111832 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 444 | 11 | 2 | 5 | 5.5 | Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| 90643889 | 111870 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 432 | 10 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287726 | 111870 | 0 | None | - | 0 | Rat | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 432 | 10 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1021/jm5000563 | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm4000165 | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm4000165 | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm4000165 | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm4000165 | ||
| 56929215 | 111820 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 400 | 11 | 2 | 5 | 4.9 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287671 | 111820 | 0 | None | - | 0 | Rat | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 400 | 11 | 2 | 5 | 4.9 | Cc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| 1377 | 1328 | 26 | None | -2 | 6 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/jm00009a001 | ||
| 5310979 | 1328 | 26 | None | -2 | 6 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/jm00009a001 | ||
| CHEMBL284193 | 1328 | 26 | None | -2 | 6 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/jm00009a001 | ||
| 86765132 | 111869 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.6 | Cc1c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cccc1C(=O)O | 10.1021/jm5000563 | ||
| CHEMBL3287725 | 111869 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.6 | Cc1c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cccc1C(=O)O | 10.1021/jm5000563 | ||
| 1310 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| 1369 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| 33032 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| 44272391 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| 88747398 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| CHEMBL575060 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| DB00142 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/jm00009a001 | ||
| 6604704 | 101373 | 35 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | N[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1 | 10.1021/jm970719q | ||
| CHEMBL29726 | 101373 | 35 | None | - | 0 | Human | 4.5 | pEC50 | = | 4.5 | Binding | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | N[C@@]1(C(=O)O)CC[C@H](C(=O)O)C1 | 10.1021/jm970719q | ||
| 164627946 | 186360 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.6 | Cc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4875695 | 186360 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.6 | Cc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| 90643888 | 111868 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287724 | 111868 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 1310 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 1369 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 33032 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 44272391 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 88747398 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| CHEMBL575060 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| DB00142 | 2303 | 110 | None | -1 | 18 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 90643861 | 111823 | 0 | None | - | 0 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 426 | 11 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287676 | 111823 | 0 | None | - | 0 | Rat | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 426 | 11 | 2 | 5 | 5.4 | Cc1c(OCCCCOc2cccc(C(=O)O)c2)ccc(C(=O)CC2CCCC2)c1O | 10.1021/jm5000563 | ||
| 164623240 | 185696 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1OC[C@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4865723 | 185696 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1OC[C@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 164616933 | 185041 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1ccc(C(=O)O)cc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4855540 | 185041 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1ccc(C(=O)O)cc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 90643876 | 111843 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 414 | 11 | 2 | 5 | 5.2 | Cc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1C(=O)O | 10.1021/jm5000563 | ||
| CHEMBL3287699 | 111843 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 414 | 11 | 2 | 5 | 5.2 | Cc1cc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)ccc1C(=O)O | 10.1021/jm5000563 | ||
| 164624303 | 186033 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2cc(C(=O)O)ccc2F)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4871013 | 186033 | 0 | None | - | 0 | Rat | 5.4 | pEC50 | = | 5.4 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@@H](C)COc2cc(C(=O)O)ccc2F)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 1370 | 3239 | 67 | None | - | 8 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm00009a001 | ||
| 1372 | 3239 | 67 | None | - | 8 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm00009a001 | ||
| 40539 | 3239 | 67 | None | - | 8 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm00009a001 | ||
| 6971145 | 3239 | 67 | None | - | 8 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm00009a001 | ||
| CHEMBL279956 | 3239 | 67 | None | - | 8 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm00009a001 | ||
| DB02999 | 3239 | 67 | None | - | 8 | Rat | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | 10.1021/jm00009a001 | ||
| 90643886 | 111865 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 404 | 11 | 2 | 5 | 4.8 | CCCC(=O)c1ccc(OCCCCOc2ccc(F)c(C(=O)O)c2)c(C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287721 | 111865 | 0 | None | - | 0 | Rat | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 404 | 11 | 2 | 5 | 4.8 | CCCC(=O)c1ccc(OCCCCOc2ccc(F)c(C(=O)O)c2)c(C)c1O | 10.1021/jm5000563 | ||
| 164616255 | 184924 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 445 | 10 | 2 | 5 | 5.1 | CNC(=O)c1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1F | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4853748 | 184924 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 445 | 10 | 2 | 5 | 5.1 | CNC(=O)c1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)ccc1F | 10.1016/j.bmcl.2021.128342 | ||
| 164608826 | 184443 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4846872 | 184443 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1ccc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| 90643884 | 111863 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 416 | 12 | 2 | 6 | 4.6 | CCCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287719 | 111863 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 416 | 12 | 2 | 6 | 4.6 | CCCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O | 10.1021/jm5000563 | ||
| 164611777 | 184901 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1cc(C(=O)O)ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4853369 | 184901 | 0 | None | - | 0 | Rat | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 444 | 10 | 2 | 6 | 5.1 | COc1cc(C(=O)O)ccc1OC[C@H](C)COc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 71681824 | 90027 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 | 10.1021/jm4000165 | ||
| CHEMBL2381646 | 90027 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]21 | 10.1021/jm4000165 | ||
| 1310 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 1369 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 33032 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 44272391 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 88747398 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| CHEMBL575060 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| DB00142 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 90643881 | 111858 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 416 | 11 | 2 | 6 | 4.5 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287714 | 111858 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 416 | 11 | 2 | 6 | 4.5 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)C(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 11084869 | 90024 | 2 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/jm4000165 | ||
