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 |
| 155491018 | 180862 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 7865 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 180862 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | -2 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 7865 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | 1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 180862 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | -2 | 2 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 180862 | 1 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | -2 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 44453327 | 101870 | 25 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL255408 | 101870 | 25 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 10585 | 7865 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 7865 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | 1 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 180862 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 180862 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | -2 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 69212799 | 84751 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL2096789 | 84751 | 3 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 508750 | 175314 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL435499 | 175314 | 1 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| 10585 | 7865 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 7865 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | 1 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 44395055 | 71278 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL181432 | 71278 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 73351183 | 100009 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL2448120 | 100009 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 70697571 | 84750 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL2096788 | 84750 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 11735999 | 196129 | 0 | None | - | 1 | Human | 10.4 | pED50 | = | 10.4 | Functional | ChEMBL | 212 | 1 | 2 | 2 | 0.8 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL512607 | 196129 | 0 | None | - | 1 | Human | 10.4 | pED50 | = | 10.4 | Functional | ChEMBL | 212 | 1 | 2 | 2 | 0.8 | CC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11322108 | 185346 | 0 | None | - | 1 | Human | 10.2 | pED50 | = | 10.2 | Functional | ChEMBL | 226 | 3 | 2 | 2 | 1.2 | CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL467070 | 185346 | 0 | None | - | 1 | Human | 10.2 | pED50 | = | 10.2 | Functional | ChEMBL | 226 | 3 | 2 | 2 | 1.2 | CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11254190 | 196131 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 268 | 5 | 2 | 2 | 2.2 | CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL512615 | 196131 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 268 | 5 | 2 | 2 | 2.2 | CC(C)CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11651747 | 180548 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 1.7 | CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 | 10.1021/jm900133w | ||
| CHEMBL453720 | 180548 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 252 | 2 | 2 | 2 | 1.7 | CC1(C(=O)N[C@H]2CCCCNC2=O)CCCCC1 | 10.1021/jm900133w | ||
| 11659300 | 185543 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
| CHEMBL468733 | 185543 | 0 | None | - | 0 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
| 11151928 | 196266 | 0 | None | 1 | 4 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL513863 | 196266 | 0 | None | 1 | 4 | Human | 10.1 | pED50 | = | 10.1 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11173161 | 195586 | 0 | None | - | 1 | Human | 9.7 | pED50 | = | 9.7 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.2 | CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL506023 | 195586 | 0 | None | - | 1 | Human | 9.7 | pED50 | = | 9.7 | Functional | ChEMBL | 266 | 4 | 2 | 2 | 2.2 | CC(C)=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 44157844 | 196068 | 0 | None | - | 1 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
| CHEMBL512094 | 196068 | 0 | None | - | 1 | Human | 9.4 | pED50 | = | 9.4 | Functional | ChEMBL | 290 | 2 | 2 | 2 | 2.0 | O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2 | 10.1021/jm900133w | ||
| 11218678 | 177132 | 0 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 240 | 4 | 2 | 2 | 1.6 | CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL444736 | 177132 | 0 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 240 | 4 | 2 | 2 | 1.6 | CCCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11543222 | 200286 | 3 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 238 | 2 | 2 | 2 | 1.4 | O=C(N[C@H]1CCCCNC1=O)C1CCCCC1 | 10.1021/jm900133w | ||
| CHEMBL526704 | 200286 | 3 | None | - | 1 | Human | 9.3 | pED50 | = | 9.3 | Functional | ChEMBL | 238 | 2 | 2 | 2 | 1.4 | O=C(N[C@H]1CCCCNC1=O)C1CCCCC1 | 10.1021/jm900133w | ||
| 11536008 | 185373 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 236 | 2 | 2 | 2 | 1.3 | O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1 | 10.1021/jm900133w | ||
| CHEMBL467276 | 185373 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 236 | 2 | 2 | 2 | 1.3 | O=C(N[C@H]1CCCCNC1=O)C1=CCCCC1 | 10.1021/jm900133w | ||
| 11551248 | 185439 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 304 | 3 | 2 | 2 | 2.4 | O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL467685 | 185439 | 0 | None | - | 0 | Human | 9.1 | pED50 | = | 9.1 | Functional | ChEMBL | 304 | 3 | 2 | 2 | 2.4 | O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11390777 | 179395 | 0 | None | - | 0 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 238 | 4 | 2 | 2 | 1.4 | C=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL449215 | 179395 | 0 | None | - | 0 | Human | 9.0 | pED50 | = | 9 | Functional | ChEMBL | 238 | 4 | 2 | 2 | 1.4 | C=CCC(C)(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11198073 | 185258 | 0 | None | - | 1 | Human | 8.0 | pED50 | = | 8 | Functional | ChEMBL | 322 | 10 | 2 | 2 | 3.9 | CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL466434 | 185258 | 0 | None | - | 1 | Human | 8.0 | pED50 | = | 8 | Functional | ChEMBL | 322 | 10 | 2 | 2 | 3.9 | CCCCCCCCC/C=C(\C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11370332 | 70070 | 0 | None | - | 1 | Human | 7.8 | pED50 | = | 7.8 | Functional | ChEMBL | 310 | 11 | 2 | 2 | 3.7 | CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL179312 | 70070 | 0 | None | - | 1 | Human | 7.8 | pED50 | = | 7.8 | Functional | ChEMBL | 310 | 11 | 2 | 2 | 3.7 | CCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 44157843 | 185256 | 0 | None | - | 1 | Human | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL466432 | 185256 | 0 | None | - | 1 | Human | 6.7 | pED50 | = | 6.7 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 44157843 | 185256 | 0 | None | - | 1 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL466432 | 185256 | 0 | None | - | 1 | Human | 8.5 | pED50 | = | 8.5 | Functional | ChEMBL | 324 | 11 | 2 | 2 | 3.9 | CCCCCCCCCCC(C)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11151929 | 185542 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCC(C)(C)CC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL468732 | 185542 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCC(C)(C)CC(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11359715 | 185541 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL468720 | 185541 | 0 | None | - | 0 | Human | 8.4 | pED50 | = | 8.4 | Functional | ChEMBL | 338 | 11 | 2 | 2 | 4.3 | CCCCCCCCCCC(C)(C)C(=O)N[C@@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 11544064 | 185257 | 0 | None | - | 1 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 308 | 6 | 2 | 2 | 3.2 | CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1 | 10.1021/jm900133w | ||
| CHEMBL466433 | 185257 | 0 | None | - | 1 | Human | 8.3 | pED50 | = | 8.3 | Functional | ChEMBL | 308 | 6 | 2 | 2 | 3.2 | CCCCCC1CCC(C(=O)N[C@H]2CCCCNC2=O)CC1 | 10.1021/jm900133w | ||
| 11609693 | 195991 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 334 | 6 | 2 | 2 | 3.7 | CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 | 10.1021/jm900133w | ||
| CHEMBL511426 | 195991 | 0 | None | - | 0 | Human | 8.2 | pED50 | = | 8.2 | Functional | ChEMBL | 334 | 6 | 2 | 2 | 3.7 | CCCCCC12CCC(C(=O)N[C@H]3CCCCNC3=O)(CC1)CC2 | 10.1021/jm900133w | ||
| 11437477 | 195403 | 0 | None | - | 1 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 1.3 | CC(CCl)(CCl)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| CHEMBL502976 | 195403 | 0 | None | - | 1 | Human | 8.1 | pED50 | = | 8.1 | Functional | ChEMBL | 280 | 4 | 2 | 2 | 1.3 | CC(CCl)(CCl)C(=O)N[C@H]1CCCCNC1=O | 10.1021/jm900133w | ||
| 44593562 | 194274 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 1 | Human | 10.0 | pIC50 | = | 10 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 86642531 | 145081 | 0 | None | 10 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770912 | 145081 | 0 | None | 10 | 2 | Human | 9.9 | pIC50 | = | 9.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| 44425645 | 92857 | 0 | None | 7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230933 | 92857 | 0 | None | 7 | 2 | Human | 9.8 | pIC50 | = | 9.8 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 10240064 | 195207 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502247 | 195207 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44593562 | 194274 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 1 | Human | 9.7 | pIC50 | = | 9.7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44425652 | 175547 | 0 | None | 12 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL437359 | 175547 | 0 | None | 12 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 10289827 | 194755 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL497202 | 194755 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44593563 | 199889 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL522688 | 199889 | 0 | None | - | 1 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44425647 | 92876 | 0 | None | 5 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231039 | 92876 | 0 | None | 5 | 2 | Human | 9.5 | pIC50 | = | 9.5 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425292 | 92743 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230281 | 92743 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425292 | 92743 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230281 | 92743 | 0 | None | - | 1 | Human | 9.4 | pIC50 | = | 9.4 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 10240064 | 195207 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502247 | 195207 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 46865775 | 14886 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1091605 | 14886 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 24801689 | 104570 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
| CHEMBL271828 | 104570 | 0 | None | - | 1 | Human | 9.3 | pIC50 | = | 9.3 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
| 44425255 | 175663 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL438304 | 175663 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425652 | 175547 | 0 | None | 12 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL437359 | 175547 | 0 | None | 12 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 59370257 | 144942 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 428 | 2 | 2 | 6 | 1.9 | Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
| CHEMBL3769444 | 144942 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 428 | 2 | 2 | 6 | 1.9 | Cc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
| 10129192 | 195238 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502793 | 195238 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| 11598 | 7460 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 23725177 | 7460 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4442783 | 7460 | 9 | None | 812 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 44425254 | 149038 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388487 | 149038 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 16216716 | 160308 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397996 | 160308 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425645 | 92857 | 0 | None | 7 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230933 | 92857 | 0 | None | 7 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 11597 | 7461 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 23725180 | 7461 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4781426 | 7461 | 5 | None | 11 | 2 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 51039119 | 182996 | 33 | None | -1 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 182996 | 33 | None | -1 | 3 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 44593564 | 194011 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492564 | 194011 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 25022597 | 102114 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL256629 | 102114 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453440 | 104464 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271288 | 104464 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 183790 | 10514 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| 783 | 10514 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL1178786 | 10514 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| 183790 | 10514 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 783 | 10514 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL1178786 | 10514 | 11 | None | -1 | 5 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 24801690 | 104817 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL273083 | 104817 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 57402219 | 77783 | 0 | None | 52 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| CHEMBL1951766 | 77783 | 0 | None | 52 | 2 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| 24801690 | 104817 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| CHEMBL273083 | 104817 | 25 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| 44593564 | 194011 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492564 | 194011 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44573649 | 194014 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492569 | 194014 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44593562 | 194274 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 10175425 | 200312 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL526752 | 200312 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 127025088 | 145041 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 3 | 2 | 6 | 1.8 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770530 | 145041 | 0 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 420 | 3 | 2 | 6 | 1.8 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C4CC4)cs3)CC2)C1 | 10.1039/C5MD00362H | ||
| 127025086 | 144961 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 442 | 4 | 2 | 6 | 2.3 | CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
| CHEMBL3769610 | 144961 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 442 | 4 | 2 | 6 | 2.3 | CC(C)c1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
| 46865774 | 14885 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1091604 | 14885 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 86642531 | 145081 | 0 | None | -10 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770912 | 145081 | 0 | None | -10 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 482 | 2 | 2 | 6 | 2.6 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(F)(F)F)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| 10007642 | 25881 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289203 | 25881 | 0 | None | 2 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 10218403 | 194689 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL496630 | 194689 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| 46886055 | 14816 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1090893 | 14816 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 127025093 | 144992 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 428 | 4 | 2 | 6 | 1.7 | CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
| CHEMBL3769984 | 144992 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 428 | 4 | 2 | 6 | 1.7 | CCc1nc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)C)CCN3)CC2)sc1Cl | 10.1039/C5MD00362H | ||
| 46830335 | 14987 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092238 | 14987 | 8 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 11365166 | 81319 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029423 | 81319 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 52941377 | 26101 | 0 | None | 7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290637 | 26101 | 0 | None | 7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 16216716 | 160308 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL397996 | 160308 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425292 | 92743 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230281 | 92743 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 16216716 | 160308 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL397996 | 160308 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11353855 | 81324 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029568 | 81324 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 44425652 | 175547 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL437359 | 175547 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425652 | 175547 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL437359 | 175547 | 0 | None | 12 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 57335017 | 77113 | 0 | None | 1380 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944776 | 77113 | 0 | None | 1380 | 2 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 70691785 | 80502 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018391 | 80502 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 46830336 | 14622 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089793 | 14622 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 54754967 | 84605 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL2092884 | 84605 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 10239991 | 195226 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502516 | 195226 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 57391766 | 77792 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951776 | 77792 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
| 10187492 | 154568 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL393267 | 154568 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 25256791 | 194470 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL495202 | 194470 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 11502371 | 159907 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL397647 | 159907 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 11502371 | 159907 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL397647 | 159907 | 3 | None | 22 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 10154434 | 65563 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 5 | 3.2 | CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)OCO3)c1 | 10.1021/jm1012903 | ||
| CHEMBL1687955 | 65563 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 5 | 3.2 | CC(C)Oc1cccc(NC(=O)NC(=O)c2ccc3c(c2)OCO3)c1 | 10.1021/jm1012903 | ||
| 44413167 | 86494 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211560 | 86494 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 9967878 | 91854 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 3 | 3.9 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1F | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224510 | 91854 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 342 | 4 | 2 | 3 | 3.9 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1F | 10.1016/j.bmc.2006.09.052 | ||
| 44421867 | 91932 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL225166 | 91932 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1cc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cs1 | 10.1016/j.bmc.2006.09.052 | ||
| 44421889 | 91994 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL225582 | 91994 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCCC(Oc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098519 | 92005 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 336 | 5 | 2 | 4 | 3.6 | COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL225637 | 92005 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 336 | 5 | 2 | 4 | 3.6 | COc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098523 | 149067 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 320 | 4 | 2 | 3 | 3.9 | Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL388516 | 149067 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 320 | 4 | 2 | 3 | 3.9 | Cc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 44421913 | 168663 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 334 | 4 | 2 | 3 | 3.4 | O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL415061 | 168663 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 334 | 4 | 2 | 3 | 3.4 | O=C(Nc1ccc2[nH]ncc2c1)C1CCCN(Cc2ccccc2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098488 | 173046 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL426925 | 173046 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098490 | 173104 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL427245 | 173104 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 44421917 | 173106 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL427254 | 173106 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| 9840006 | 148804 | 5 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL387625 | 148804 | 5 | None | - | 1 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| 9956238 | 66972 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688889 | 66972 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1739922 | 66972 | 1 | None | -79 | 4 | Rat | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| 44453002 | 162152 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CCNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL403424 | 162152 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CCNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44421860 | 91823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 295 | 4 | 3 | 3 | 3.0 | c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224166 | 91823 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 295 | 4 | 3 | 3 | 3.0 | c1c[nH]c(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 9900683 | 148690 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 292 | 4 | 2 | 3 | 3.2 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL386937 | 148690 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 292 | 4 | 2 | 3 | 3.2 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 10065796 | 148845 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL387954 | 148845 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5 | Functional | ChEMBL | 339 | 4 | 1 | 3 | 4.2 | Fc1cccc(F)c1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
| 54585109 | 69347 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782579 | 69347 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44453234 | 104247 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270182 | 104247 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 22143196 | 190766 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL481790 | 190766 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 22143196 | 190766 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481790 | 190766 | 0 | None | -3 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44416138 | 145652 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL378195 | 145652 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 46927117 | 72202 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829619 | 72202 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44453405 | 102211 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257062 | 102211 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
| 44453407 | 102212 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257063 | 102212 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 56675205 | 72569 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834788 | 72569 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56671793 | 72570 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834789 | 72570 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 56671795 | 72573 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834792 | 72573 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 46884856 | 15116 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092921 | 15116 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44583280 | 179228 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL447937 | 179228 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 46885159 | 15147 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093153 | 15147 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| 46885160 | 15148 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093154 | 15148 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 9974356 | 144369 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL375556 | 144369 | 4 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| 57396726 | 75730 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 4.0 | CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922817 | 75730 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 562 | 8 | 3 | 5 | 4.0 | CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44439163 | 97069 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238518 | 97069 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 183790 | 10514 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
| 783 | 10514 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL1178786 | 10514 | 11 | None | -1 | 5 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2018.05.027 | ||
| 11283842 | 80513 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018402 | 80513 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11353855 | 81324 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029568 | 81324 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 56643545 | 75735 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922823 | 75735 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 52943756 | 26062 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290412 | 26062 | 0 | None | 23 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| 44453368 | 104543 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271725 | 104543 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| 56683116 | 72580 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834799 | 72580 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| 46884898 | 14489 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1088874 | 14489 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44453409 | 102214 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257065 | 102214 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 22143146 | 190685 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481202 | 190685 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 10218843 | 179565 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL451340 | 179565 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44425641 | 92841 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230832 | 92841 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 10007642 | 25881 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289203 | 25881 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 46885028 | 15194 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093470 | 15194 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| 24801523 | 104631 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL272168 | 104631 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 57656833 | 82004 | 0 | None | -257 | 4 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 82004 | 0 | None | -257 | 4 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 122181148 | 128614 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 478 | 6 | 1 | 3 | 5.2 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589843 | 128614 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 478 | 6 | 1 | 3 | 5.2 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 9956238 | 66972 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688889 | 66972 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1739922 | 66972 | 1 | None | -95 | 4 | Mouse | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| 508742 | 102351 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257702 | 102351 | 1 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 145963552 | 168127 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 4.1 | CC(=O)N1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4125866 | 168127 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 489 | 6 | 1 | 5 | 4.1 | CC(=O)N1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 122181146 | 128612 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589841 | 128612 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 44447435 | 101471 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252815 | 101471 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447435 | 101471 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252815 | 101471 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 145962429 | 168348 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.4 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCCCC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128975 | 168348 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 446 | 6 | 1 | 4 | 5.4 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCCCC1 | 10.1016/j.bmc.2018.05.027 | ||
| 44453538 | 104706 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272543 | 104706 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 46240482 | 90352 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204259 | 90352 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
| 22143294 | 200205 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL526091 | 200205 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44580590 | 200350 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL526859 | 200350 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 70683350 | 80501 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018390 | 80501 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44425641 | 92841 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230832 | 92841 | 0 | None | 5 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425288 | 92790 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230507 | 92790 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425304 | 150145 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL389773 | 150145 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 69035677 | 84424 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088389 | 84424 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 44425288 | 92790 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230507 | 92790 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425304 | 150145 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL389773 | 150145 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44571218 | 190657 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481009 | 190657 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 57344310 | 75711 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922794 | 75711 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57343820 | 75729 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922816 | 75729 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 24801525 | 104385 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL270906 | 104385 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 49763686 | 72198 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829615 | 72198 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 57396724 | 75722 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.1 | NC(=O)C(NC1CCC(c2ccccc2)C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922805 | 75722 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 485 | 7 | 2 | 3 | 4.1 | NC(=O)C(NC1CCC(c2ccccc2)C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57396725 | 75724 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C2CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922808 | 75724 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 498 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)C2CC2c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44563039 | 198824 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 482 | 5 | 1 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL520228 | 198824 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 482 | 5 | 1 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 11179439 | 80511 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018400 | 80511 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 46947816 | 72207 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829624 | 72207 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44563113 | 181362 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 515 | 5 | 3 | 4 | 5.4 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL455682 | 181362 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 515 | 5 | 3 | 4 | 5.4 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 508877 | 101836 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL255209 | 101836 | 1 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 54756045 | 72562 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834781 | 72562 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56678507 | 72574 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834793 | 72574 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44447429 | 101418 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252412 | 101418 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 50925394 | 26100 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290636 | 26100 | 0 | None | -2 | 2 | Mouse | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 44447429 | 101418 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252412 | 101418 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425286 | 160026 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL397750 | 160026 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425286 | 160026 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL397750 | 160026 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57344299 | 75731 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922818 | 75731 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 56669631 | 72583 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834851 | 72583 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