| CHEMBL2381643 | 90024 | 2 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/jm4000165 | ||
| 1310 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 1369 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 33032 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 44272391 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 88747398 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| CHEMBL575060 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| DB00142 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 1310 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 1369 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 33032 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 44272391 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 88747398 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| CHEMBL575060 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| DB00142 | 2303 | 110 | None | -1 | 18 | Rat | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1021/acs.jmedchem.5b01333 | ||
| 90643858 | 111839 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 430 | 12 | 2 | 6 | 4.9 | COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287695 | 111839 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 430 | 12 | 2 | 6 | 4.9 | COc1cc(C(=O)O)ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 90643880 | 111853 | 0 | None | - | 0 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.2 | CCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287709 | 111853 | 0 | None | - | 0 | Rat | 5.2 | pEC50 | = | 5.2 | Binding | ChEMBL | 402 | 11 | 2 | 6 | 4.2 | CCC(=O)c1ccc(OCCCCOc2cc(C(=O)O)ccc2OC)c(C)c1O | 10.1021/jm5000563 | ||
| 164624801 | 186187 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4873125 | 186187 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 432 | 9 | 2 | 5 | 5.3 | Cc1c(OC[C@H](C)COc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164617451 | 184928 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc(C(=O)O)c1 | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4853794 | 184928 | 0 | None | - | 0 | Rat | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 444 | 11 | 2 | 6 | 5.3 | COc1cc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc(C(=O)O)c1 | 10.1016/j.bmcl.2021.128342 | ||
| 90643878 | 111845 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 12 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| CHEMBL3287701 | 111845 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 12 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C | 10.1021/jm5000563 | ||
| 164621310 | 185541 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 429 | 10 | 2 | 6 | 5.0 | Cc1ncc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4863303 | 185541 | 0 | None | - | 0 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 429 | 10 | 2 | 6 | 5.0 | Cc1ncc(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)cc1C(=O)O | 10.1016/j.bmcl.2021.128342 | ||
| 1377 | 1328 | 26 | None | -2 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.5b01333 | ||
| 5310979 | 1328 | 26 | None | -2 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.5b01333 | ||
| CHEMBL284193 | 1328 | 26 | None | -2 | 6 | Rat | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.5b01333 | ||
| 104766 | 34 | 42 | None | -10 | 11 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10.1021/jm00009a001 | ||
| 1365 | 34 | 42 | None | -10 | 11 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10.1021/jm00009a001 | ||
| CHEMBL34453 | 34 | 42 | None | -10 | 11 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10.1021/jm00009a001 | ||
| 164616491 | 185367 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1OC[C@@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4860693 | 185367 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 430 | 9 | 2 | 6 | 4.9 | COc1ccc(C(=O)O)cc1OC[C@@H](C)Oc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 164620553 | 185745 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 448 | 9 | 2 | 5 | 5.8 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4866466 | 185745 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 448 | 9 | 2 | 5 | 5.8 | Cc1c(OC[C@@H](C)COc2ccc(C(=O)O)c(Cl)c2)ccc(C(=O)CC(C)(C)C)c1O | 10.1016/j.bmcl.2021.128342 | ||
| 164625596 | 185718 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.6 | Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| CHEMBL4866163 | 185718 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 428 | 10 | 2 | 5 | 5.6 | Cc1ccc(C(=O)O)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C | 10.1016/j.bmcl.2021.128342 | ||
| 139054390 | 204900 | 106 | None | - | 5 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | 10.1021/jm9703597 | ||
| 23327 | 204900 | 106 | None | - | 5 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | 10.1021/jm9703597 | ||
| CHEMBL76232 | 204900 | 106 | None | - | 5 | Rat | 5.1 | pEC50 | = | 5.1 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | 10.1021/jm9703597 | ||
| 90643865 | 111831 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 418 | 11 | 2 | 5 | 5.0 | Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| CHEMBL3287687 | 111831 | 0 | None | - | 0 | Rat | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 418 | 11 | 2 | 5 | 5.0 | Cc1c(OCCCCOc2ccc(F)c(C(=O)O)c2)ccc(C(=O)CC(C)C)c1O | 10.1021/jm5000563 | ||
| 70052526 | 90023 | 2 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL2381642 | 90023 | 2 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 145949267 | 162793 | 6 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4172540 | 162793 | 6 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@@H](COc1ccn(-c2ccc(F)cc2)c(=O)c1)Oc1ccccc1 | 10.1016/j.bmcl.2019.07.030 | ||
| 10089411 | 7495 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.7 | NC(C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CC1c2ccccc2Oc2ccccc21 | 10.1016/s0960-894x(01)00656-4 | ||
| CHEMBL108735 | 7495 | 0 | None | - | 1 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.7 | NC(C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CC1c2ccccc2Oc2ccccc21 | 10.1016/s0960-894x(01)00656-4 | ||
| 155533264 | 171800 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 335 | 6 | 0 | 4 | 4.0 | Cc1cccc(-n2ccc(OC[C@H](C)Oc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4468538 | 171800 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 335 | 6 | 0 | 4 | 4.0 | Cc1cccc(-n2ccc(OC[C@H](C)Oc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 155556417 | 174475 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 4.2 | Cc1cccc(-n2ccc(OC[C@H](C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4554871 | 174475 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 4.2 | Cc1cccc(-n2ccc(OC[C@H](C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 1378 | 2401 | 54 | None | -5 | 10 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| 1399 | 2401 | 54 | None | -5 | 10 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| 9819927 | 2401 | 54 | None | -5 | 10 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| CHEMBL432038 | 2401 | 54 | None | -5 | 10 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| 155542406 | 173102 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 369 | 7 | 0 | 4 | 4.6 | C[C@H](COc1ccccc1)COc1ccn(-c2cccc(Cl)c2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4520808 | 173102 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 369 | 7 | 0 | 4 | 4.6 | C[C@H](COc1ccccc1)COc1ccn(-c2cccc(Cl)c2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 56587994 | 4014 | 41 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| 6225 | 4014 | 41 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204445 | 4014 | 41 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| 56587994 | 4014 | 41 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| 6225 | 4014 | 41 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204445 | 4014 | 41 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | OC[C@@H]1CCCN(C1)C(=O)c1ccc(cc1)C#Cc1ccc(cc1)OC | 10.1016/j.bmcl.2012.04.112 | ||