| 132572938 | 163568 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL4070869 | 163568 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
| 44439158 | 153605 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL392493 | 153605 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
| 10272003 | 65653 | 1 | None | -2 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688888 | 65653 | 1 | None | -2 | 3 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| 57403700 | 75720 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.0 | NC(=O)C(NC1Cc2ccccc2C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922803 | 75720 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.0 | NC(=O)C(NC1Cc2ccccc2C1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 10427217 | 91772 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL223815 | 91772 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| 10041590 | 148889 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL388285 | 148889 | 4 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
| 54584164 | 69342 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782574 | 69342 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44595711 | 144099 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752627 | 144099 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 49763568 | 72189 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829605 | 72189 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 11752457 | 81314 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
| CHEMBL2029417 | 81314 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
| 54755081 | 72551 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834719 | 72551 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56671794 | 72571 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834790 | 72571 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425634 | 148796 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL387587 | 148796 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44442599 | 100424 | 0 | None | 31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246804 | 100424 | 0 | None | 31 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 10291634 | 65651 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 | 10.1021/jm1012903 | ||
| CHEMBL1688879 | 65651 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1 | 10.1021/jm1012903 | ||
| 10154979 | 65652 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.4 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm1012903 | ||
| CHEMBL1688880 | 65652 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 352 | 2 | 2 | 4 | 3.4 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C(F)(F)F)c1 | 10.1021/jm1012903 | ||
| 10064487 | 91792 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL223907 | 91792 | 4 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| 11585168 | 97463 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239143 | 97463 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 57402219 | 77783 | 0 | None | -52 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| CHEMBL1951766 | 77783 | 0 | None | -52 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| 145961260 | 168210 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 476 | 7 | 1 | 5 | 5.0 | COC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4127096 | 168210 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 476 | 7 | 1 | 5 | 5.0 | COC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 52941377 | 26101 | 0 | None | -7 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290637 | 26101 | 0 | None | -7 | 2 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 57394970 | 75718 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 4.0 | CC(C)C1CCC(NC(C(N)=O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922800 | 75718 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 465 | 7 | 2 | 3 | 4.0 | CC(C)C1CCC(NC(C(N)=O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44583282 | 179474 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL450231 | 179474 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 53389660 | 178262 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4463626 | 178262 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389845 | 179740 | 0 | None | 45 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4517518 | 179740 | 0 | None | 45 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 57344303 | 75706 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922789 | 75706 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
| 44425634 | 148796 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL387587 | 148796 | 0 | None | 2 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11192346 | 8805 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | -4 | 3 | Mouse | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 44583281 | 195014 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL499467 | 195014 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 49763575 | 72219 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829637 | 72219 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| 24801522 | 167916 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
| CHEMBL411726 | 167916 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
| 46884855 | 15075 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092656 | 15075 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 122181235 | 128628 | 0 | None | 5 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589949 | 128628 | 0 | None | 5 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 9923015 | 65650 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 318 | 2 | 2 | 4 | 3.0 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | 10.1021/jm1012903 | ||
| CHEMBL1688878 | 65650 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 318 | 2 | 2 | 4 | 3.0 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | 10.1021/jm1012903 | ||
| 11582651 | 81978 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036754 | 81978 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 145961759 | 168309 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 6 | 1 | 5 | 7.1 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(CC1)SCc1ccccc12 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128487 | 168309 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 566 | 6 | 1 | 5 | 7.1 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(CC1)SCc1ccccc12 | 10.1016/j.bmc.2018.05.027 | ||
| 57656921 | 81988 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036764 | 81988 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 122181152 | 128484 | 0 | None | 25 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3588870 | 128484 | 0 | None | 25 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 46241610 | 90345 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204252 | 90345 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 122181238 | 128631 | 0 | None | 194 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589952 | 128631 | 0 | None | 194 | 2 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 10304021 | 80495 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018384 | 80495 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 11504634 | 192815 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.6 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL487070 | 192815 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 4.6 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 56678508 | 72575 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834794 | 72575 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44570718 | 190612 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480621 | 190612 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44580590 | 200350 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL526859 | 200350 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 46944853 | 72204 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829621 | 72204 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
| 49763574 | 72218 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829636 | 72218 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54755083 | 72518 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834636 | 72518 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 46885029 | 15021 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092343 | 15021 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| 10315045 | 150353 | 5 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL389926 | 150353 | 5 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 337 | 4 | 1 | 3 | 4.6 | Clc1ccccc1CN1CCC(Nc2cccc3cnccc23)C1 | 10.1016/j.bmc.2006.10.028 | ||
| 122181153 | 128618 | 0 | None | 20 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589847 | 128618 | 0 | None | 20 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| 44416274 | 165333 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL409162 | 165333 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 10346048 | 85009 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL210606 | 85009 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 145962546 | 168189 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 3.8 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4126779 | 168189 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 537 | 8 | 1 | 6 | 3.8 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 11553070 | 81975 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036751 | 81975 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10346048 | 85009 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL210606 | 85009 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11563451 | 158697 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL396621 | 158697 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 24801690 | 104817 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL273083 | 104817 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 70689914 | 81327 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
| CHEMBL2029571 | 81327 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
| 24801690 | 104817 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| CHEMBL273083 | 104817 | 25 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| 44453366 | 165083 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL408908 | 165083 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 46885027 | 15193 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093469 | 15193 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 53322810 | 65246 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683075 | 65246 | 0 | None | 2 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54585107 | 69335 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782567 | 69335 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54580188 | 69341 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782573 | 69341 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 53325639 | 65244 | 0 | None | 1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683073 | 65244 | 0 | None | 1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 122181147 | 128613 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 464 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589842 | 128613 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 464 | 6 | 1 | 3 | 4.8 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
| 11670910 | 95397 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL235657 | 95397 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 145961961 | 168275 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.0 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(C(F)(F)F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128015 | 168275 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.0 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(C(F)(F)F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 57656640 | 81986 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036762 | 81986 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
| 44439155 | 98749 | 0 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241497 | 98749 | 0 | None | -3 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 46885269 | 14675 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1090148 | 14675 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CCN(C(=O)c2ccccc2)CC1)N1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 56643545 | 75735 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922823 | 75735 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57398494 | 75733 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 527 | 8 | 3 | 4 | 4.7 | CN(C)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922820 | 75733 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 527 | 8 | 3 | 4 | 4.7 | CN(C)c1ccc(/C=C/C(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | 10.1016/j.bmcl.2011.09.113 | ||
| 22143104 | 194837 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497780 | 194837 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 22143294 | 200205 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL526091 | 200205 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44571257 | 197873 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL518772 | 197873 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 11192346 | 8805 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | 1 | 3 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 56661444 | 72549 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834717 | 72549 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425637 | 92762 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230405 | 92762 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425637 | 92762 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230405 | 92762 | 0 | None | 3 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425629 | 92801 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230616 | 92801 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44442593 | 153978 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL392814 | 153978 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57344218 | 75723 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922806 | 75723 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44563038 | 192818 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 554 | 7 | 1 | 5 | 5.0 | CCOC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL487074 | 192818 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 554 | 7 | 1 | 5 | 5.0 | CCOC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 21098512 | 91864 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224594 | 91864 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098530 | 150337 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL389915 | 150337 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 351 | 5 | 2 | 5 | 3.5 | O=[N+]([O-])c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 44447426 | 101384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252208 | 101384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 145961667 | 168133 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 4.2 | CN1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4126007 | 168133 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 6 | 1 | 5 | 4.2 | CN1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 44447426 | 101384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252208 | 101384 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CCC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 145963369 | 168165 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 6.8 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC(c2ccccc2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4126360 | 168165 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 522 | 7 | 1 | 4 | 6.8 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC(c2ccccc2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 11548199 | 96697 | 0 | None | 707 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237967 | 96697 | 0 | None | 707 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 22143255 | 194637 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496343 | 194637 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 22143155 | 194841 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497788 | 194841 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44593555 | 195563 | 0 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL505722 | 195563 | 0 | None | 2 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44570714 | 196573 | 0 | None | 9 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL516224 | 196573 | 0 | None | 9 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 9850318 | 102020 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL256154 | 102020 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 10392978 | 174238 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL429849 | 174238 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 54754968 | 72516 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834634 | 72516 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425647 | 92876 | 0 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231039 | 92876 | 0 | None | 5 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44423283 | 92082 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| CHEMBL226065 | 92082 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| 44583283 | 195065 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL500175 | 195065 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 127026243 | 145047 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 456 | 3 | 2 | 6 | 2.5 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770591 | 145047 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 456 | 3 | 2 | 6 | 2.5 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| 53321616 | 65234 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683063 | 65234 | 0 | None | 5 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 11433008 | 84412 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088378 | 84412 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 10289827 | 194755 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL497202 | 194755 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 25110716 | 161985 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
| CHEMBL402532 | 161985 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
| 53318853 | 65230 | 0 | None | 27 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683059 | 65230 | 0 | None | 27 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 11597 | 7461 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 23725180 | 7461 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4781426 | 7461 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00373 | ||
| 11387511 | 81316 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029419 | 81316 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 44453441 | 104465 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271289 | 104465 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 46885213 | 15232 | 0 | None | 52 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093802 | 15232 | 0 | None | 52 | 3 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 57391767 | 77794 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| CHEMBL1951779 | 77794 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| 127029034 | 144993 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 440 | 3 | 2 | 6 | 1.9 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770008 | 144993 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 440 | 3 | 2 | 6 | 1.9 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3nc(C(C)(C)C)c(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| 11192346 | 8805 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | -1 | 3 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 10300284 | 80507 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018396 | 80507 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 57396998 | 77789 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951773 | 77789 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
| 54755919 | 72533 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834651 | 72533 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54755801 | 72534 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834652 | 72534 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56659295 | 72584 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834852 | 72584 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425629 | 92801 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230616 | 92801 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 9956238 | 66972 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688889 | 66972 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1739922 | 66972 | 1 | None | 3 | 4 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| 57656833 | 82004 | 0 | None | -42 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 82004 | 0 | None | -42 | 4 | Rat | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44421923 | 91857 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224535 | 91857 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 9857714 | 91906 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224885 | 91906 | 2 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 44421855 | 91889 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 307 | 4 | 2 | 4 | 3.0 | c1cncc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224746 | 91889 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 307 | 4 | 2 | 4 | 3.0 | c1cncc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 11723420 | 143329 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL373759 | 143329 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CCC(Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| 57656887 | 81987 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036763 | 81987 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44447427 | 161626 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL400516 | 161626 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447427 | 161626 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL400516 | 161626 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)C(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11570431 | 98757 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241502 | 98757 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 22143346 | 179430 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL449672 | 179430 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 10175423 | 195225 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502515 | 195225 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 10312346 | 195241 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502795 | 195241 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 10152864 | 194653 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL496432 | 194653 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 49763931 | 72200 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829617 | 72200 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44453330 | 102277 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257316 | 102277 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453300 | 104211 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270005 | 104211 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44416274 | 165333 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL409162 | 165333 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 24801523 | 104631 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL272168 | 104631 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 10458152 | 84576 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL209267 | 84576 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 10458152 | 84576 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL209267 | 84576 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 49764446 | 72214 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829631 | 72214 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44453474 | 104647 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272284 | 104647 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 56659196 | 72577 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834796 | 72577 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 22143258 | 190658 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481010 | 190658 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 57656942 | 81814 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2035000 | 81814 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57403699 | 75712 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cnccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922795 | 75712 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cnccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44453004 | 102039 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL256256 | 102039 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | CC(NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10471319 | 91578 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 4.1 | Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL223336 | 91578 | 5 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 321 | 4 | 1 | 3 | 4.1 | Fc1ccc(CN2CCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| 44439169 | 97549 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239170 | 97549 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44447446 | 161658 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL400724 | 161658 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447424 | 101383 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252206 | 101383 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447446 | 161658 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL400724 | 161658 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11306757 | 80512 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018401 | 80512 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11489078 | 80580 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018530 | 80580 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44570781 | 199344 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL521275 | 199344 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 46830335 | 14987 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092238 | 14987 | 8 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 46842383 | 15117 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092929 | 15117 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 70689915 | 81328 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
| CHEMBL2029572 | 81328 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
| 44453472 | 162317 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404259 | 162317 | 1 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 54586021 | 69317 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782375 | 69317 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 57396723 | 75721 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.5 | NC(=O)C(NC1CCc2ccccc21)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922804 | 75721 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 457 | 6 | 2 | 3 | 3.5 | NC(=O)C(NC1CCc2ccccc21)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 10360623 | 91981 | 5 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 351 | 4 | 1 | 3 | 5.0 | Clc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL225492 | 91981 | 5 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 351 | 4 | 1 | 3 | 5.0 | Clc1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1 | 10.1016/j.bmc.2006.10.028 | ||
| 44447424 | 101383 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252206 | 101383 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | CC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44583280 | 179228 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL447937 | 179228 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 10281316 | 80497 | 0 | None | -2 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018386 | 80497 | 0 | None | -2 | 3 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| 44453327 | 101870 | 25 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL255408 | 101870 | 25 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10162782 | 80481 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018370 | 80481 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44442590 | 100547 | 0 | None | 169 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247455 | 100547 | 0 | None | 169 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 49763804 | 72199 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829616 | 72199 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 11510932 | 81977 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036753 | 81977 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 145962732 | 168136 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Oc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4126032 | 168136 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 554 | 8 | 0 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Oc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 44580591 | 194638 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496344 | 194638 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 49763682 | 72195 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829612 | 72195 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44447432 | 161627 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL400517 | 161627 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447432 | 161627 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL400517 | 161627 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 50991056 | 69340 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782572 | 69340 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 57394966 | 75702 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 495 | 6 | 2 | 2 | 6.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CNC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922785 | 75702 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 495 | 6 | 2 | 2 | 6.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CNC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 145953092 | 168117 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4125768 | 168117 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3cnc(Nc4ccc(Cl)c(Cl)c4)cc3C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 22143309 | 194720 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496959 | 194720 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 10111333 | 182246 | 0 | None | 19 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 182246 | 0 | None | 19 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10142792 | 100516 | 0 | None | 26 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247245 | 100516 | 0 | None | 26 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57656869 | 81996 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036774 | 81996 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 52943756 | 26062 | 0 | None | -23 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290412 | 26062 | 0 | None | -23 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| 49764196 | 72216 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829633 | 72216 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44570717 | 190611 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480620 | 190611 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 56676474 | 72586 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834854 | 72586 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 183790 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
| 783 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL1178786 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/s0960-894x(00)00347-4 | ||
| 44425309 | 149135 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388867 | 149135 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 183790 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
| 783 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
| CHEMBL1178786 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm010468s | ||
| 183790 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -1 | 5 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 22143334 | 194587 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL495924 | 194587 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 57344297 | 75728 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922815 | 75728 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 11711078 | 81995 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036773 | 81995 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46240584 | 90355 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204262 | 90355 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
| 46944854 | 72203 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829620 | 72203 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54756156 | 72559 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834779 | 72559 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44447431 | 101446 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252611 | 101446 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425642 | 149124 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL388675 | 149124 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447431 | 101446 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252611 | 101446 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425642 | 149124 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL388675 | 149124 | 0 | None | 12 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11678573 | 97414 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238936 | 97414 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 57656713 | 81980 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036756 | 81980 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44447433 | 101469 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252813 | 101469 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447433 | 101469 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252813 | 101469 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 22143293 | 194806 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497577 | 194806 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44447434 | 101470 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252814 | 101470 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44453535 | 161953 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL402322 | 161953 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44447434 | 101470 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL252814 | 101470 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 155521447 | 177363 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 177363 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 11227168 | 81325 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029569 | 81325 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 46884818 | 14643 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089881 | 14643 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 145963669 | 168338 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cc(Cl)cc(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128832 | 168338 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cc(Cl)cc(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 44416157 | 87370 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215020 | 87370 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 22143309 | 194720 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496959 | 194720 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 22143112 | 195224 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL502513 | 195224 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 57395219 | 77786 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951770 | 77786 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
| 11756884 | 25861 | 0 | None | 25 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289083 | 25861 | 0 | None | 25 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 54754969 | 72514 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834632 | 72514 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425645 | 92857 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230933 | 92857 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44453442 | 104466 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271290 | 104466 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44425645 | 92857 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230933 | 92857 | 0 | None | 7 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57395217 | 77784 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951768 | 77784 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
| 50992246 | 65245 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683074 | 65245 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 50992246 | 65245 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 65245 | 2 | None | -1 | 5 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44593561 | 19435 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL1187238 | 19435 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494580 | 19435 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 11192346 | 8805 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | 1 | 3 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 67011331 | 81320 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029424 | 81320 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 44425653 | 93004 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL231246 | 93004 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425290 | 160310 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL397997 | 160310 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11627639 | 101708 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL254355 | 101708 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44425653 | 93004 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL231246 | 93004 | 0 | None | 4 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425290 | 160310 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL397997 | 160310 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44453472 | 162317 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404259 | 162317 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 24801689 | 104570 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
| CHEMBL271828 | 104570 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
| 46830336 | 14622 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089793 | 14622 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 11421712 | 81318 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029421 | 81318 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 10008367 | 8803 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 777 | 8803 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289316 | 8803 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL2426341 | 8803 | 50 | None | 2 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 44425647 | 92876 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL231039 | 92876 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57395218 | 77785 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951769 | 77785 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
| 11192346 | 8805 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | 1 | 3 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 50992246 | 65245 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683074 | 65245 | 2 | None | -1 | 5 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 508869 | 102215 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257066 | 102215 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44425647 | 92876 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL231039 | 92876 | 0 | None | 5 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425643 | 92817 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230722 | 92817 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 46241717 | 90342 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204249 | 90342 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 46208367 | 90356 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204263 | 90356 | 13 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
| 24801522 | 167916 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
| CHEMBL411726 | 167916 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
| 56657929 | 72566 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834785 | 72566 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 46842383 | 15117 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092929 | 15117 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44425308 | 160485 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL398150 | 160485 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 10111333 | 182246 | 0 | None | 19 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 182246 | 0 | None | 19 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44425308 | 160485 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL398150 | 160485 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 54585107 | 69335 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782567 | 69335 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| 137654404 | 165348 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C(=O)N(CC(C)C)CC(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)=C3)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL4091736 | 165348 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C(=O)N(CC(C)C)CC(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)=C3)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
| 44421922 | 151328 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL390736 | 151328 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 321 | 4 | 3 | 4 | 3.2 | Nc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 9836178 | 91852 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224500 | 91852 | 2 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 306 | 4 | 2 | 3 | 3.6 | c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 10245340 | 175716 | 5 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL438783 | 175716 | 5 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 3.5 | Nc1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 | 10.1016/j.bmc.2006.10.028 | ||
| 67011331 | 81320 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029424 | 81320 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 57656657 | 81984 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036760 | 81984 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 56671792 | 72568 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834787 | 72568 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 162666730 | 189053 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 122181149 | 128615 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 4.8 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589844 | 128615 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 494 | 7 | 1 | 4 | 4.8 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 11534473 | 97474 | 0 | None | 117 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239144 | 97474 | 0 | None | 117 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
| 10117480 | 80491 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018380 | 80491 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 70688149 | 81999 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036777 | 81999 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44296219 | 108091 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 5.2 | Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL296609 | 108091 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 4 | 1 | 5 | 5.2 | Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2 | 10.1016/s0960-894x(00)00347-4 | ||
| 44442598 | 161166 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL398747 | 161166 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 71452241 | 90343 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204250 | 90343 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
| 10120067 | 80504 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018393 | 80504 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 70689914 | 81327 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
| CHEMBL2029571 | 81327 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
| 70689915 | 81328 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
| CHEMBL2029572 | 81328 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
| 162666730 | 189053 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | 562 | 3 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 56659197 | 72578 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834797 | 72578 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| 22725647 | 180478 | 0 | None | 52 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 180478 | 0 | None | 52 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155521447 | 177363 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 177363 | 0 | None | 3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 145954949 | 168423 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 539 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)NC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4130191 | 168423 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 539 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)NC1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 10129343 | 180044 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL452509 | 180044 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 56668309 | 72550 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834718 | 72550 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 54756038 | 72552 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834720 | 72552 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 49763571 | 72192 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829609 | 72192 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 46945254 | 72209 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829626 | 72209 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| 57344305 | 75714 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922797 | 75714 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44453373 | 104587 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271935 | 104587 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 54755079 | 72515 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834633 | 72515 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
| 3547 | 148151 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL38380 | 148151 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL541388 | 148151 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.09.052 | ||
| 3547 | 148151 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL38380 | 148151 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
| CHEMBL541388 | 148151 | 71 | None | -8 | 8 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 291 | 2 | 1 | 4 | 1.2 | O=S(=O)(c1cccc2cnccc12)N1CCCNCC1 | 10.1016/j.bmc.2006.10.028 | ||
| 122181236 | 128629 | 0 | None | 13 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589950 | 128629 | 0 | None | 13 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 11319072 | 81317 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029420 | 81317 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 57344296 | 75726 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922813 | 75726 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 23630215 | 69318 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782376 | 69318 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44453134 | 104840 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL273195 | 104840 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 67220645 | 82005 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036783 | 82005 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44453298 | 162018 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL402723 | 162018 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44442599 | 100424 | 0 | None | 31 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246804 | 100424 | 0 | None | 31 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 11353843 | 81322 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029566 | 81322 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 56683121 | 72585 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834853 | 72585 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 10196988 | 176244 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL442929 | 176244 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 57401954 | 75734 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922822 | 75734 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57656854 | 82003 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036781 | 82003 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 22143255 | 194637 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496343 | 194637 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 10323427 | 86535 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211775 | 86535 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 145953765 | 168304 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 537 | 8 | 1 | 7 | 4.2 | CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128372 | 168304 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 537 | 8 | 1 | 7 | 4.2 | CN(C1CCN(CCCn2ccc3c(Nc4ccc(Cl)c(Cl)c4)nccc3c2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 44442587 | 100584 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247608 | 100584 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 10323427 | 86535 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211775 | 86535 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 10129343 | 180044 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL452509 | 180044 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 145962575 | 168247 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.7 | CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4127580 | 168247 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 567 | 9 | 1 | 6 | 4.7 | CCS(=O)(=O)N(C)C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 10268598 | 65649 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 334 | 2 | 3 | 5 | 2.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 | 10.1021/jm1012903 | ||
| CHEMBL1688877 | 65649 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 334 | 2 | 3 | 5 | 2.7 | O=C(NC(=O)c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 | 10.1021/jm1012903 | ||
| 10436083 | 86652 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL212306 | 86652 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44415880 | 176118 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL441856 | 176118 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 46241010 | 90359 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204266 | 90359 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 56643545 | 75735 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922823 | 75735 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 10281316 | 80497 | 0 | None | 2 | 3 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018386 | 80497 | 0 | None | 2 | 3 | Mouse | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| 25154827 | 181363 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL455683 | 181363 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 56657930 | 72567 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834786 | 72567 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425643 | 92817 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230722 | 92817 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 10120907 | 80499 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018388 | 80499 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11227168 | 81325 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029569 | 81325 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 11527661 | 8802 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 9045 | 8802 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 11527661 | 8802 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9045 | 8802 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 22143346 | 179430 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL449672 | 179430 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 11753466 | 84415 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088380 | 84415 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 51039119 | 182996 | 33 | None | -1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 182996 | 33 | None | -1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 24801526 | 104392 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
| CHEMBL270959 | 104392 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
| 11330837 | 81326 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029570 | 81326 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 56671925 | 72523 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834640 | 72523 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 22725647 | 180478 | 0 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 180478 | 0 | None | 52 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 54582215 | 69334 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782566 | 69334 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10436083 | 86652 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL212306 | 86652 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 9858433 | 91853 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 2 | 3 | 3.8 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL224509 | 91853 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 324 | 4 | 2 | 3 | 3.8 | Fc1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 127025091 | 144988 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 2 | 7 | 1.2 | COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C | 10.1039/C5MD00362H | ||
| CHEMBL3769934 | 144988 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 424 | 3 | 2 | 7 | 1.2 | COc1sc(NC(=O)N2CCN(C(=O)[C@H]3CN(C(C)(C)C)CCN3)CC2)nc1C | 10.1039/C5MD00362H | ||
| 22143305 | 190391 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480228 | 190391 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44425306 | 149147 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL388949 | 149147 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44453592 | 166834 | 24 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL410829 | 166834 | 24 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453565 | 175786 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL439252 | 175786 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 49764447 | 72196 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829613 | 72196 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 24801525 | 104385 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL270906 | 104385 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 11598084 | 81979 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036755 | 81979 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57656641 | 81997 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036775 | 81997 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44425306 | 149147 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL388949 | 149147 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57656749 | 81985 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036761 | 81985 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44413147 | 146491 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL379818 | 146491 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44413147 | 146491 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL379818 | 146491 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 46241718 | 90346 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204253 | 90346 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
| 44453471 | 104646 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272283 | 104646 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453562 | 162433 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404837 | 162433 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10312346 | 195241 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502795 | 195241 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 54581190 | 69336 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782568 | 69336 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 70696470 | 81993 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036769 | 81993 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46241608 | 90344 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204251 | 90344 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 11756884 | 25861 | 0 | None | -25 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289083 | 25861 | 0 | None | -25 | 2 | Mouse | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 508729 | 102310 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257510 | 102310 | 1 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 145963612 | 168218 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.2 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCOCC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4127249 | 168218 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 448 | 6 | 1 | 5 | 4.2 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCOCC1 | 10.1016/j.bmc.2018.05.027 | ||
| 54582216 | 69339 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782571 | 69339 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54583186 | 69346 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782578 | 69346 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 122181151 | 128617 | 0 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589846 | 128617 | 0 | None | 7 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 54754722 | 72526 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834643 | 72526 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44453171 | 102512 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL258364 | 102512 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 57344221 | 75732 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922819 | 75732 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 145955877 | 168183 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.1 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4126634 | 168183 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 503 | 8 | 1 | 6 | 3.1 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3cccc(F)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 22143334 | 194587 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL495924 | 194587 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 10209478 | 80496 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018385 | 80496 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
| 11591776 | 152264 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL391459 | 152264 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 10239991 | 195226 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502516 | 195226 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44593555 | 195563 | 0 | None | 2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL505722 | 195563 | 0 | None | 2 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44453408 | 102213 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257064 | 102213 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44573608 | 194330 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494540 | 194330 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 10167417 | 80500 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018389 | 80500 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44453440 | 104464 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271288 | 104464 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44425293 | 160243 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397948 | 160243 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 22143155 | 194841 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497788 | 194841 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 11330529 | 81315 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029418 | 81315 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 22143146 | 190685 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481202 | 190685 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44453298 | 162018 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL402723 | 162018 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 57396999 | 77793 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| CHEMBL1951777 | 77793 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| 11192943 | 84399 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088212 | 84399 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 53322809 | 65231 | 0 | None | 13 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683060 | 65231 | 0 | None | 13 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 57391765 | 77790 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951774 | 77790 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
| 69035439 | 84423 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088388 | 84423 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 57656833 | 82004 | 0 | None | 4 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 82004 | 0 | None | 4 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10323427 | 86535 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL211775 | 86535 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 57400160 | 75700 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922783 | 75700 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 54584109 | 69321 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782379 | 69321 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44421868 | 91933 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 296 | 4 | 2 | 4 | 3.2 | c1coc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL225167 | 91933 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 296 | 4 | 2 | 4 | 3.2 | c1coc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098480 | 150921 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL390389 | 150921 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 145962604 | 168306 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(C(C)(C)C)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128399 | 168306 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 541 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(C(C)(C)C)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 11180383 | 84398 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088211 | 84398 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 22143200 | 194544 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL495718 | 194544 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44442586 | 100586 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247621 | 100586 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 10164316 | 161571 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400196 | 161571 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 56667036 | 72201 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829618 | 72201 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 56677288 | 72217 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829634 | 72217 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 11409228 | 81309 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029412 | 81309 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 46842084 | 14687 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1090206 | 14687 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| 57396722 | 75719 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 4 | 3 | 3 | 5.0 | O=C1NC2(CCC(c3c[nH]c4ccccc34)CC2)NC1C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922801 | 75719 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 536 | 4 | 3 | 3 | 5.0 | O=C1NC2(CCC(c3c[nH]c4ccccc34)CC2)NC1C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 11721085 | 173638 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL428559 | 173638 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 46927116 | 72211 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829628 | 72211 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 57656871 | 82002 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036780 | 82002 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 145962608 | 168312 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 2.4 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccccn3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128514 | 168312 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 486 | 8 | 1 | 7 | 2.4 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccccn3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 46241509 | 90337 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204244 | 90337 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 44423283 | 92082 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| CHEMBL226065 | 92082 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| 44442587 | 100584 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247608 | 100584 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 46944855 | 72208 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829625 | 72208 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44416273 | 145719 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL378449 | 145719 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44416273 | 145719 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL378449 | 145719 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57656938 | 81990 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036766 | 81990 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44442590 | 100547 | 0 | None | 169 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247455 | 100547 | 0 | None | 169 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442593 | 153978 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL392814 | 153978 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11647276 | 81982 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036758 | 81982 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 70681778 | 81992 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036768 | 81992 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