| 155563014 | 175265 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 335 | 6 | 0 | 4 | 4.0 | Cc1cccc(-n2ccc(O[C@H](C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4572957 | 175265 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 335 | 6 | 0 | 4 | 4.0 | Cc1cccc(-n2ccc(O[C@H](C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 1378 | 2401 | 54 | None | -5 | 10 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(01)00656-4 | ||
| 1399 | 2401 | 54 | None | -5 | 10 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(01)00656-4 | ||
| 9819927 | 2401 | 54 | None | -5 | 10 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(01)00656-4 | ||
| CHEMBL432038 | 2401 | 54 | None | -5 | 10 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1016/s0960-894x(01)00656-4 | ||
| 11503055 | 2385 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1016/j.bmcl.2012.04.112 | ||
| 9694 | 2385 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204436 | 2385 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1016/j.bmcl.2012.04.112 | ||
| 53393868 | 83575 | 7 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204442 | 83575 | 7 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 53393868 | 83575 | 7 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204442 | 83575 | 7 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 1397 | 2512 | 15 | None | -2 | 5 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 9886034 | 2512 | 15 | None | -2 | 5 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL186453 | 2512 | 15 | None | -2 | 5 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 53393854 | 83573 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204439 | 83573 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 53393854 | 83573 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204439 | 83573 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCCC(O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 11158623 | 3326 | 11 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 10.1016/j.bmcl.2012.04.112 | ||
| 6226 | 3326 | 11 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL1629855 | 3326 | 11 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 10.1016/j.bmcl.2012.04.112 | ||
| 11158623 | 3326 | 11 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 10.1021/jm400439t | ||
| 6226 | 3326 | 11 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 10.1021/jm400439t | ||
| CHEMBL1629855 | 3326 | 11 | None | - | 2 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 2 | 1 | 3 | 6.2 | O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1cc(C)nc(c1)C | 10.1021/jm400439t | ||
| 155544343 | 173355 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 4.3 | C[C@H](COc1ccccc1)Oc1ccn(-c2ccc(Cl)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4527797 | 173355 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 4.3 | C[C@H](COc1ccccc1)Oc1ccn(-c2ccc(Cl)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 68290289 | 117628 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 4 | 0 | 4 | 3.6 | O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn21 | 10.1016/j.bmcl.2015.01.038 | ||
| CHEMBL3401195 | 117628 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 337 | 4 | 0 | 4 | 3.6 | O=C1N(c2ccc(F)cc2)CCc2nc(COc3ccccc3)cn21 | 10.1016/j.bmcl.2015.01.038 | ||
| 155538767 | 173237 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@H](COc1ccccc1)Oc1ccn(-c2ccc(F)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4524912 | 173237 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 339 | 6 | 0 | 4 | 3.8 | C[C@H](COc1ccccc1)Oc1ccn(-c2ccc(F)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 155541818 | 173044 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 4.2 | Cc1cccc(-n2ccc(OC[C@@H](C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4519557 | 173044 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 4.2 | Cc1cccc(-n2ccc(OC[C@@H](C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 155518189 | 170244 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 353 | 7 | 0 | 4 | 4.1 | CC(COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4446121 | 170244 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 353 | 7 | 0 | 4 | 4.1 | CC(COc1ccccc1)COc1ccn(-c2ccc(F)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 155567480 | 175876 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 4.2 | Cc1cccc(-n2ccc(OCC(C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4586828 | 175876 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 7 | 0 | 4 | 4.2 | Cc1cccc(-n2ccc(OCC(C)COc3ccccc3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 56587985 | 83576 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204446 | 83576 | 2 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 53338952 | 83571 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204437 | 83571 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 53338952 | 83571 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204437 | 83571 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 335 | 2 | 1 | 3 | 2.7 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 155512594 | 169638 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.9 | Cc1cccc(-n2ccc(OCC3CCc4ccccc4O3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4437442 | 169638 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 347 | 4 | 0 | 4 | 3.9 | Cc1cccc(-n2ccc(OCC3CCc4ccccc4O3)cc2=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 11503055 | 2385 | 3 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1016/j.bmcl.2012.04.112 | ||
| 9694 | 2385 | 3 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204436 | 2385 | 3 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.9 | Clc1ccc(c(c1)Cl)CN[C@H]1CCN(C1)c1ncc(cn1)Br | 10.1016/j.bmcl.2012.04.112 | ||
| 56587992 | 83572 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204438 | 83572 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 56587992 | 83572 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204438 | 83572 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 2 | 1 | 3 | 3.1 | COc1ccc(C#Cc2ccc(C(=O)N3CCC(C)(O)CC3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 155522365 | 170637 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 4.3 | C[C@H](COc1ccccc1)Oc1ccn(-c2cccc(Cl)c2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4451520 | 170637 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 6 | 0 | 4 | 4.3 | C[C@H](COc1ccccc1)Oc1ccn(-c2cccc(Cl)c2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 56587985 | 83576 | 2 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204446 | 83576 | 2 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 3 | 1 | 3 | 2.9 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](CO)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 56587978 | 83574 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 3.0 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](C(=O)O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204440 | 83574 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 3.0 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](C(=O)O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 56587978 | 83574 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 3.0 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](C(=O)O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| CHEMBL2204440 | 83574 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 3.0 | COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@H](C(=O)O)C3)cc2)cc1 | 10.1016/j.bmcl.2012.04.112 | ||
| 11084869 | 90024 | 2 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL2381643 | 90024 | 2 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 201 | 2 | 4 | 4 | -1.5 | N[C@@]1(C(=O)O)C[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 68290572 | 117611 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 4 | 0 | 5 | 3.2 | O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12 | 10.1016/j.bmcl.2015.01.038 | ||
| CHEMBL3401177 | 117611 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 335 | 4 | 0 | 5 | 3.2 | O=c1n(-c2ccc(F)cc2)ccc2nc(COc3ccccc3)cn12 | 10.1016/j.bmcl.2015.01.038 | ||
| 9885546 | 110511 | 0 | None | - | 1 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 367 | 6 | 3 | 4 | 3.1 | NC(C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CCC1c2ccccc2Oc2ccccc21 | 10.1016/s0960-894x(01)00656-4 | ||
| CHEMBL325140 | 110511 | 0 | None | - | 1 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 367 | 6 | 3 | 4 | 3.1 | NC(C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CCC1c2ccccc2Oc2ccccc21 | 10.1016/s0960-894x(01)00656-4 | ||
| 155517751 | 170214 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.7 | O=c1cc(OCC2CCc3ccccc3O2)ccn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4445711 | 170214 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 351 | 4 | 0 | 4 | 3.7 | O=c1cc(OCC2CCc3ccccc3O2)ccn1-c1ccc(F)cc1 | 10.1016/j.bmcl.2019.07.030 | ||
| 155536972 | 172212 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 7 | 0 | 4 | 4.6 | C[C@H](COc1ccccc1)COc1ccn(-c2ccc(Cl)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| CHEMBL4474204 | 172212 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 7 | 0 | 4 | 4.6 | C[C@H](COc1ccccc1)COc1ccn(-c2ccc(Cl)cc2)c(=O)c1 | 10.1016/j.bmcl.2019.07.030 | ||
| 10353365 | 83218 | 1 | None | 5 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL218710 | 83218 | 1 | None | 5 | 2 | Human | 9.8 | pKi | = | 9.8 | Binding | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 60096178 | 156857 | 0 | None | 181 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4071962 | 156857 | 0 | None | 181 | 2 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(Cl)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096231 | 157631 | 15 | None | 446 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4081453 | 157631 | 15 | None | 446 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1cccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)c1 | 10.1021/acs.jmedchem.7b01481 | ||
| 1378 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 1399 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 9819927 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL432038 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/acs.jmedchem.6b01119 | ||
| 60096224 | 156521 | 0 | None | 32 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4068189 | 156521 | 0 | None | 32 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 10197984 | 2405 | 44 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1394 | 2405 | 44 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| CHEMBL275079 | 2405 | 44 | None | -2 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.5b01124 | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/acs.jmedchem.7b01481 | ||
| 60096194 | 156564 | 0 | None | 10 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 0.3 | N[C@@]1(C(=O)O)C[C@H](NCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4068679 | 156564 | 0 | None | 10 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 290 | 5 | 4 | 4 | 0.3 | N[C@@]1(C(=O)O)C[C@H](NCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm050235r | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm050235r | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm050235r | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm050235r | ||
| 71136653 | 123377 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616854 | 123377 | 0 | None | -2 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 10979251 | 90031 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL2381650 | 90031 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 10197984 | 2405 | 44 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1394 | 2405 | 44 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| CHEMBL275079 | 2405 | 44 | None | -2 | 5 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 11298568 | 69346 | 1 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL192977 | 69346 | 1 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@H]2[C@H](C(=O)O)[C@H]2[C@]1(N)C(=O)O | 10.1021/jm040222y | ||
| 11347391 | 66822 | 0 | None | -2 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 5 | 3 | 4 | 0.8 | N[C@@]1(C(=O)O)[C@H](OCc2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL186214 | 66822 | 0 | None | -2 | 2 | Rat | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 309 | 5 | 3 | 4 | 0.8 | N[C@@]1(C(=O)O)[C@H](OCc2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 53240406 | 123370 | 17 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616847 | 123370 | 17 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71136655 | 123375 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616852 | 123375 | 0 | None | 1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 162658340 | 183662 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 405 | 6 | 4 | 5 | 1.9 | N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4760856 | 183662 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 405 | 6 | 4 | 5 | 1.9 | N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803084 | 183662 | 0 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 405 | 6 | 4 | 5 | 1.9 | N[C@@]1(C(=O)O)[C@H](CSCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 10198133 | 206485 | 12 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| CHEMBL8839 | 206485 | 12 | None | 6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| 60096211 | 90030 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL2381649 | 90030 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 242 | 3 | 4 | 4 | -1.4 | CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| 162658781 | 183667 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4759209 | 183667 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803105 | 183667 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 60096190 | 158489 | 0 | None | 102 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(F)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4091203 | 158489 | 0 | None | 102 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(F)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096201 | 158544 | 0 | None | 13 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4091735 | 158544 | 0 | None | 13 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2cccc(O)c2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 60096250 | 158897 | 0 | None | 60 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4095567 | 158897 | 0 | None | 60 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 69669747 | 183629 | 11 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4751065 | 183629 | 11 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802733 | 183629 | 11 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 359 | 5 | 4 | 5 | 0.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)c(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 67705089 | 152231 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 458 | 7 | 4 | 7 | 1.9 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| CHEMBL3969063 | 152231 | 0 | None | 2 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 458 | 7 | 4 | 7 | 1.9 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)c(Cl)c2)[C@@H](Sc2nc[nH]n2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1016/j.bmcl.2016.10.067 | ||