| 11690139 | 82000 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036778 | 82000 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57656719 | 81991 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036767 | 81991 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 56643545 | 75735 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922823 | 75735 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44580591 | 194638 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496344 | 194638 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44571218 | 190657 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481009 | 190657 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 22143258 | 190658 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481010 | 190658 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 11584094 | 195711 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL508015 | 195711 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 494 | 6 | 2 | 4 | 4.3 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 11613399 | 195724 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 5.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL508073 | 195724 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 526 | 6 | 2 | 4 | 5.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 11527661 | 8802 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 9045 | 8802 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 11353843 | 81322 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029566 | 81322 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 44453329 | 162130 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL403281 | 162130 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 53325639 | 65244 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683073 | 65244 | 0 | None | 1 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54583111 | 69319 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782377 | 69319 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44583281 | 195014 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL499467 | 195014 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 11421712 | 81318 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029421 | 81318 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 50925394 | 26100 | 0 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290636 | 26100 | 0 | None | 2 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 53324304 | 65238 | 0 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683067 | 65238 | 0 | None | 3 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 46240484 | 90354 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204261 | 90354 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 57394969 | 75715 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | NC(=O)C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922798 | 75715 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 499 | 7 | 2 | 3 | 4.5 | NC(=O)C(NC1CCC(c2ccccc2)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44421888 | 91968 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL225434 | 91968 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 307 | 4 | 1 | 3 | 3.6 | c1ccc(CN2CCC(Oc3ccc4[nH]ncc4c3)CC2)cc1 | 10.1016/j.bmc.2006.09.052 | ||
| 44421862 | 143158 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1csc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL373512 | 143158 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 3.7 | c1csc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 145961982 | 168311 | 0 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128498 | 168311 | 0 | None | 10 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 553 | 8 | 1 | 6 | 4.3 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 122181237 | 128630 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 574 | 7 | 2 | 4 | 6.0 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589951 | 128630 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 574 | 7 | 2 | 4 | 6.0 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1cc(O)ccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| 46842232 | 14654 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089965 | 14654 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| 11567495 | 81974 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036750 | 81974 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 24801526 | 104392 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
| CHEMBL270959 | 104392 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
| 145953762 | 168213 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4127135 | 168213 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 539 | 8 | 1 | 6 | 3.9 | CN(C1CCN(CCCN2CCc3c(ccnc3Nc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 10240278 | 179676 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL451597 | 179676 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 57344298 | 75727 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922814 | 75727 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44453409 | 102214 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257065 | 102214 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 57656715 | 81981 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036757 | 81981 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57344315 | 75716 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922799 | 75716 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44447436 | 161471 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL399717 | 161471 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44447436 | 161471 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL399717 | 161471 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CCC(CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2008.01.023 | ||
| 46240785 | 90357 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204264 | 90357 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 23630215 | 69318 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782376 | 69318 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54754724 | 72528 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834645 | 72528 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54580190 | 69345 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782577 | 69345 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 46842235 | 14608 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089629 | 14608 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 49764322 | 72215 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829632 | 72215 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| 11365166 | 81319 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029423 | 81319 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 135981707 | 72564 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834783 | 72564 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425654 | 93005 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL231247 | 93005 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425654 | 93005 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL231247 | 93005 | 0 | None | 2 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57344316 | 75709 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922792 | 75709 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 46240687 | 90360 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204267 | 90360 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 44439166 | 97321 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238731 | 97321 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 122181144 | 128610 | 0 | None | 35 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589839 | 128610 | 0 | None | 35 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
| 10182382 | 100737 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248418 | 100737 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22143293 | 194806 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497577 | 194806 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44583282 | 179474 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL450231 | 179474 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 22143241 | 190029 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL479642 | 190029 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 56643545 | 75735 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922823 | 75735 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 11591595 | 192936 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 2 | 4 | 4.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL487238 | 192936 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 512 | 6 | 2 | 4 | 4.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ncccc34)CC2)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 54755560 | 72553 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834721 | 72553 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56661451 | 72572 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834791 | 72572 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56683044 | 72576 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834795 | 72576 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 56662695 | 72579 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834798 | 72579 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| 10232019 | 80505 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018394 | 80505 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
| 57398750 | 77791 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951775 | 77791 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
| 127025092 | 145001 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 2 | 2 | 6 | 1.5 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770125 | 145001 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 414 | 2 | 2 | 6 | 1.5 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(Cl)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| 10152864 | 194653 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL496432 | 194653 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 57391768 | 77788 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951772 | 77788 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
| 25022597 | 102114 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL256629 | 102114 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44425633 | 92816 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230721 | 92816 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44425633 | 92816 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230721 | 92816 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 50991056 | 69340 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782572 | 69340 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10008367 | 8803 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 777 | 8803 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289316 | 8803 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL2426341 | 8803 | 50 | None | -2 | 3 | Mouse | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 44425635 | 160311 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL398000 | 160311 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 46240585 | 90358 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204265 | 90358 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| 10272003 | 65653 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688888 | 65653 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| 10272003 | 65653 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688888 | 65653 | 1 | None | 2 | 3 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 395 | 2 | 2 | 5 | 3.4 | Cc1nn(C)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12 | 10.1021/jm1012903 | ||
| 21098469 | 149130 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL388742 | 149130 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 326 | 4 | 2 | 3 | 3.9 | Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| 54585108 | 69337 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782569 | 69337 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54583187 | 69348 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782580 | 69348 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 46885214 | 14470 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1088810 | 14470 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 545 | 8 | 2 | 5 | 2.5 | CC(CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1)N1CCN(C(=O)c2ccccc2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| 145960485 | 168330 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 6 | 1 | 4 | 7.0 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(C=Cc3ccccc32)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128742 | 168330 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 546 | 6 | 1 | 4 | 7.0 | O=C1c2ccnc(Nc3ccc(Cl)c(Cl)c3)c2CCCN1CCCN1CCC2(C=Cc3ccccc32)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 44442586 | 100586 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247621 | 100586 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 54583112 | 69320 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782378 | 69320 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 46241826 | 90336 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204243 | 90336 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 145954490 | 168414 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 3.6 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4130047 | 168414 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 519 | 8 | 1 | 6 | 3.6 | CN(C1CCN(CCCN2CCCc3c(ccnc3Nc3ccc(Cl)cc3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 70693849 | 80506 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018395 | 80506 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
| 44453507 | 175757 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL439062 | 175757 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 54583185 | 69338 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782570 | 69338 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 57393249 | 75736 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C\c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922824 | 75736 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C\c2cc(F)cc(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 22143196 | 190766 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL481790 | 190766 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 22143196 | 190766 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481790 | 190766 | 0 | None | -3 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 57656825 | 81983 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036759 | 81983 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46842086 | 14751 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1090548 | 14751 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| 122181145 | 128611 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589840 | 128611 | 0 | None | 1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 44413411 | 84513 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL209002 | 84513 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44413411 | 84513 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL209002 | 84513 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44453534 | 104657 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272331 | 104657 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 44413144 | 145997 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL378784 | 145997 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44413144 | 145997 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL378784 | 145997 | 0 | None | -1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 145960924 | 168324 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 581 | 10 | 1 | 6 | 4.2 | CN(C1CCN(CCCN2CCCc3c(ccnc3NCCc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4128658 | 168324 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 581 | 10 | 1 | 6 | 4.2 | CN(C1CCN(CCCN2CCCc3c(ccnc3NCCc3ccc(Cl)c(Cl)c3)C2=O)CC1)S(C)(=O)=O | 10.1016/j.bmc.2018.05.027 | ||
| 162658125 | 187875 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 57335017 | 77113 | 0 | None | 1380 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944776 | 77113 | 0 | None | 1380 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 10142792 | 100516 | 0 | None | 26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247245 | 100516 | 0 | None | 26 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22143112 | 195224 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL502513 | 195224 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 22143305 | 190391 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480228 | 190391 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44570781 | 199344 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL521275 | 199344 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 56664979 | 72517 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834635 | 72517 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425635 | 160311 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL398000 | 160311 | 0 | None | 3 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11421840 | 84413 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088379 | 84413 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 11273379 | 81323 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029567 | 81323 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 44453365 | 104303 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270435 | 104303 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| 53322810 | 65246 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683075 | 65246 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44425630 | 92802 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230617 | 92802 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 9956238 | 66972 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688889 | 66972 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1739922 | 66972 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| 9956238 | 66972 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1688889 | 66972 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| CHEMBL1739922 | 66972 | 1 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 8 | 3.0 | Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12 | 10.1021/jm1012903 | ||
| 21098478 | 149418 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL389168 | 149418 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1cccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)c1 | 10.1016/j.bmc.2006.09.052 | ||
| 21098468 | 151451 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| CHEMBL390837 | 151451 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 340 | 4 | 2 | 3 | 4.3 | Clc1ccccc1CN1CCCC(Nc2ccc3[nH]ncc3c2)C1 | 10.1016/j.bmc.2006.09.052 | ||
| 68616341 | 80508 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018397 | 80508 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 57400161 | 75701 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 553 | 7 | 2 | 3 | 5.9 | CN(C1CCC(c2c[nH]c3ccccc23)CC1)C(C(=O)O)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922784 | 75701 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 553 | 7 | 2 | 3 | 5.9 | CN(C1CCC(c2c[nH]c3ccccc23)CC1)C(C(=O)O)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44442598 | 161166 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL398747 | 161166 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11843812 | 86679 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL212423 | 86679 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11606702 | 152532 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL391662 | 152532 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 57344307 | 75713 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922796 | 75713 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44413399 | 86304 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211404 | 86304 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 11843812 | 86679 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL212423 | 86679 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44413399 | 86304 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211404 | 86304 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2008.01.023 | ||
| 10187492 | 154568 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL393267 | 154568 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 54754723 | 72527 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834644 | 72527 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 57394967 | 75703 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 6.5 | CC(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922786 | 75703 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 6.5 | CC(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44413137 | 85667 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211292 | 85667 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 162658125 | 187875 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | 100 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 44425308 | 160485 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL398150 | 160485 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44413137 | 85667 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL211292 | 85667 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2008.01.023 | ||
| 155514261 | 176615 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 176615 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155514261 | 176615 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439854 | 176615 | 0 | None | -1 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 493 | 4 | 1 | 3 | 5.2 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 11273379 | 81323 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029567 | 81323 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 122181150 | 128616 | 0 | None | 125 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589845 | 128616 | 0 | None | 125 | 2 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 10165625 | 80503 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018392 | 80503 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 46884898 | 14489 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1088874 | 14489 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 46885027 | 15193 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093469 | 15193 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 53325460 | 65268 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683190 | 65268 | 0 | None | 2 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 56671923 | 72513 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834631 | 72513 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425630 | 92802 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL230617 | 92802 | 0 | None | 14 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.023 | ||
| 127025089 | 145083 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 2 | 2 | 6 | 1.0 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| CHEMBL3770951 | 145083 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 398 | 2 | 2 | 6 | 1.0 | CC(C)(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ncc(F)s3)CC2)C1 | 10.1039/C5MD00362H | ||
| 44453325 | 162320 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404269 | 162320 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 57395216 | 77787 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951771 | 77787 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
| 44453372 | 162523 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL405633 | 162523 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10281715 | 80498 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018387 | 80498 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 54582217 | 69344 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782576 | 69344 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 57344314 | 75705 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922788 | 75705 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57394968 | 75704 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)NC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922787 | 75704 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 525 | 7 | 3 | 3 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)NC2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57391487 | 75710 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(NC1CCC(C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922793 | 75710 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(NC1CCC(C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 70692344 | 81973 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036749 | 81973 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57398493 | 75725 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 473 | 6 | 4 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922811 | 75725 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 473 | 6 | 4 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccccc2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44563071 | 193474 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.0 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| CHEMBL488433 | 193474 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 525 | 6 | 2 | 4 | 4.0 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ncccc23)CC1 | 10.1016/j.bmcl.2008.10.061 | ||
| 11632418 | 81972 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036748 | 81972 | 1 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44415898 | 87896 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL215654 | 87896 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 44415898 | 87896 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| CHEMBL215654 | 87896 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2008.01.023 | ||
| 57344317 | 75707 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922790 | 75707 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 57344318 | 75708 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| CHEMBL1922791 | 75708 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | 10.1016/j.bmcl.2011.09.113 | ||