| 60096183 | 159260 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccccc1C(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4099470 | 159260 | 0 | None | 6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccccc1C(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| 162663798 | 183695 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4779554 | 183695 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803378 | 183695 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| 162666357 | 183707 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4784701 | 183707 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803523 | 183707 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2cccc(F)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 162644419 | 183598 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4778355 | 183598 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802356 | 183598 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@]1(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@@H]2[C@H](O)[C@@H]1CSc1ccccc1 | 10.1021/acs.jmedchem.6b01119 | ||
| 71136640 | 123376 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616853 | 123376 | 0 | None | -1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 69669646 | 183655 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 5 | 4 | 5 | 1.1 | Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4757159 | 183655 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 5 | 4 | 5 | 1.1 | Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802990 | 183655 | 0 | None | -1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 5 | 4 | 5 | 1.1 | Cc1ccc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)cc1C | 10.1021/acs.jmedchem.6b01119 | ||
| 162665071 | 183704 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4781638 | 183704 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803454 | 183704 | 0 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 323 | 5 | 4 | 5 | 0.5 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2)[C@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 137659992 | 159212 | 0 | None | 14 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2Cl)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4098939 | 159212 | 0 | None | 14 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 338 | 4 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2Cl)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 71681826 | 90032 | 0 | None | 4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL2381651 | 90032 | 0 | None | 4 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 293 | 4 | 3 | 4 | 1.3 | N[C@@]1(C(=O)O)C[C@H](Sc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 137634033 | 156617 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)CCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4069251 | 156617 | 0 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 332 | 6 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)CCc2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 11275666 | 90028 | 1 | None | 15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL2381647 | 90028 | 1 | None | 15 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 200 | 2 | 4 | 4 | -1.6 | N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/acs.jmedchem.7b01481 | ||
| 11382367 | 66907 | 0 | None | -1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 5 | 3 | 4 | 1.1 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(F)c(F)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL186630 | 66907 | 0 | None | -1 | 2 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 345 | 5 | 3 | 4 | 1.1 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(F)c(F)c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 44361401 | 31311 | 0 | None | 7 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 175 | 3 | 4 | 4 | -1.9 | N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O | 10.1021/jm030967o | ||
| CHEMBL140197 | 31311 | 0 | None | 7 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 175 | 3 | 4 | 4 | -1.9 | N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@@H]1C(=O)O | 10.1021/jm030967o | ||
| 1378 | 2401 | 54 | None | -5 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| 1399 | 2401 | 54 | None | -5 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| 9819927 | 2401 | 54 | None | -5 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| CHEMBL432038 | 2401 | 54 | None | -5 | 10 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10.1021/jm0400294 | ||
| 1395 | 2511 | 15 | None | -2 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1021/jm000346k | ||
| 9837317 | 2511 | 15 | None | -2 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1021/jm000346k | ||
| CHEMBL121053 | 2511 | 15 | None | -2 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 217 | 2 | 3 | 4 | -1.2 | O=C1C[C@@]([C@H]2[C@@H]1[C@]2(F)C(=O)O)(N)C(=O)O | 10.1021/jm000346k | ||
| 11257636 | 168348 | 0 | None | -1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 385 | 6 | 3 | 4 | 2.4 | N[C@@]1(C(=O)O)[C@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL434536 | 168348 | 0 | None | -1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 385 | 6 | 3 | 4 | 2.4 | N[C@@]1(C(=O)O)[C@H](OC(c2ccccc2)c2ccccc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 11310142 | 2406 | 19 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 11614 | 2406 | 19 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL192051 | 2406 | 19 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 69669702 | 183651 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4756556 | 183651 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802948 | 183651 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 354 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](N)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| 162654849 | 183646 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4755204 | 183646 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802906 | 183646 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccccc2F)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 10807972 | 35787 | 1 | None | -1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm000346k | ||
| CHEMBL144151 | 35787 | 1 | None | -1 | 2 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 353 | 5 | 3 | 4 | 2.8 | N[C@@](CC1c2ccccc2Oc2ccccc21)(C(=O)O)[C@H]1C[C@@H]1C(=O)O | 10.1021/jm000346k | ||
| 60096204 | 156100 | 0 | None | 75 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(F)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4063336 | 156100 | 0 | None | 75 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(F)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 1397 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 9886034 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL186453 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 1397 | 2512 | 15 | None | -2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 9886034 | 2512 | 15 | None | -2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| CHEMBL186453 | 2512 | 15 | None | -2 | 5 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1016/j.bmcl.2012.01.039 | ||
| 67637415 | 183663 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 7 | 4 | 7 | 1.9 | Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4759992 | 183663 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 7 | 4 | 7 | 1.9 | Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803099 | 183663 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 438 | 7 | 4 | 7 | 1.9 | Cc1cc(SC[C@@H]2[C@@H](Sc3nc[nH]n3)[C@H]3[C@H](C(=O)O)[C@H]3[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| 60096246 | 155923 | 0 | None | 40 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)cc1 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4061162 | 155923 | 0 | None | 40 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 334 | 5 | 4 | 5 | -0.1 | COc1ccc(C(=O)N[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)cc1 | 10.1021/acs.jmedchem.7b01481 | ||