| 44453327 | 101870 | 25 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL255408 | 101870 | 25 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 57393497 | 75907 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924022 | 75907 | 0 | None | - | 0 | Human | 6.0 | pKd | = | 6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 15985912 | 90750 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 90750 | 0 | None | - | 0 | Human | 5.0 | pKd | = | 5 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 57400128 | 75900 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924015 | 75900 | 0 | None | - | 0 | Human | 5.9 | pKd | = | 5.9 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 57400125 | 75889 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924004 | 75889 | 0 | None | - | 0 | Human | 5.8 | pKd | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44180522 | 75909 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924024 | 75909 | 0 | None | - | 0 | Human | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393496 | 75906 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924021 | 75906 | 0 | None | - | 0 | Human | 5.6 | pKd | = | 5.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57656833 | 82004 | 0 | None | 4 | 4 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 82004 | 0 | None | 4 | 4 | Human | 8.5 | pKd | = | 8.5 | Functional | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57393219 | 75897 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924012 | 75897 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57400127 | 75899 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924014 | 75899 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393220 | 75901 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924016 | 75901 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 57397001 | 75903 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924018 | 75903 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 57400420 | 75904 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924019 | 75904 | 0 | None | - | 0 | Human | 6.4 | pKd | = | 6.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 57393495 | 75905 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924020 | 75905 | 0 | None | - | 0 | Human | 5.4 | pKd | = | 5.4 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57400129 | 75902 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924017 | 75902 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57395221 | 75908 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924023 | 75908 | 0 | None | - | 0 | Human | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57398458 | 75898 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924013 | 75898 | 0 | None | - | 0 | Human | 6.2 | pKd | = | 6.2 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 16124598 | 17501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171008 | 17501 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798435 | 17475 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170828 | 17475 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798434 | 17474 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.5 | O=C(O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170827 | 17474 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 490 | 6 | 2 | 5 | 5.5 | O=C(O)c1c(F)cccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798461 | 17465 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170725 | 17465 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 17756652 | 17502 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 473 | 6 | 2 | 6 | 4.7 | O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171011 | 17502 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 473 | 6 | 2 | 6 | 4.7 | O=C(O)c1cncc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798461 | 17465 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1170725 | 17465 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57398458 | 75898 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924013 | 75898 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.8 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393220 | 75901 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924016 | 75901 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 15985914 | 90749 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207080 | 90749 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 15985914 | 90749 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207080 | 90749 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 15985912 | 90750 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 90750 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 57394938 | 75893 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924008 | 75893 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57394938 | 75893 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924008 | 75893 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 49798291 | 17329 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169652 | 17329 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798289 | 17422 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170391 | 17422 | 0 | None | - | 0 | Mouse | 6.0 | pKi | = | 6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798289 | 17422 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170391 | 17422 | 0 | None | - | 0 | Human | 5.0 | pKi | = | 5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798462 | 17368 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 5.7 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169994 | 17368 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 463 | 5 | 1 | 5 | 5.7 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 44296310 | 195048 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL49994 | 195048 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296310 | 195048 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL49994 | 195048 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296310 | 195048 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL49994 | 195048 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 458 | 10 | 2 | 3 | 5.4 | CN(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798289 | 17422 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170391 | 17422 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 9870980 | 161426 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL399472 | 161426 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798265 | 17500 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171006 | 17500 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798461 | 17465 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1170725 | 17465 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 443 | 5 | 1 | 5 | 5.3 | Cc1ncccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393218 | 75892 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924007 | 75892 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 9870980 | 161426 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL399472 | 161426 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296287 | 108464 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299379 | 108464 | 0 | None | - | 0 | Human | 4.9 | pKi | = | 4.9 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57400125 | 75889 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924004 | 75889 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57400126 | 75890 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924005 | 75890 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44296265 | 201374 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53131 | 201374 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296265 | 201374 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53131 | 201374 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296265 | 201374 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53131 | 201374 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 491 | 10 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(-c2ccccc2)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798463 | 17369 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 454 | 5 | 1 | 6 | 4.9 | N#Cc1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169995 | 17369 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 454 | 5 | 1 | 6 | 4.9 | N#Cc1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798289 | 17422 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170391 | 17422 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1c(F)cccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798347 | 17347 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169824 | 17347 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798323 | 17560 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171760 | 17560 | 0 | None | - | 0 | Mouse | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 19430534 | 17544 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171586 | 17544 | 0 | None | - | 0 | Mouse | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 57396690 | 75895 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924010 | 75895 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57400128 | 75900 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924015 | 75900 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 44296501 | 108563 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL300025 | 108563 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296501 | 108563 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL300025 | 108563 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296501 | 108563 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL300025 | 108563 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 472 | 8 | 3 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296264 | 201373 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.6 | CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53130 | 201373 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.6 | CC(C)(C)c1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44446951 | 101379 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL252186 | 101379 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44446951 | 101379 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL252186 | 101379 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 471 | 12 | 2 | 2 | 6.7 | CCCCc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798438 | 17464 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 5.0 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170722 | 17464 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 429 | 5 | 1 | 5 | 5.0 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798323 | 17560 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171760 | 17560 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798464 | 17401 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170187 | 17401 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 430 | 5 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)cnc1Oc1cccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798264 | 17559 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171758 | 17559 | 0 | None | - | 0 | Mouse | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 57400129 | 75902 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924017 | 75902 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 6.4 | O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57400125 | 75889 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924004 | 75889 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57391450 | 75894 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924009 | 75894 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44296268 | 108620 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 513 | 9 | 3 | 3 | 6.7 | Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL300455 | 108620 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 513 | 9 | 3 | 3 | 6.7 | Cc1[nH]c2ccc(O)cc2c1C1CCN(CCCCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 57393496 | 75906 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924021 | 75906 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 629 | 9 | 2 | 5 | 7.1 | Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393497 | 75907 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924022 | 75907 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 645 | 10 | 2 | 6 | 6.8 | COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 49798437 | 17331 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 515 | 8 | 3 | 6 | 4.4 | O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169660 | 17331 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 515 | 8 | 3 | 6 | 4.4 | O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 44296155 | 108279 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL297950 | 108279 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296155 | 108279 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL297950 | 108279 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57391449 | 75891 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924006 | 75891 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 49798264 | 17559 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171758 | 17559 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798292 | 17330 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169653 | 17330 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798265 | 17500 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171006 | 17500 | 0 | None | - | 0 | Mouse | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 57391450 | 75894 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924009 | 75894 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44296155 | 108279 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL297950 | 108279 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 455 | 7 | 2 | 2 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57394939 | 75896 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924011 | 75896 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44296269 | 201514 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53557 | 201514 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296269 | 201514 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53557 | 201514 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 440 | 9 | 2 | 3 | 5.2 | N#Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296287 | 108464 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL299379 | 108464 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 472 | 10 | 3 | 3 | 5.3 | CC(=O)Nc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 57400127 | 75899 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924014 | 75899 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 616 | 9 | 2 | 6 | 6.2 | O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 49798436 | 17476 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170829 | 17476 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 472 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798349 | 17563 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171786 | 17563 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798399 | 17472 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170801 | 17472 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798265 | 17500 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171006 | 17500 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 25110660 | 101571 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL253424 | 101571 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 25110660 | 101571 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL253424 | 101571 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296630 | 108142 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL297033 | 108142 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296630 | 108142 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL297033 | 108142 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296630 | 108142 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL297033 | 108142 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 493 | 9 | 2 | 2 | 6.1 | O=C(/C=C/c1ccc(Br)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296366 | 196205 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cc(O)ccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL51332 | 196205 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cc(O)ccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296384 | 201712 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL54192 | 201712 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3cccc(O)c23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 49798292 | 17330 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169653 | 17330 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 421 | 6 | 2 | 4 | 4.8 | O=C(O)c1ccccc1Oc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798264 | 17559 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171758 | 17559 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798264 | 17559 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171758 | 17559 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 403 | 6 | 2 | 4 | 4.6 | O=C(O)c1ccccc1Oc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798397 | 17470 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1ncncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170799 | 17470 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1ncncc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798351 | 17565 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.2 | CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171788 | 17565 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 341 | 5 | 2 | 4 | 3.2 | CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1C(=O)O | 10.1016/j.bmcl.2010.04.142 | ||
| 49798325 | 17578 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171938 | 17578 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 57400420 | 75904 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924019 | 75904 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 57391449 | 75891 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924006 | 75891 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 583 | 9 | 3 | 7 | 4.3 | O=C(NCCN1CCNCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44296087 | 108432 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL299153 | 108432 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296087 | 108432 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299153 | 108432 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296344 | 169333 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 513 | 9 | 2 | 4 | 6.4 | Cn1cc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL416833 | 169333 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 513 | 9 | 2 | 4 | 6.4 | Cn1cc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(O)ccc21 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296087 | 108432 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299153 | 108432 | 0 | None | - | 0 | Human | 6.4 | pKi | = | 6.4 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296469 | 201537 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53779 | 201537 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296409 | 201605 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53930 | 201605 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296469 | 201537 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53779 | 201537 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296409 | 201605 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53930 | 201605 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296469 | 201537 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53779 | 201537 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 471 | 9 | 2 | 2 | 6.2 | O=C(Cc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296409 | 201605 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53930 | 201605 | 0 | None | - | 0 | Human | 5.4 | pKi | = | 5.4 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccccc1Cl)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296629 | 108456 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL299322 | 108456 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296629 | 108456 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299322 | 108456 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296629 | 108456 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299322 | 108456 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 541 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(I)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798350 | 17564 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171787 | 17564 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)s1 | 10.1016/j.bmcl.2010.04.142 | ||
| 10436045 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
| 782 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL432713 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(00)00347-4 | ||
| 10436045 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
| 782 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL432713 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798398 | 17471 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1170800 | 17471 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 438 | 6 | 2 | 5 | 4.7 | O=C(O)c1ccccc1Oc1cnccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798489 | 17505 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 434 | 5 | 1 | 6 | 4.6 | Cc1ncccc1Oc1ncc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171035 | 17505 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 434 | 5 | 1 | 6 | 4.6 | Cc1ncccc1Oc1ncc(C#N)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 10436045 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
| 782 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL432713 | 10289 | 4 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798325 | 17578 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171938 | 17578 | 0 | None | - | 0 | Mouse | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 25110679 | 174931 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL433081 | 174931 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(00)00347-4 | ||
| 25110679 | 174931 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL433081 | 174931 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| 25110679 | 174931 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL433081 | 174931 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 457 | 8 | 2 | 2 | 6.3 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296428 | 108538 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL299855 | 108538 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296428 | 108538 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299855 | 108538 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296428 | 108538 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL299855 | 108538 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1ccc(Cl)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 25110564 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53819 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 25110564 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53819 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 25110564 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53819 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 25110564 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53819 | 201552 | 0 | None | - | 0 | Human | 5.3 | pKi | = | 5.3 | Functional | ChEMBL | 465 | 9 | 2 | 2 | 6.6 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296398 | 195069 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL50025 | 195069 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296398 | 195069 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL50025 | 195069 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296410 | 201498 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53476 | 201498 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296410 | 201498 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53476 | 201498 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296398 | 195069 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL50025 | 195069 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1ccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296410 | 201498 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53476 | 201498 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 449 | 9 | 2 | 2 | 6.0 | O=C(/C=C/c1cccc(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 10940216 | 197987 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 513 | 10 | 2 | 3 | 6.7 | COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL51895 | 197987 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 513 | 10 | 2 | 3 | 6.7 | COc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296077 | 108661 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL300744 | 108661 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296077 | 108661 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL300744 | 108661 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 485 | 10 | 2 | 2 | 6.6 | O=C(CCc1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44180522 | 75909 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924024 | 75909 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 631 | 10 | 2 | 6 | 6.4 | COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393219 | 75897 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924012 | 75897 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 581 | 9 | 2 | 5 | 6.5 | O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57393495 | 75905 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924020 | 75905 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 637 | 9 | 2 | 5 | 6.7 | O=C(NCCN1CCC(F)(F)C1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 57400126 | 75890 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924005 | 75890 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1016/j.bmcl.2011.10.038 | ||
| 49798265 | 17500 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171006 | 17500 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 5.8 | O=C(O)c1ccccc1Oc1c(F)cc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798291 | 17329 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1169652 | 17329 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 428 | 6 | 2 | 5 | 4.5 | N#Cc1ccc(Oc2ccccc2C(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798326 | 17518 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171207 | 17518 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 49798326 | 17518 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171207 | 17518 | 0 | None | - | 0 | Mouse | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 417 | 6 | 2 | 4 | 4.9 | Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccccc2C(=O)O)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 44296309 | 195407 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL50301 | 195407 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296309 | 195407 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL50301 | 195407 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296309 | 195407 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL50301 | 195407 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 431 | 9 | 3 | 3 | 5.1 | O=C(/C=C/c1ccc(O)cc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 9870980 | 211064 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL71297 | 211064 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57394939 | 75896 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924011 | 75896 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 6 | 5.5 | O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 9870980 | 211064 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL71297 | 211064 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296154 | 195933 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL51094 | 195933 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296154 | 195933 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL51094 | 195933 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296154 | 195933 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL51094 | 195933 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 469 | 8 | 2 | 2 | 6.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 49798348 | 17547 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171614 | 17547 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 5.3 | O=C(O)c1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cccc(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 25110678 | 201326 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL52956 | 201326 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/s0960-894x(00)00347-4 | ||
| 25110678 | 201326 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL52956 | 201326 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 25110678 | 201326 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL52956 | 201326 | 0 | None | - | 0 | Human | 5.1 | pKi | = | 5.1 | Functional | ChEMBL | 467 | 8 | 2 | 2 | 5.7 | O=C(NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1)c1ccc(Br)cc1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296137 | 108353 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 576 | 11 | 3 | 4 | 6.0 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL298562 | 108353 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 576 | 11 | 3 | 4 | 6.0 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)c2c1 | 10.1016/s0960-894x(00)00347-4 | ||
| 25110660 | 161651 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL400698 | 161651 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57393218 | 75892 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924007 | 75892 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 15985912 | 90750 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 90750 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214709 | 90753 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207084 | 90753 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214709 | 90753 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207084 | 90753 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 25110660 | 161651 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL400698 | 161651 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296628 | 195494 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL50460 | 195494 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296266 | 201632 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53991 | 201632 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296628 | 195494 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL50460 | 195494 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296266 | 201632 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53991 | 201632 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57396690 | 75895 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924010 | 75895 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 582 | 9 | 2 | 6 | 5.9 | O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 49798396 | 17530 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1nccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171398 | 17530 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 439 | 6 | 2 | 6 | 4.1 | O=C(O)c1ccccc1Oc1nccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2010.04.142 | ||
| 19430534 | 17544 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| CHEMBL1171586 | 17544 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 5.7 | O=C(O)c1ccccc1Oc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.142 | ||
| 44296628 | 195494 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL50460 | 195494 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 483 | 9 | 2 | 2 | 6.4 | O=C(/C=C/c1cccc(C(F)(F)F)c1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296266 | 201632 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53991 | 201632 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 429 | 9 | 2 | 2 | 5.7 | Cc1cccc(/C=C/C(=O)NCCCCCN2CCC(c3c[nH]c4ccccc34)CC2)c1 | 10.1016/j.bmcl.2007.12.072 | ||
| 57397001 | 75903 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924018 | 75903 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl | 10.1016/j.bmcl.2011.10.038 | ||
| 57395221 | 75908 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| CHEMBL1924023 | 75908 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 615 | 9 | 2 | 5 | 6.7 | Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.10.038 | ||
| 44296429 | 201485 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| CHEMBL53402 | 201485 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/s0960-894x(00)00347-4 | ||
| 44296429 | 201485 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53402 | 201485 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 44296429 | 201485 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| CHEMBL53402 | 201485 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 415 | 9 | 2 | 2 | 5.3 | O=C(/C=C/c1ccccc1)NCCCCCN1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2007.12.072 | ||
| 8921 | 9912 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | Guide to Pharmacology | None | None | None | None | None | ||||
| 11185 | 8772 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
| 25134303 | 8772 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
| CHEMBL2178573 | 8772 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
| DB16066 | 8772 | 42 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | None | ||
| 769 | 7613 | 0 | None | -28 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
| 769 | 7613 | 0 | None | -28 | 3 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
| 11192346 | 8805 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
| 9032 | 8805 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
| CHEMBL2029422 | 8805 | 57 | None | 1 | 3 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Guide to Pharmacology | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 24900280 | ||
| 11527661 | 8802 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
| 9045 | 8802 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 24900329 | ||
| 776 | 7640 | 0 | None | 1 | 2 | Human | 8.5 | pIC50 | = | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
| 759 | 7654 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
| 759 | 7654 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
| 759 | 7654 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
| 11597 | 7461 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
| 23725180 | 7461 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
| CHEMBL4781426 | 7461 | 5 | None | 11 | 2 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 34141082 | ||
| 46213922 | 7334 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
| 57656761 | 7334 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
| 7825 | 7334 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | 411 | 3 | 2 | 4 | 1.8 | O=C(N1CCN(CC1)C(=O)[C@@H]1NCCN(C1)C(C)C)Nc1ccc(c(c1)F)Cl | None | ||
| 772 | 7657 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
| 770 | 7615 | 0 | None | -7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
| 770 | 7615 | 0 | None | -7 | 2 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
| 68764898 | 7459 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
| 9430 | 7459 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
| CHEMBL3577945 | 7459 | 2 | None | 3 | 2 | Human | 9.2 | pIC50 | = | 9.2 | Functional | Guide to Pharmacology | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 25893046 | ||
| 771 | 7625 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 10770925 | ||||
| 771 | 7625 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
| 771 | 7625 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
| 771 | 7625 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 9276730 | ||||
| 771 | 7625 | 0 | None | - | 1 | Human | 9.8 | pIC50 | = | 9.8 | Functional | Guide to Pharmacology | None | None | None | None | 9346309 | ||||
| 775 | 7637 | 0 | None | -316 | 2 | Human | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 15207250 | ||||
| 10000456 | 10162 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
| 779 | 10162 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
| CHEMBL1593104 | 10162 | 33 | None | 1 | 2 | Human | 6.3 | pIC50 | None | 6.3 | Functional | Guide to Pharmacology | 390 | 3 | 1 | 3 | 4.8 | O=C1Nc2ccccc2C2(O1)CCN(CC2)CCc1ccc(cc1)C(F)(F)F | 10770925 | ||
| 774 | 10749 | 0 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 12554737 | ||||
| 10008367 | 8803 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
| 777 | 8803 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
| CHEMBL1289316 | 8803 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
| CHEMBL2426341 | 8803 | 50 | None | -2 | 3 | Mouse | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 16210643 | ||
| 773 | 8718 | 0 | None | 12 | 2 | Human | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 9789057 | ||||
| 5071702 | 10165 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 235 | 3 | 1 | 2 | 2.9 | Clc1cccc(c1)Cn1cccc1C(=O)O | 10770925 | ||
| 780 | 10165 | 0 | None | - | 1 | Human | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | 235 | 3 | 1 | 2 | 2.9 | Clc1cccc(c1)Cn1cccc1C(=O)O | 10770925 | ||
| 778 | 9246 | 0 | None | - | 1 | Human | 8.8 | pIC50 | None | 8.8 | Functional | Guide to Pharmacology | None | None | None | None | 9600978 | ||||
| 486830 | 10774 | 0 | None | 6 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 768 | 10774 | 0 | None | 6 | 5 | Human | 9.1 | pIC50 | None | 9.1 | Functional | Guide to Pharmacology | None | None | None | None | 9287217 | ||||
| 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 |