| 10198133 | 206485 | 12 | None | 6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| CHEMBL8839 | 206485 | 12 | None | 6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| 10198133 | 206485 | 12 | None | 6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL8839 | 206485 | 12 | None | 6 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 11279365 | 67530 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 5 | 3 | 4 | 1.5 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)cc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL189814 | 67530 | 0 | None | -1 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 343 | 5 | 3 | 4 | 1.5 | N[C@@]1(C(=O)O)[C@H](OCc2ccc(Cl)cc2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 9815617 | 114473 | 7 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.4 | N[C@@]1(C(=O)O)CC[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm000346k | ||
| CHEMBL333519 | 114473 | 7 | None | -1 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.4 | N[C@@]1(C(=O)O)CC[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm000346k | ||
| 137656301 | 158658 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 324 | 5 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)CC2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4093017 | 158658 | 0 | None | 1 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 324 | 5 | 4 | 4 | 0.6 | N[C@@]1(C(=O)O)C[C@H](NC(=O)CC2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 90098428 | 123379 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616856 | 123379 | 0 | None | -5 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 10353365 | 83218 | 1 | None | 5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL218710 | 83218 | 1 | None | 5 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 219 | 2 | 3 | 4 | -1.8 | N[C@@]1(C(=O)O)C[S+]([O-])[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 11405687 | 66427 | 0 | None | -2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 359 | 5 | 3 | 4 | 2.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc3ccccc3c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL185210 | 66427 | 0 | None | -2 | 2 | Rat | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 359 | 5 | 3 | 4 | 2.0 | N[C@@]1(C(=O)O)[C@H](OCc2ccc3ccccc3c2)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 60096236 | 158398 | 0 | None | 38 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4090293 | 158398 | 0 | None | 38 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 322 | 4 | 4 | 4 | 0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2F)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 10197984 | 2405 | 44 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1394 | 2405 | 44 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| CHEMBL275079 | 2405 | 44 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm980616n | ||
| 10197984 | 2405 | 44 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm060917u | ||
| 1394 | 2405 | 44 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm060917u | ||
| CHEMBL275079 | 2405 | 44 | None | -2 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10.1021/jm060917u | ||
| 67633340 | 183697 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 355 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4780402 | 183697 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 355 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4803381 | 183697 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 355 | 5 | 4 | 5 | 0.9 | Cc1cc(SC[C@@H]2[C@@H](O)[C@@H]3[C@@H]([C@H]3C(=O)O)[C@]2(N)C(=O)O)ccc1F | 10.1021/acs.jmedchem.6b01119 | ||
| 11344646 | 126750 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm040222y | ||
| CHEMBL365368 | 126750 | 1 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 | 10.1021/jm040222y | ||
| 1393 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| 1396 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| 213056 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| CHEMBL8759 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm000346k | ||
| 71137010 | 123372 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616849 | 123372 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 352 | 4 | 4 | 6 | 0.4 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71131322 | 123380 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616857 | 123380 | 0 | None | -4 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 1310 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 1369 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 33032 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 44272391 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 88747398 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| CHEMBL575060 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| DB00142 | 2303 | 110 | None | 1 | 18 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10.1039/C1MD00186H | ||
| 11310142 | 2406 | 19 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 11614 | 2406 | 19 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL192051 | 2406 | 19 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 10.1021/jm040222y | ||
| 71137012 | 123374 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616851 | 123374 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 11220424 | 158937 | 0 | None | 43 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 304 | 4 | 4 | 4 | -0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4095995 | 158937 | 0 | None | 43 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 304 | 4 | 4 | 4 | -0.1 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccccc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 67637138 | 183594 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4776989 | 183594 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802329 | 183594 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 341 | 5 | 4 | 5 | 0.6 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(F)cc2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 162652146 | 180189 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 5 | 4 | 5 | -0.2 | CC(C)SC[C@@H]1[C@@H](O)[C@@H]2[C@@H]([C@H]2C(=O)O)[C@]1(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4749728 | 180189 | 0 | None | 1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 289 | 5 | 4 | 5 | -0.2 | CC(C)SC[C@@H]1[C@@H](O)[C@@H]2[C@@H]([C@H]2C(=O)O)[C@]1(N)C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 71135411 | 123371 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616848 | 123371 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 71137034 | 123373 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616850 | 123373 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 334 | 5 | 4 | 6 | 0.3 | N[C@@]1(C(=O)O)C[C@@H](Sc2nnc(C(F)F)[nH]2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 71476419 | 123383 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616860 | 123383 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 284 | 4 | 4 | 6 | -0.6 | N[C@@]1(C(=O)O)C[C@H](Sc2c[nH]nn2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.5b01124 | ||
| 9815616 | 114774 | 6 | None | -1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm000346k | ||
| CHEMBL334014 | 114774 | 6 | None | -1 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 203 | 2 | 3 | 3 | -0.5 | N[C@@]1(C(=O)O)[C@@H](F)C[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm000346k | ||
| 10130658 | 66723 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 219 | 2 | 4 | 4 | -1.4 | N[C@@]1(C(=O)O)[C@H](O)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL185822 | 66723 | 0 | None | -2 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 219 | 2 | 4 | 4 | -1.4 | N[C@@]1(C(=O)O)[C@H](O)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 71137011 | 123381 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616858 | 123381 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 299 | 4 | 5 | 7 | -1.0 | Nc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 69669820 | 183616 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 396 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4746125 | 183616 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 396 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1 | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802570 | 183616 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 396 | 6 | 4 | 5 | 1.1 | CC(=O)N[C@H]1[C@H]2[C@H](C(=O)O)[C@H]2[C@](N)(C(=O)O)[C@@H]1CSc1ccc(F)c(C)c1 | 10.1021/acs.jmedchem.6b01119 | ||