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 10.5 | pIC50 | = | 10.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| 4410 | 9911 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| 65015 | 9911 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| 844 | 9911 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| CHEMBL18442 | 9911 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| DB06809 | 9911 | 106 | None | - | 1 | Human | 10.4 | pIC50 | = | 10.4 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| 4410 | 9911 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| 65015 | 9911 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| 844 | 9911 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| CHEMBL18442 | 9911 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| DB06809 | 9911 | 106 | None | - | 1 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | 10.1074/jbc.m705302200 | ||
| 68767577 | 116593 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233186 | 116593 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 68988296 | 116595 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233188 | 116595 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 11627840 | 102474 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 6.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL258205 | 102474 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 6.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 68764898 | 7459 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 7459 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 7459 | 2 | None | - | 3 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1074/jbc.m705302200 | ||
| 90656027 | 117903 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 557 | 4 | 1 | 5 | 4.6 | CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263286 | 117903 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 557 | 4 | 1 | 5 | 4.6 | CNC(=O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
| 91884571 | 188239 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4764460 | 188239 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 46886055 | 14816 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1090893 | 14816 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 593 | 9 | 1 | 5 | 4.8 | CCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 68767577 | 116593 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233186 | 116593 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 545 | 8 | 1 | 5 | 3.7 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 10289827 | 194755 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL497202 | 194755 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 571 | 9 | 2 | 6 | 3.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 46886536 | 15078 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 8 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092678 | 15078 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 593 | 8 | 1 | 5 | 4.7 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 154572822 | 177880 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4457723 | 177880 | 1 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 542 | 7 | 2 | 7 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 16064151 | 128017 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577948 | 128017 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.2 | CC(C)[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 44425292 | 92743 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230281 | 92743 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 68764925 | 128015 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577946 | 128015 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 46865775 | 14886 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL1091605 | 14886 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 68769744 | 116594 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 533 | 8 | 1 | 5 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233187 | 116594 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 533 | 8 | 1 | 5 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(=O)(=O)C(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 11192346 | 8805 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 68764925 | 128015 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577946 | 128015 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 477 | 6 | 1 | 5 | 4.9 | CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 68767049 | 128012 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577942 | 128012 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
| 162668957 | 189539 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4790208 | 189539 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 68769143 | 116591 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233184 | 116591 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
| 11643006 | 102049 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 5.3 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL256301 | 102049 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 5.3 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11540494 | 102245 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257191 | 102245 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11598 | 7460 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 23725177 | 7460 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4442783 | 7460 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 11598 | 7460 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 23725177 | 7460 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4442783 | 7460 | 9 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 68767802 | 116588 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233181 | 116588 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 506 | 7 | 1 | 6 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 68764898 | 7459 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 9430 | 7459 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL3577945 | 7459 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 68764898 | 7459 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 7459 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 7459 | 2 | None | - | 3 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 11597 | 7461 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 23725180 | 7461 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4781426 | 7461 | 5 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 46865774 | 14885 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1091604 | 14885 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 46886539 | 15121 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 597 | 8 | 1 | 5 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092941 | 15121 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 597 | 8 | 1 | 5 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 46865774 | 14885 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1091604 | 14885 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44425294 | 150143 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL389771 | 150143 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 46865774 | 14885 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
| CHEMBL1091604 | 14885 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
| 66767933 | 128003 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577933 | 128003 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 531 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCC(C)(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 11192943 | 84399 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088212 | 84399 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 628 | 8 | 2 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 68772423 | 178743 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4470701 | 178743 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 541 | 7 | 1 | 7 | 3.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 50925394 | 26100 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290636 | 26100 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 22143334 | 194587 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL495924 | 194587 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 509 | 8 | 4 | 6 | 2.7 | CSc1ccc(CNC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 68988296 | 116595 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233188 | 116595 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 559 | 7 | 1 | 5 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 11721374 | 101768 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 8 | 3 | 5 | 4.4 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL254772 | 101768 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 604 | 8 | 3 | 5 | 4.4 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44448839 | 162233 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 6 | 3 | 4 | 4.7 | Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL403889 | 162233 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 6 | 3 | 4 | 4.7 | Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44448879 | 162447 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.8 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL404904 | 162447 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 527 | 6 | 3 | 4 | 4.8 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 46865775 | 14886 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1091605 | 14886 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 46865775 | 14886 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL1091605 | 14886 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 579 | 8 | 1 | 5 | 4.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 57402219 | 77783 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| CHEMBL1951766 | 77783 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| 68767049 | 128012 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577942 | 128012 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 4.9 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NCC)C1=O | 10.1021/ml500505q | ||
| 68867935 | 116592 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 4.0 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233185 | 116592 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 539 | 9 | 1 | 5 | 4.0 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(-c3ccccc3)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
| 11598 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 23725177 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4442783 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.8b00439 | ||
| 11598 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 23725177 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4442783 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 66768099 | 128002 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577932 | 128002 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 517 | 13 | 6 | 5 | 2.9 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 69035439 | 84423 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088388 | 84423 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 68767124 | 116587 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 3.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233180 | 116587 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 505 | 7 | 1 | 5 | 3.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 68769143 | 116591 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233184 | 116591 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 531 | 8 | 1 | 5 | 3.3 | CCS(=O)(=O)C[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2014.02.013 | ||
| 89845025 | 116596 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 575 | 8 | 1 | 6 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233189 | 116596 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 575 | 8 | 1 | 6 | 4.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 44593562 | 194274 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 46865774 | 14885 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
| CHEMBL1091604 | 14885 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1021/ml500505q | ||
| 68768923 | 116597 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 577 | 7 | 1 | 5 | 4.3 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233190 | 116597 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 577 | 7 | 1 | 5 | 4.3 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)C(C)(C)C)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 10240064 | 195207 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502247 | 195207 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 10 | 2 | 6 | 4.6 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 10129192 | 195238 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502793 | 195238 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 599 | 11 | 2 | 6 | 4.6 | CCN(CC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| 91884571 | 188239 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4764460 | 188239 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 471 | 5 | 3 | 5 | 2.5 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(C)(C)C)n2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 10144709 | 173663 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 6 | 2 | 3 | 6.7 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL428602 | 173663 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 574 | 6 | 2 | 3 | 6.7 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44425245 | 92551 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 608 | 7 | 2 | 5 | 6.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CCC12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL229316 | 92551 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 608 | 7 | 2 | 5 | 6.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CCC12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425281 | 160025 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 612 | 9 | 4 | 5 | 6.2 | N=C(N)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397749 | 160025 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 612 | 9 | 4 | 5 | 6.2 | N=C(N)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 11606411 | 92083 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| CHEMBL226066 | 92083 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| 11598 | 7460 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | ||
| 23725177 | 7460 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | ||
| CHEMBL4442783 | 7460 | 9 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1016/j.ejmech.2020.112736 | ||
| 57335017 | 77113 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944776 | 77113 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 10175425 | 200312 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL526752 | 200312 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 614 | 10 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 155531379 | 178384 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4465351 | 178384 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 532 | 7 | 1 | 5 | 2.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](N(C)S(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 44454820 | 104666 | 8 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.016 | ||
| CHEMBL272369 | 104666 | 8 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2008.01.016 | ||
| 44425293 | 160243 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397948 | 160243 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44423283 | 92082 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| CHEMBL226065 | 92082 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| 44593563 | 199889 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL522688 | 199889 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| 44593562 | 194274 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 71768865 | 117899 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 499 | 3 | 0 | 4 | 4.8 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263282 | 117899 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 499 | 3 | 0 | 4 | 4.8 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162656188 | 187694 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4757857 | 187694 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| 24794583 | 187872 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4760098 | 187872 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| 44425254 | 149038 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388487 | 149038 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 16066354 | 128013 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577943 | 128013 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
| 122178128 | 128010 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
| CHEMBL3577940 | 128010 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
| 42606792 | 116585 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233178 | 116585 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 42606792 | 116585 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL3233178 | 116585 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 44425250 | 92827 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 630 | 9 | 2 | 5 | 6.9 | CC(=O)Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230790 | 92827 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 630 | 9 | 2 | 5 | 6.9 | CC(=O)Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 16216716 | 160308 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397996 | 160308 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 22143255 | 194637 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496343 | 194637 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 523 | 7 | 4 | 6 | 2.4 | CSc1ccc(C(=O)NC2CCN(C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 11753466 | 84415 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088380 | 84415 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 575 | 8 | 2 | 6 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C#N)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 69035677 | 84424 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088389 | 84424 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 590 | 8 | 1 | 5 | 5.6 | CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 155529593 | 178234 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| CHEMBL4463290 | 178234 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 2 | 5 | 2.2 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](NS(C)(=O)=O)C1 | 10.1021/acsmedchemlett.8b00439 | ||
| 44425652 | 175547 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL437359 | 175547 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 50925394 | 26100 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290636 | 26100 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 517 | 8 | 2 | 4 | 4.4 | CCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 52941377 | 26101 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290637 | 26101 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 68004034 | 93357 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315922 | 93357 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 76315270 | 91675 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 4.4 | CCO[C@@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 | 10.1007/s00044-010-9497-9 | ||
| CHEMBL2236474 | 91675 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 576 | 9 | 2 | 7 | 4.4 | CCO[C@@H]1CN([C@H]2CC[C@@](O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CCC(=O)c1cccc(C(F)(F)F)c1 | 10.1007/s00044-010-9497-9 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 53389845 | 179740 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4517518 | 179740 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 11663882 | 101886 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1cccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255500 | 101886 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1cccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1016/j.bmcl.2008.05.010 | ||
| 11713221 | 102376 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257768 | 102376 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11606147 | 162122 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.7 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL403250 | 162122 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.7 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44448807 | 162177 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 558 | 6 | 4 | 4 | 5.7 | O=C(O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL403581 | 162177 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 558 | 6 | 4 | 4 | 5.7 | O=C(O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 57656715 | 81981 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036757 | 81981 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 4.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 70693849 | 80506 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018395 | 80506 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 491 | 11 | 5 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNc1n[nH]c2ccc(C(F)(F)F)cc12 | 10.1016/j.bmcl.2012.03.007 | ||
| 49763682 | 72195 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829612 | 72195 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 4.0 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44441352 | 100158 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 509 | 7 | 1 | 2 | 6.8 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245686 | 100158 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 509 | 7 | 1 | 2 | 6.8 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44441347 | 100567 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 455 | 7 | 1 | 2 | 6.1 | Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL247537 | 100567 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 455 | 7 | 1 | 2 | 6.1 | Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)cc2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44425631 | 148853 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL388007 | 148853 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44413089 | 84682 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 8 | 1 | 3 | 5.1 | CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL209411 | 84682 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 459 | 8 | 1 | 3 | 5.1 | CN(C)CC/C=N/[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 11319072 | 81317 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029420 | 81317 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cncnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 11330837 | 81326 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029570 | 81326 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2cc(C(F)(F)F)ncn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 11756884 | 25861 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289083 | 25861 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 11562947 | 96601 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 544 | 6 | 3 | 4 | 5.6 | O=C(O)C(C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237754 | 96601 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 544 | 6 | 3 | 4 | 5.6 | O=C(O)C(C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 12093170 | 7659 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
| 9431 | 7659 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL4519152 | 7659 | 31 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL5268600 | 200351 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01309 | ||
| 57395216 | 77787 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951771 | 77787 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ncccn3)CC2)C1 | 10.1021/ml200030q | ||
| 53322809 | 65231 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683060 | 65231 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53321483 | 65249 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683078 | 65249 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 57391766 | 77792 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951776 | 77792 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cnccn3)CC2)C1 | 10.1021/ml200030q | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 10184250 | 80477 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018365 | 80477 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10186010 | 80486 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 513 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018375 | 80486 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 513 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)c2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 46241120 | 90351 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cccs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204258 | 90351 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 481 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cccs3)CC2)C1 | 10.1021/ml300260s | ||
| 44442557 | 161704 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL401010 | 161704 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2(C)CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
| 89823342 | 133137 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650405 | 133137 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 56680600 | 72191 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829607 | 72191 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 501 | 6 | 2 | 5 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44413167 | 86494 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL211560 | 86494 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 46842232 | 14654 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089965 | 14654 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| 10161975 | 100735 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248416 | 100735 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11843945 | 84827 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 1 | 2 | 6.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL209975 | 84827 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 504 | 8 | 1 | 2 | 6.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 5481702 | 212602 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| CHEMBL83338 | 212602 | 1 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 556 | 8 | 0 | 4 | 5.3 | CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 | 10.1016/s0960-894x(00)00639-9 | ||
| 56672021 | 72389 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 5 | 2 | 5 | 3.0 | C#C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1833983 | 72389 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 5 | 2 | 5 | 3.0 | C#C[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44453208 | 176201 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL442451 | 176201 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 11329244 | 77891 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
| CHEMBL195433 | 77891 | 11 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 486 | 7 | 2 | 5 | 5.4 | CC(=O)c1sc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)nc1C | 10.1021/jm049530m | ||
| 11272103 | 131153 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
| CHEMBL363840 | 131153 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 505 | 7 | 2 | 6 | 4.7 | Cn1nnnc1-c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)c1 | 10.1021/jm049530m | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
| 11227368 | 84418 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 618 | 9 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088383 | 84418 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 618 | 9 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C3CCCC3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 25267730 | 155028 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 5.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL393632 | 155028 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 5.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)CC1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 9885683 | 25719 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.9 | O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL128640 | 25719 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 369 | 3 | 1 | 4 | 3.9 | O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 89823584 | 133106 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 3.8 | COc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C[C@@H](N[C@H]2CCOC[C@H]2OC)C3)cc1C(F)(F)F | nan | ||
| CHEMBL3650376 | 133106 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 537 | 6 | 1 | 6 | 3.8 | COc1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@]23CCC[C@@H]2C[C@@H](N[C@H]2CCOC[C@H]2OC)C3)cc1C(F)(F)F | nan | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 44353196 | 27697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 343 | 3 | 1 | 4 | 4.2 | Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL131087 | 27697 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 343 | 3 | 1 | 4 | 4.2 | Clc1ccc(Cn2c(-c3nn[nH]n3)cc3ccccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
| 10371682 | 80590 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018541 | 80590 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| 22310939 | 122443 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL335378 | 122443 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2ccc(C(F)(F)F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 70681778 | 81992 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036768 | 81992 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)c1 | 10.1016/j.bmcl.2012.04.118 | ||
| 89823498 | 133091 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
| CHEMBL3650361 | 133091 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
| 44439169 | 97549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239170 | 97549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44439169 | 97549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239170 | 97549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 622 | 16 | 1 | 5 | 8.8 | CCC(C)CC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 49863202 | 21984 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 550 | 12 | 1 | 4 | 7.6 | CCN(CC)C(C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210670 | 21984 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 550 | 12 | 1 | 4 | 7.6 | CCN(CC)C(C)CCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 71518728 | 93183 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314065 | 93183 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 44414578 | 85183 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.2 | C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL211106 | 85183 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.2 | C[C@](CCN1CCC(c2ccccc2)CC1)(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 11570431 | 98757 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241502 | 98757 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44353418 | 29309 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL132584 | 29309 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cccc([N+](=O)[O-])c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 71768830 | 117882 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263261 | 117882 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 57344302 | 137425 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 554 | 7 | 3 | 4 | 5.3 | CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1 | nan | ||
| CHEMBL3681893 | 137425 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 554 | 7 | 3 | 4 | 5.3 | CC1(C)Cc2cc(/C=C/C(=O)N3CCC(C(NC4CCC(c5c[nH]c6ccccc56)CC4)C(N)=O)CC3)ccc2O1 | nan | ||
| 72663455 | 136179 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671251 | 136179 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 11753664 | 84397 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088210 | 84397 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 10207639 | 80587 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 12 | 4 | 5 | 3.7 | CCC[C@H](OC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018538 | 80587 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 12 | 4 | 5 | 3.7 | CCC[C@H](OC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 44595711 | 144099 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752627 | 144099 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 53322810 | 65246 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683075 | 65246 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 11409228 | 81309 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029412 | 81309 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 70689914 | 81327 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
| CHEMBL2029571 | 81327 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 552 | 6 | 2 | 9 | 3.0 | N#Cc1ccnc(N2CCC(C(=O)N3CC[C@H](N[C@H]4CC[C@@](O)(c5ccc(-c6ncccn6)cn5)CC4)C3)CC2)c1 | 10.1021/ml200199c | ||
| 44453440 | 104464 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271288 | 104464 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 448 | 7 | 3 | 4 | 3.0 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10142792 | 100516 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247245 | 100516 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 71768689 | 117888 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263269 | 117888 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 53319664 | 65451 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684700 | 65451 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 23630215 | 69318 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782376 | 69318 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 53321482 | 65235 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683064 | 65235 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53318314 | 65445 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 445 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684692 | 65445 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 445 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 53323654 | 65450 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 6 | 1 | 5 | 2.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684699 | 65450 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 6 | 1 | 5 | 2.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 72947191 | 112037 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115275 | 112037 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 49763574 | 72218 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829636 | 72218 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 477 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](F)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44442532 | 100260 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246213 | 100260 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442594 | 100548 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247456 | 100548 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCc3ccccc3)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 10205937 | 100738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248419 | 100738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 10300282 | 161556 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 2.3 | CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400158 | 161556 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 494 | 10 | 3 | 5 | 2.3 | CON(C)C(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22310954 | 30850 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133839 | 30850 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 71518897 | 93164 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313782 | 93164 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 44442571 | 161559 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.6 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400160 | 161559 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 508 | 10 | 4 | 5 | 2.6 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11843946 | 146323 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 7 | 1 | 2 | 6.1 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL379624 | 146323 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 7 | 1 | 2 | 6.1 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 11844079 | 148255 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 580 | 9 | 1 | 2 | 7.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL384368 | 148255 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 580 | 9 | 1 | 2 | 7.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 23655877 | 176262 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 4.7 | O=C(O)C(C1CCN(C(=O)Nc2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL443058 | 176262 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 4.7 | O=C(O)C(C1CCN(C(=O)Nc2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 44395113 | 72891 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL183966 | 72891 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 546 | 8 | 1 | 5 | 5.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395058 | 73107 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 385 | 7 | 0 | 3 | 4.8 | c1ccc(C(CCN2CCCN(Cc3ccncc3)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL185032 | 73107 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 385 | 7 | 0 | 3 | 4.8 | c1ccc(C(CCN2CCCN(Cc3ccncc3)CC2)c2ccccc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 18426192 | 72780 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.1 | O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL183681 | 72780 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.1 | O=C(CNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44395093 | 73900 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 4.1 | O=C(CCCC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL187476 | 73900 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 384 | 8 | 1 | 3 | 4.1 | O=C(CCCC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 176 | 7186 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 7186 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 7186 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 7186 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 7186 | 66 | None | -3 | 31 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 44425322 | 159980 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397717 | 159980 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 89823655 | 133098 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 | nan | ||
| CHEMBL3650368 | 133098 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C)C1 | nan | ||
| 44444096 | 100765 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccccc1C1CCN(CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248617 | 100765 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccccc1C1CCN(CC2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44570713 | 186738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 8 | 6 | 6 | 2.5 | CNC(=O)NC1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL474665 | 186738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 8 | 6 | 6 | 2.5 | CNC(=O)NC1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 46830335 | 14987 | 8 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092238 | 14987 | 8 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 122181150 | 128616 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589845 | 128616 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 608 | 7 | 1 | 3 | 7.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| 49863199 | 21981 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 528 | 9 | 1 | 4 | 7.1 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210667 | 21981 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 528 | 9 | 1 | 4 | 7.1 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44439158 | 153605 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL392493 | 153605 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 542 | 10 | 1 | 4 | 7.5 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccncc1 | 10.1016/j.bmcl.2006.10.060 | ||
| 46884818 | 14643 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089881 | 14643 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 22310877 | 26315 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL129958 | 26315 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1cccc(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 42632811 | 100248 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246104 | 100248 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 127027628 | 144250 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(Cl)cc(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753826 | 144250 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(Cl)cc(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 44453373 | 104587 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271935 | 104587 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44454793 | 161871 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
| CHEMBL401890 | 161871 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
| 23656261 | 95848 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 6 | 2 | 3 | 5.1 | Cc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
| CHEMBL236510 | 95848 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 6 | 2 | 3 | 5.1 | Cc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
| 53318855 | 65254 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683083 | 65254 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | COCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44453409 | 102214 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257065 | 102214 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453441 | 104465 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271289 | 104465 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 498 | 6 | 3 | 4 | 3.2 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 72946982 | 112006 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115103 | 112006 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 46842086 | 14751 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1090548 | 14751 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1cccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44580424 | 194805 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 8 | 4 | 5 | 4.0 | CSc1ccc(CNC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497576 | 194805 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 8 | 4 | 5 | 4.0 | CSc1ccc(CNC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 11502188 | 81976 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036752 | 81976 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10184007 | 165840 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 4.6 | Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL409712 | 165840 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 475 | 7 | 3 | 3 | 4.6 | Cc1cc(C)c(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 22310971 | 27258 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2c(C(F)(F)F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130724 | 27258 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2c(C(F)(F)F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 22143196 | 190766 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL481790 | 190766 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 56671923 | 72513 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834631 | 72513 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 3 | 4 | 4.5 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54755079 | 72515 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834633 | 72515 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 528 | 8 | 4 | 5 | 3.5 | NC(=O)Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cc1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54754968 | 72516 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834634 | 72516 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 502 | 7 | 3 | 6 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 57400452 | 77284 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946832 | 77284 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 57393347 | 77114 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 10 | 4 | 6 | 3.4 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944777 | 77114 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 623 | 10 | 4 | 6 | 3.4 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44416138 | 145652 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL378195 | 145652 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 9850318 | 102020 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL256154 | 102020 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 53324942 | 65452 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684701 | 65452 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 12093170 | 7659 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
| 9431 | 7659 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4519152 | 7659 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 53326225 | 65444 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684691 | 65444 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 431 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44583283 | 195065 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL500175 | 195065 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 714 | 11 | 3 | 8 | 6.0 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 22143305 | 190391 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480228 | 190391 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 9 | 3 | 5 | 3.2 | COc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 12093170 | 7659 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
| 9431 | 7659 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4519152 | 7659 | 31 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.0c01137 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 53324943 | 65458 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 1 | 4 | 3.3 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684707 | 65458 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 1 | 4 | 3.3 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| 57343818 | 137407 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 3 | 3 | 5.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 | nan | ||
| CHEMBL3681876 | 137407 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 7 | 3 | 3 | 5.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCC3)CC1 | nan | ||
| 86767127 | 136188 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 483 | 4 | 1 | 7 | 1.8 | COC1COCCC1NC1CC2OC(=O)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671260 | 136188 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 483 | 4 | 1 | 7 | 1.8 | COC1COCCC1NC1CC2OC(=O)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 56671924 | 72521 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 4.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C4CCCCC4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834639 | 72521 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 6 | 2 | 5 | 4.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C4CCCCC4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44441358 | 156625 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL394897 | 156625 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 427 | 5 | 1 | 3 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Cl)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 52942863 | 26021 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290186 | 26021 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)C2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| 44442581 | 100323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 9 | 5 | 5 | 2.5 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246410 | 100323 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 507 | 9 | 5 | 5 | 2.5 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1N | 10.1016/j.bmcl.2007.07.028 | ||
| 44442555 | 100501 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 11 | 4 | 4 | 3.6 | CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247203 | 100501 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 11 | 4 | 4 | 3.6 | CCC(C)(C)NC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442554 | 100742 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 11 | 4 | 4 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248423 | 100742 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 506 | 11 | 4 | 4 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11844595 | 143144 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| CHEMBL373491 | 143144 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| 44353395 | 26865 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.0 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130403 | 26865 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.0 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
| 11635092 | 96600 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237753 | 96600 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 69212799 | 84751 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL2096789 | 84751 | 3 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 56677296 | 72194 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829611 | 72194 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 25256791 | 194470 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL495202 | 194470 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 10143025 | 100312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 526 | 10 | 4 | 4 | 4.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246397 | 100312 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 526 | 10 | 4 | 4 | 4.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)Nc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44444008 | 161824 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 9 | 1 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL401637 | 161824 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 478 | 9 | 1 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44395194 | 71541 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 496 | 8 | 1 | 5 | 4.1 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL181918 | 71541 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 496 | 8 | 1 | 5 | 4.1 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 25008679 | 100953 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249607 | 100953 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 24801178 | 163621 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 481 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| CHEMBL407145 | 163621 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 481 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| 44453329 | 162130 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL403281 | 162130 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 431 | 7 | 2 | 3 | 3.5 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 22310903 | 29386 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL132662 | 29386 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 | 10.1016/j.bmcl.2003.10.049 | ||
| 76325121 | 112018 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115115 | 112018 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57344309 | 137431 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 7 | 3 | 4 | 4.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
| CHEMBL3681899 | 137431 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 485 | 7 | 3 | 4 | 4.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3cccnc32)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
| 49863201 | 21983 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 12 | 1 | 4 | 7.2 | CCN(CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210669 | 21983 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 12 | 1 | 4 | 7.2 | CCN(CC)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 11663995 | 153606 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 7.6 | CCN(CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL392494 | 153606 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 550 | 13 | 1 | 4 | 7.6 | CCN(CC)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 11567495 | 81974 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036750 | 81974 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10052388 | 194331 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494541 | 194331 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 22143308 | 194543 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 9 | 5 | 6 | 2.8 | CCSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL495717 | 194543 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 9 | 5 | 6 | 2.8 | CCSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44573609 | 194332 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494542 | 194332 | 1 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1007/s00044-010-9501-4 | ||
| 10256127 | 80588 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018539 | 80588 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(N)cc(C(F)(F)F)c2)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| 44353356 | 124378 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2ccc(-c3ccccc3)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL340072 | 124378 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2ccc(-c3ccccc3)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 11227383 | 84422 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.2 | CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088387 | 84422 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 620 | 11 | 2 | 5 | 6.2 | CC(C)CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 71226374 | 93181 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 3.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314061 | 93181 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 437 | 3 | 1 | 4 | 3.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 44416066 | 86562 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 643 | 8 | 2 | 4 | 5.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)C(F)(F)F | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL211923 | 86562 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 643 | 8 | 2 | 4 | 5.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)NS(=O)(=O)C(F)(F)F | 10.1016/j.bmcl.2006.07.011 | ||
| 22310929 | 175073 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cccc(F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL434059 | 175073 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cccc(F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 71517402 | 93157 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313774 | 93157 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 72946204 | 112029 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 1 | 7 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115267 | 112029 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 524 | 5 | 1 | 7 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3COC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44415904 | 87205 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214641 | 87205 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 11329328 | 81308 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3cccnc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029411 | 81308 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3cccnc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 44425630 | 92802 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230617 | 92802 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44444035 | 101062 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 460 | 9 | 2 | 3 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL250408 | 101062 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 460 | 9 | 2 | 3 | 5.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1CCC(c2ccc(O)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44353617 | 26437 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130065 | 26437 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 57656942 | 81814 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2035000 | 81814 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 22310953 | 30737 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133748 | 30737 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cccc(C(F)(F)F)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44353170 | 28187 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 3 | 1 | 2 | 4.1 | NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL131493 | 28187 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 318 | 3 | 1 | 2 | 4.1 | NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44425650 | 92905 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231143 | 92905 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 89853102 | 117881 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 5 | 1 | 8 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263260 | 117881 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 552 | 5 | 1 | 8 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44415903 | 87925 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215759 | 87925 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 89823502 | 133092 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 | nan | ||
| CHEMBL3650362 | 133092 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2F)C1 | nan | ||
| 56643545 | 137401 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681870 | 137401 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 11192346 | 8805 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 46947816 | 72207 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829624 | 72207 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 56664979 | 72517 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834635 | 72517 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 529 | 6 | 2 | 7 | 4.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 56671925 | 72523 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834640 | 72523 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 7 | 2 | 7 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56678508 | 72575 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834794 | 72575 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44415899 | 86849 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL213058 | 86849 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425641 | 92841 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230832 | 92841 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44413258 | 84533 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 446 | 8 | 1 | 2 | 5.5 | CN(C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL209063 | 84533 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 446 | 8 | 1 | 2 | 5.5 | CN(C)CCC[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44425315 | 93023 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 5.4 | CC(=O)Nc1nc(C(CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231252 | 93023 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 5.4 | CC(=O)Nc1nc(C(CCN2CCCCC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425319 | 93110 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231340 | 93110 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 53318315 | 65447 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 6 | 1 | 4 | 3.4 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684695 | 65447 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 473 | 6 | 1 | 4 | 3.4 | CC(CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| 54584109 | 69321 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782379 | 69321 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10187492 | 154568 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL393267 | 154568 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H](CNCc1ccc(C)cc1C)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 69285531 | 128005 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577935 | 128005 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 10152864 | 194653 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL496432 | 194653 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.2 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44425288 | 92790 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230507 | 92790 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425304 | 150145 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL389773 | 150145 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 53326721 | 65267 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683189 | 65267 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53326901 | 65456 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 2.9 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684705 | 65456 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 449 | 5 | 1 | 4 | 2.9 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 57343820 | 75729 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | nan | ||
| CHEMBL1922816 | 75729 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 518 | 7 | 3 | 3 | 5.2 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 | nan | ||
| 57343819 | 137404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | nan | ||
| CHEMBL3681873 | 137404 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 | nan | ||
| 57344311 | 137433 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681900 | 137433 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 71719764 | 93160 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313777 | 93160 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 57396832 | 77110 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 8 | 2 | 5 | 3.1 | CN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944773 | 77110 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 525 | 8 | 2 | 5 | 3.1 | CN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 53320968 | 65442 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 2.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684689 | 65442 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 403 | 5 | 1 | 4 | 2.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44442553 | 100263 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246221 | 100263 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | CCNC(=O)[C@@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| 44442595 | 173187 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL427705 | 173187 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(NCC(C)C)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44444113 | 100954 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249608 | 100954 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11606411 | 92083 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| CHEMBL226066 | 92083 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm070166b | ||
| 72946384 | 112032 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 5 | 1 | 8 | 2.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115270 | 112032 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 546 | 5 | 1 | 8 | 2.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ncccn3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44442583 | 100325 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246412 | 100325 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1cc(C)c(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| 9890559 | 72902 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 462 | 8 | 0 | 4 | 4.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL184053 | 72902 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 462 | 8 | 0 | 4 | 4.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 11273475 | 84421 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 10 | 2 | 5 | 5.8 | CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088386 | 84421 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 10 | 2 | 5 | 5.8 | CC(C)Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 46884898 | 14489 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1088874 | 14489 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3Cl)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 22310946 | 27527 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130937 | 27527 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2c([N+](=O)[O-])cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 57344310 | 75711 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922794 | 75711 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 15518124 | 145204 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.5 | CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL377432 | 145204 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.5 | CN(CCN1CCCCC1)c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44425649 | 92904 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 54586021 | 69317 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782375 | 69317 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44570779 | 190347 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 9 | 4 | 5 | 4.0 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480036 | 190347 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 550 | 9 | 4 | 5 | 4.0 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 57344299 | 75731 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | nan | ||
| CHEMBL1922818 | 75731 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1 | nan | ||
| 11467577 | 84417 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 5.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088382 | 84417 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 606 | 8 | 2 | 5 | 5.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 44453536 | 104705 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272542 | 104705 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 22310899 | 29464 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL132725 | 29464 | 35 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 285 | 3 | 1 | 2 | 4.0 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
| 89823629 | 133099 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650369 | 133099 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C)cc(C(F)(F)F)c2)C1 | nan | ||