| 137635882 | 155870 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 310 | 4 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)C2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4060567 | 155870 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 310 | 4 | 4 | 4 | 0.2 | N[C@@]1(C(=O)O)C[C@H](NC(=O)C2CCCCC2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 71137008 | 123378 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616855 | 123378 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 298 | 4 | 4 | 6 | -0.3 | Cc1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 71136654 | 123382 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| CHEMBL3616859 | 123382 | 0 | None | 4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 326 | 5 | 4 | 6 | 0.5 | CC(C)c1nnc(S[C@H]2C[C@@](N)(C(=O)O)[C@@H]3[C@@H](C(=O)O)[C@H]23)[nH]1 | 10.1021/acs.jmedchem.5b01124 | ||
| 10192719 | 66084 | 0 | None | -2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 233 | 3 | 3 | 4 | -0.8 | CO[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| CHEMBL183956 | 66084 | 0 | None | -2 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 233 | 3 | 3 | 4 | -0.8 | CO[C@@H]1C[C@@H]2[C@H]([C@]1(N)C(=O)O)[C@@]2(F)C(=O)O | 10.1021/jm0400294 | ||
| 60096228 | 156763 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(O)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| CHEMBL4070866 | 156763 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 320 | 4 | 5 | 5 | -0.4 | N[C@@]1(C(=O)O)C[C@H](NC(=O)c2ccc(O)cc2)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/acs.jmedchem.7b01481 | ||
| 10198133 | 206485 | 12 | None | 6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| CHEMBL8839 | 206485 | 12 | None | 6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 203 | 2 | 3 | 4 | -0.8 | N[C@@]1(C(=O)O)CS[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm980616n | ||
| 67633284 | 183623 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 5 | 4 | 5 | 1.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4748699 | 183623 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 5 | 4 | 5 | 1.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| CHEMBL4802655 | 183623 | 0 | None | -1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 391 | 5 | 4 | 5 | 1.8 | N[C@@]1(C(=O)O)[C@H](CSc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]2[C@H]1[C@H]2C(=O)O | 10.1021/acs.jmedchem.6b01119 | ||
| 9834591 | 137575 | 69 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 235 | 2 | 3 | 5 | -2.1 | N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| CHEMBL375611 | 137575 | 69 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 235 | 2 | 3 | 5 | -2.1 | N[C@@]1(C(=O)O)CS(=O)(=O)[C@H]2[C@H](C(=O)O)[C@H]21 | 10.1021/jm060917u | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm040222y | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm980616n | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10.1021/jm060917u | ||
| 1378 | 2401 | 54 | None | -5 | 10 | Rat | 7.3 | pKd | None | 7.3 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| 1399 | 2401 | 54 | None | -5 | 10 | Rat | 7.3 | pKd | None | 7.3 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| 9819927 | 2401 | 54 | None | -5 | 10 | Rat | 7.3 | pKd | None | 7.3 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| CHEMBL432038 | 2401 | 54 | None | -5 | 10 | Rat | 7.3 | pKd | None | 7.3 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| 1378 | 2401 | 54 | None | 1 | 10 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| 1399 | 2401 | 54 | None | 1 | 10 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| 9819927 | 2401 | 54 | None | 1 | 10 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| CHEMBL432038 | 2401 | 54 | None | 1 | 10 | Human | 9.1 | pKd | None | 9.1 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| 12310764 | 1957 | 64 | Functional | -14 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 158 | 2 | 3 | 4 | -0.9 | OC(=O)C(c1o[nH]c(=O)c1)N | None | ||
| 1233 | 1957 | 64 | Functional | -14 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 158 | 2 | 3 | 4 | -0.9 | OC(=O)C(c1o[nH]c(=O)c1)N | None | ||
| 1371 | 1957 | 64 | Functional | -14 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 158 | 2 | 3 | 4 | -0.9 | OC(=O)C(c1o[nH]c(=O)c1)N | None | ||
| CHEMBL284895 | 1957 | 64 | Functional | -14 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 158 | 2 | 3 | 4 | -0.9 | OC(=O)C(c1o[nH]c(=O)c1)N | None | ||
| 1370 | 3239 | 67 | Functional | -1202 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | None | ||
| 1372 | 3239 | 67 | Functional | -1202 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | None | ||
| 40539 | 3239 | 67 | Functional | -1202 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | None | ||
| 6971145 | 3239 | 67 | Functional | -1202 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | None | ||
| CHEMBL279956 | 3239 | 67 | Functional | -1202 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | None | ||
| DB02999 | 3239 | 67 | Functional | -1202 | 8 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 189 | 3 | 3 | 6 | -2.5 | OC(=O)[C@H](Cn1oc(=O)[nH]c1=O)N | None | ||
| 139054390 | 204900 | 106 | Functional | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | None | ||
| 23327 | 204900 | 106 | Functional | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | None | ||
| CHEMBL76232 | 204900 | 106 | Functional | -1 | 5 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | N[C@H](CCC(=O)O)C(=O)O | None | ||
| 114827 | 216306 | 0 | 3H-LY341495 | -4 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | PDSP KiDatabase | 185 | 2 | 3 | 3 | -0.5 | C1CC(C2C1C2C(=O)O)(C(=O)O)N | None | ||
| None | 216308 | 0 | Functional | -3 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | PDSP KiDatabase | 203 | 4 | 4 | 4 | -1.6 | C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N | None | ||
| 210320 | 217705 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 304 | 9 | 5 | 5 | -1.6 | CC(=O)N[C@@H](CC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O | None | ||
| 1310 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 1369 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 33032 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 44272391 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 88747398 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| CHEMBL575060 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| DB00142 | 2303 | 110 | Functional | 1 | 18 | Human | 5.4 | pKi | = | 5.4 | Binding | PDSP KiDatabase | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 1310 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 1369 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 33032 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 44272391 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| 88747398 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| CHEMBL575060 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| DB00142 | 2303 | 110 | None | 1 | 18 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | None | ||
| None | 216146 | 0 | Functional | -1 | 7 | Human | 5.1 | pKi | = | 5.1 | Binding | PDSP KiDatabase | 173 | 2 | 3 | 3 | -0.3 | C1CC(CC1C(=O)O)(C(=O)O)N | None | ||
| 1405 | 2690 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 304 | 9 | 5 | 5 | -1.6 | OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O | 10884552 | ||
| 188803 | 2690 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 304 | 9 | 5 | 5 | -1.6 | OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O | 10884552 | ||
| CHEMBL1329032 | 2690 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | Guide to Pharmacology | 304 | 9 | 5 | 5 | -1.6 | OC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)C)CC(=O)O | 10884552 | ||
| 11310142 | 2406 | 19 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 26341392 | ||
| 11614 | 2406 | 19 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 26341392 | ||
| CHEMBL192051 | 2406 | 19 | None | -1 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | Guide to Pharmacology | 199 | 2 | 3 | 3 | -0.2 | C[C@@H]1C[C@@]([C@H]2[C@@H]1[C@@H]2C(=O)O)(N)C(=O)O | 26341392 | ||
| 1373 | 2458 | 51 | None | -6 | 5 | Human | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 209 | 3 | 3 | 3 | 0.6 | OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C | 10530814 | ||
| 139055582 | 2458 | 51 | None | -6 | 5 | Human | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 209 | 3 | 3 | 3 | 0.6 | OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C | 10530814 | ||
| 446355 | 2458 | 51 | None | -6 | 5 | Human | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 209 | 3 | 3 | 3 | 0.6 | OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C | 10530814 | ||
| CHEMBL257626 | 2458 | 51 | None | -6 | 5 | Human | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 209 | 3 | 3 | 3 | 0.6 | OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C | 10530814 | ||
| DB04256 | 2458 | 51 | None | -6 | 5 | Human | 3.8 | pKi | None | 3.8 | Binding | Guide to Pharmacology | 209 | 3 | 3 | 3 | 0.6 | OC(=O)c1ccc(cc1)[C@@](C(=O)O)(N)C | 10530814 | ||
| 104766 | 34 | 42 | None | -12 | 11 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10530814 | ||
| 1365 | 34 | 42 | None | -12 | 11 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10530814 | ||
| CHEMBL34453 | 34 | 42 | None | -12 | 11 | Human | 4.7 | pKi | None | 4.7 | Binding | Guide to Pharmacology | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10530814 | ||
| 104766 | 34 | 42 | None | -10 | 11 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10884552 | ||
| 1365 | 34 | 42 | None | -10 | 11 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10884552 | ||
| CHEMBL34453 | 34 | 42 | None | -10 | 11 | Rat | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 173 | 2 | 3 | 3 | -0.3 | OC(=O)[C@@H]1CC[C@@](C1)(N)C(=O)O | 10884552 | ||
| 10197984 | 2405 | 44 | None | -2 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10090786 | ||
| 1394 | 2405 | 44 | None | -2 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10090786 | ||
| CHEMBL275079 | 2405 | 44 | None | -2 | 5 | Human | 4.8 | pKi | None | 4.8 | Binding | Guide to Pharmacology | 187 | 2 | 3 | 4 | -1.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CO2)(N)C(=O)O | 10090786 | ||
| 1392 | 73 | 48 | None | 1 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10530814 | ||
| 5310984 | 73 | 48 | None | 1 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10530814 | ||
| CHEMBL40086 | 73 | 48 | None | 1 | 2 | Human | 5.3 | pKi | None | 5.3 | Binding | Guide to Pharmacology | 174 | 2 | 4 | 4 | -1.8 | OC(=O)[C@@H]1NC[C@@](C1)(N)C(=O)O | 10530814 | ||
| 1400 | 1526 | 0 | None | 7 | 2 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 175 | 5 | 3 | 3 | 0.0 | CC[C@@](C(=O)O)(CCC(=O)O)N | 10884552 | ||
| 5311079 | 1526 | 0 | None | 7 | 2 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 175 | 5 | 3 | 3 | 0.0 | CC[C@@](C(=O)O)(CCC(=O)O)N | 10884552 | ||
| CHEMBL1450466 | 1526 | 0 | None | 7 | 2 | Rat | 5.4 | pKi | None | 5.4 | Binding | Guide to Pharmacology | 175 | 5 | 3 | 3 | 0.0 | CC[C@@](C(=O)O)(CCC(=O)O)N | 10884552 | ||
| 1310 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| 1369 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| 33032 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| 44272391 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| 88747398 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| CHEMBL575060 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| DB00142 | 2303 | 110 | None | -1 | 18 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10884552 | ||
| 1368 | 2277 | 37 | None | -2 | 11 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10884552 | ||
| 5310956 | 2277 | 37 | None | -2 | 11 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10884552 | ||
| CHEMBL280563 | 2277 | 37 | None | -2 | 11 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10884552 | ||
| 1377 | 1328 | 26 | None | -2 | 6 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10884552 | ||
| 5310979 | 1328 | 26 | None | -2 | 6 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10884552 | ||
| CHEMBL284193 | 1328 | 26 | None | -2 | 6 | Rat | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10884552 | ||
| 1377 | 1328 | 26 | None | 1 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10530814 | ||
| 5310979 | 1328 | 26 | None | 1 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10530814 | ||
| CHEMBL284193 | 1328 | 26 | None | 1 | 6 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 203 | 4 | 4 | 4 | -1.6 | N[C@@H](C1[C@H]([C@@H]1C(=O)O)C(=O)O)C(=O)O | 10530814 | ||
| 1393 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10884552 | ||
| 1396 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10884552 | ||
| 213056 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10884552 | ||
| CHEMBL8759 | 1527 | 64 | None | -2 | 6 | Rat | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10884552 | ||
| 1368 | 2277 | 37 | None | -1 | 11 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10530814 | ||
| 5310956 | 2277 | 37 | None | -1 | 11 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10530814 | ||
| CHEMBL280563 | 2277 | 37 | None | -1 | 11 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 159 | 3 | 3 | 3 | -0.9 | N[C@@H]([C@H]1C[C@@H]1C(=O)O)C(=O)O | 10530814 | ||
| 1310 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| 1369 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| 33032 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| 44272391 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| 88747398 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| CHEMBL575060 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| DB00142 | 2303 | 110 | None | 1 | 18 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | 147 | 4 | 3 | 3 | -0.7 | OC(=O)CC[C@@H](C(=O)O)N | 10530814 | ||
| 1378 | 2401 | 54 | None | -5 | 10 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| 1399 | 2401 | 54 | None | -5 | 10 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| 9819927 | 2401 | 54 | None | -5 | 10 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| CHEMBL432038 | 2401 | 54 | None | -5 | 10 | Rat | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10884552 | ||
| 1397 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 14975669 | ||
| 1397 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 15317467 | ||
| 9886034 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 14975669 | ||
| 9886034 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 15317467 | ||
| CHEMBL186453 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 14975669 | ||
| CHEMBL186453 | 2512 | 15 | None | -2 | 5 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | 377 | 5 | 3 | 4 | 2.1 | OC(=O)[C@]1(N)[C@H](OCc2ccc(c(c2)Cl)Cl)C[C@@H]2[C@H]1[C@@]2(F)C(=O)O | 15317467 | ||
| 1393 | 1527 | 64 | None | -1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10530814 | ||
| 1396 | 1527 | 64 | None | -1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10530814 | ||
| 213056 | 1527 | 64 | None | -1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10530814 | ||
| CHEMBL8759 | 1527 | 64 | None | -1 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 185 | 2 | 3 | 3 | -0.5 | OC(=O)[C@H]1[C@H]2[C@@H]1[C@](CC2)(N)C(=O)O | 10530814 | ||
| 1378 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| 1399 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| 9819927 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||
| CHEMBL432038 | 2401 | 54 | None | 1 | 10 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 353 | 5 | 3 | 4 | 2.8 | OC(=O)[C@H]1C[C@@H]1[C@](C(=O)O)(CC1c2ccccc2Oc2c1cccc2)N | 10530814 | ||