| 60148505 | 117887 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263268 | 117887 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 56643545 | 137401 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681870 | 137401 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 86767126 | 136187 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1NC1CC2OC(c3ccccc3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671259 | 136187 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1NC1CC2OC(c3ccccc3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 44415880 | 176118 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL441856 | 176118 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 57396998 | 77789 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951773 | 77789 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml200030q | ||
| 44425320 | 92910 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231149 | 92910 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 44453366 | 165083 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL408908 | 165083 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 451 | 6 | 5 | 6 | 1.7 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 71768794 | 117880 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263259 | 117880 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 545 | 5 | 1 | 6 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44425286 | 160026 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397750 | 160026 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 670 | 9 | 2 | 6 | 8.2 | CC(C)(C)OC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44593564 | 194011 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492564 | 194011 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44425258 | 175686 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 9 | 2 | 6 | 6.1 | CC(=O)Nc1nc(C(CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL438514 | 175686 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 627 | 9 | 2 | 6 | 6.1 | CC(=O)Nc1nc(C(CCN2CCN(c3ccccc3C)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 53322299 | 65448 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684696 | 65448 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 459 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 53326226 | 65460 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684709 | 65460 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 56675301 | 72530 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 3 | 5 | 3.1 | CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834647 | 72530 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 439 | 7 | 3 | 5 | 3.1 | CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44444110 | 161620 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL400483 | 161620 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4ccc(Cl)c(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11844469 | 85177 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
| CHEMBL211092 | 85177 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
| 89823497 | 133080 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| CHEMBL3650350 | 133080 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| 56676473 | 72582 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccn4C)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834850 | 72582 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccn4C)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44444106 | 100848 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.5 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249010 | 100848 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.5 | O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44395144 | 73767 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NCC2CCCN2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL186878 | 73767 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NCC2CCCN2Cc2ccc(Cl)cc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44593563 | 199889 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL522688 | 199889 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 46884856 | 15116 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092921 | 15116 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 89823512 | 133132 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650400 | 133132 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
| 10414966 | 161897 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ncccn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL402010 | 161897 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ncccn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 89823482 | 133083 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
| CHEMBL3650353 | 133083 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
| 70696469 | 81989 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 4 | 2.7 | COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036765 | 81989 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 372 | 5 | 1 | 4 | 2.7 | COc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44425649 | 92904 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 89823499 | 133086 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 | nan | ||
| CHEMBL3650356 | 133086 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C)n2)C1 | nan | ||
| 44413230 | 145875 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL378658 | 145875 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 447 | 8 | 2 | 3 | 4.2 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 89823444 | 133104 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650374 | 133104 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
| 44353334 | 124221 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccccc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL339842 | 124221 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1ccccc1Cl | 10.1016/j.bmcl.2003.10.049 | ||
| 57343917 | 137408 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 3 | 4 | 4.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 | nan | ||
| CHEMBL3681877 | 137408 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 526 | 7 | 3 | 4 | 4.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 | nan | ||
| 54769305 | 93355 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 4.6 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315920 | 93355 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 483 | 6 | 2 | 5 | 4.6 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 68003962 | 93356 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315921 | 93356 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 49764446 | 72214 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829631 | 72214 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 3 | 5 | 3.1 | CN(C)c1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54755560 | 72553 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834721 | 72553 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 8 | 2 | 7 | 3.4 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44415922 | 148461 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL385540 | 148461 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 24794624 | 186395 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4742683 | 186395 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 162657824 | 187905 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4760566 | 187905 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 3 | 4 | 2.9 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 53326701 | 65239 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683068 | 65239 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44425633 | 92816 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230721 | 92816 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425648 | 175483 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL436796 | 175483 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44442590 | 100547 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247455 | 100547 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 606 | 11 | 6 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11553489 | 127999 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 11 | 4 | 4 | 2.3 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577929 | 127999 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 417 | 11 | 4 | 4 | 2.3 | CCC[C@H](O)[C@H](CNCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 11497533 | 95964 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL236722 | 95964 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 11541149 | 153089 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 3 | 4 | 4.9 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL392097 | 153089 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 6 | 3 | 4 | 4.9 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(O)cc23)CC1 | 10.1021/jm070902b | ||
| 53323664 | 65465 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684714 | 65465 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 5 | 1 | 4 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 54583187 | 69348 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782580 | 69348 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 484 | 5 | 2 | 6 | 2.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2O)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44425639 | 92840 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230831 | 92840 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 54580190 | 69345 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782577 | 69345 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54582215 | 69334 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782566 | 69334 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 54581190 | 69336 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782568 | 69336 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 57344216 | 137409 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 | nan | ||
| CHEMBL3681878 | 137409 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 | nan | ||
| 71517241 | 93154 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313771 | 93154 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 127025460 | 144107 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 5.1 | C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752690 | 144107 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 437 | 4 | 1 | 3 | 5.1 | C[C@H]1CC=C(C(=O)NS(=O)(=O)c2ccccc2)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 10165716 | 100329 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246417 | 100329 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 538 | 10 | 4 | 5 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(SC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442559 | 100506 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247208 | 100506 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442547 | 161671 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 506 | 11 | 3 | 4 | 3.2 | CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400793 | 161671 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 506 | 11 | 3 | 4 | 3.2 | CCNC(=O)[C@H](CCN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 9873546 | 84812 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL209899 | 84812 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 22310976 | 123825 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL339099 | 123825 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2c(Cl)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 71519050 | 93167 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313785 | 93167 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 444 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 44395048 | 72935 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 495 | 8 | 3 | 6 | 2.9 | NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL184256 | 72935 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 495 | 8 | 3 | 6 | 2.9 | NS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395062 | 73472 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL185517 | 73472 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395028 | 73729 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL186689 | 73729 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(Cl)cc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395061 | 73174 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL185180 | 73174 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 9825735 | 100539 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247405 | 100539 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44444032 | 100883 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249183 | 100883 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 474 | 10 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11844467 | 84686 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.4 | CC(C[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 | 10.1021/jm060439n | ||
| CHEMBL209423 | 84686 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.4 | CC(C[C@H](CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)N1CCC(c2ccccc2)CC1 | 10.1021/jm060439n | ||
| 44442540 | 100261 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246218 | 100261 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 465 | 9 | 3 | 5 | 2.5 | COC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| 46886537 | 15120 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092940 | 15120 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 1 | 5 | 3.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3ccccc3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 76321527 | 112031 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 5 | 1 | 8 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115269 | 112031 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 551 | 5 | 1 | 8 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3nccs3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 89823389 | 133118 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650388 | 133118 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | nan | ||
| 71518407 | 93177 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 4.9 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314057 | 93177 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 4.9 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 10129107 | 195208 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 585 | 9 | 3 | 6 | 3.4 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502248 | 195208 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 585 | 9 | 3 | 6 | 3.4 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44453534 | 104657 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272331 | 104657 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 451 | 7 | 3 | 5 | 2.5 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 89823621 | 133097 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
| CHEMBL3650367 | 133097 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
| 22143349 | 190856 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.6 | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL482387 | 190856 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.6 | CSc1ccc(C(=O)NC2CCCCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44573411 | 200044 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL523857 | 200044 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 44453620 | 102311 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257511 | 102311 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 450 | 7 | 2 | 5 | 2.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44573411 | 200044 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL523857 | 200044 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 464 | 6 | 2 | 2 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 70681271 | 80583 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 13 | 5 | 5 | 3.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018533 | 80583 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 550 | 13 | 5 | 5 | 3.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 69286635 | 128009 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577939 | 128009 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 72663455 | 136179 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671251 | 136179 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 86767122 | 136183 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1NC1CC2OC(C3CC3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671255 | 136183 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1NC1CC2OC(C3CC3)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 71519226 | 93151 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 5 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313768 | 93151 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 5 | 1 | 5 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 11647276 | 81982 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036758 | 81982 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 412 | 4 | 1 | 3 | 4.3 | CC(C)N1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46240584 | 90355 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204262 | 90355 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 532 | 6 | 3 | 6 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nc4ccccc4s3)CC2)C1 | 10.1021/ml300260s | ||
| 56671795 | 72573 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834792 | 72573 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 478 | 6 | 3 | 6 | 4.0 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54754967 | 84605 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL2092884 | 84605 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 7 | 4 | 7 | 3.0 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 22143241 | 190029 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL479642 | 190029 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 4 | 3.8 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44425634 | 148796 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL387587 | 148796 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425277 | 92734 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 674 | 10 | 2 | 5 | 8.1 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230165 | 92734 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 674 | 10 | 2 | 5 | 8.1 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44442592 | 160462 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 5 | 5 | 3.3 | CNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL398134 | 160462 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 5 | 5 | 3.3 | CNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 71768688 | 117876 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263255 | 117876 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 71768725 | 117879 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263258 | 117879 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44571257 | 197873 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL518772 | 197873 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 518 | 9 | 3 | 4 | 4.3 | CC(C)c1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 71745103 | 133140 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650408 | 133140 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 11512375 | 161448 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
| CHEMBL399617 | 161448 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
| 10227655 | 80488 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 480 | 9 | 5 | 5 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018377 | 80488 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 480 | 9 | 5 | 5 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C(C)(C)O)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44415958 | 87274 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214747 | 87274 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44442575 | 100319 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 9 | 4 | 4 | 3.7 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246405 | 100319 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 570 | 9 | 4 | 4 | 3.7 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 25010616 | 100926 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249413 | 100926 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 25007996 | 100928 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249415 | 100928 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11844209 | 87858 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 572 | 8 | 1 | 3 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccsc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL215515 | 87858 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 572 | 8 | 1 | 3 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccsc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 127028590 | 144208 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.2 | C[C@@]1(c2cccc(C(F)(F)F)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753478 | 144208 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.2 | C[C@@]1(c2cccc(C(F)(F)F)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| 89823481 | 133085 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
| CHEMBL3650355 | 133085 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
| 89823459 | 133112 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650382 | 133112 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)cc2C(F)(F)F)C1 | nan | ||
| 89823431 | 133113 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 | nan | ||
| CHEMBL3650383 | 133113 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2C)C1 | nan | ||
| 89823495 | 133119 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
| CHEMBL3650389 | 133119 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
| 44395256 | 72243 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.2 | Cc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL183001 | 72243 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 492 | 8 | 1 | 5 | 4.2 | Cc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44593554 | 195467 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL504065 | 195467 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 90656019 | 117885 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 546 | 5 | 1 | 7 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263266 | 117885 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 546 | 5 | 1 | 7 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 22310943 | 31286 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL134230 | 31286 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2ccc([N+](=O)[O-])cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 10348168 | 102236 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 576 | 6 | 1 | 4 | 6.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(Cl)nn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL257159 | 102236 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 576 | 6 | 1 | 4 | 6.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(Cl)nn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44425317 | 175637 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL438128 | 175637 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 44453330 | 102277 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257316 | 102277 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 483 | 6 | 2 | 3 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Br)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 22143225 | 190344 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CCC(N)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480035 | 190344 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CCC(N)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 11620726 | 97415 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL238937 | 97415 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 11620726 | 97415 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238937 | 97415 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 127025448 | 144219 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753563 | 144219 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 54768835 | 93368 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315933 | 93368 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cccnc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| 11192346 | 8805 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 57656657 | 81984 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036760 | 81984 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 57656641 | 81997 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036775 | 81997 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 414 | 4 | 1 | 4 | 3.3 | CC(C)N1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 53322810 | 65246 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683075 | 65246 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53326721 | 65267 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683189 | 65267 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 10162844 | 80489 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 10 | 5 | 5 | 2.7 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018378 | 80489 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 480 | 10 | 5 | 5 | 2.7 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 52944966 | 25812 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1288324 | 25812 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
| 44425316 | 149137 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388869 | 149137 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 53320350 | 65449 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684697 | 65449 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44425646 | 92875 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231038 | 92875 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425653 | 93004 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231246 | 93004 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2007.07.028 | ||
| 53326645 | 65459 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684708 | 65459 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 477 | 6 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CCC(F)(F)F)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 53324944 | 65461 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684710 | 65461 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 457 | 5 | 1 | 4 | 3.0 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44425631 | 148853 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL388007 | 148853 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 564 | 5 | 1 | 2 | 7.6 | CCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 89823661 | 133122 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650391 | 133122 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| 54583185 | 69338 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782570 | 69338 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 89823581 | 133139 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650407 | 133139 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 72663455 | 136179 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671251 | 136179 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 71518574 | 93166 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313784 | 93166 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 11632418 | 81972 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036748 | 81972 | 1 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46241720 | 90335 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 3 | 6 | 2.3 | N#Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204242 | 90335 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 501 | 6 | 3 | 6 | 2.3 | N#Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 135981707 | 72564 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834783 | 72564 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 556 | 8 | 2 | 6 | 4.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNC3=NC(Cc4ccccc4)c4ccc(C(F)(F)F)cc43)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44441359 | 100456 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.2 | Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246933 | 100456 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 407 | 5 | 1 | 3 | 4.2 | Cc1ccc2c(c1)OCC(C(=O)Nc1ccc(C[N+](C)(C)C3CCOCC3)cc1)=C2 | 10.1016/j.bmcl.2007.01.115 | ||
| 10206776 | 161703 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL401009 | 161703 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 10 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22310896 | 124229 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL339851 | 124229 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 5.7 | O=C(O)c1cc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 12093170 | 7659 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | ||
| 9431 | 7659 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | ||
| CHEMBL4519152 | 7659 | 31 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.7b01844 | ||
| 69315675 | 80586 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018537 | 80586 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CN(Cc1ccc(C)cc1C)C(C)C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 44442570 | 100511 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 556 | 9 | 4 | 4 | 3.4 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247214 | 100511 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 556 | 9 | 4 | 4 | 3.4 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(Br)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 261407 | 123342 | 59 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 251 | 3 | 1 | 2 | 3.4 | O=C(O)c1cc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL336399 | 123342 | 59 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 251 | 3 | 1 | 2 | 3.4 | O=C(O)c1cc2ccccc2n1Cc1ccccc1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44395104 | 73473 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL185518 | 73473 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 18426157 | 130679 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL362780 | 130679 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | Cc1cccc(C(=O)NCC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 57656887 | 81987 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036763 | 81987 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 3.4 | O=C(Nc1cccc(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10239671 | 194690 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL496632 | 194690 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 543 | 8 | 3 | 6 | 3.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44416274 | 165333 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL409162 | 165333 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 46842085 | 15009 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 4 | 4.5 | CCCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092294 | 15009 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 572 | 10 | 2 | 4 | 4.5 | CCCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44573450 | 194302 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494399 | 194302 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 46842381 | 15008 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 4.1 | CCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092293 | 15008 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 4.1 | CCc1ccc(C(=O)N2CCC(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| 53324139 | 65233 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683062 | 65233 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 10346048 | 85009 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL210606 | 85009 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44573450 | 194302 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494399 | 194302 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 492 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 57344217 | 137410 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 7 | 3 | 5 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1 | nan | ||
| CHEMBL3681879 | 137410 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 564 | 7 | 3 | 5 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OC(F)(F)O3)CC1 | nan | ||
| 72946775 | 112012 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115109 | 112012 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 46241717 | 90342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204249 | 90342 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 8 | 3 | 6 | 2.9 | CCOc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 46240484 | 90354 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204261 | 90354 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.8 | Cc1cnc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 56662695 | 72579 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834798 | 72579 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 520 | 7 | 2 | 7 | 4.6 | CCc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| 11669935 | 65228 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683055 | 65228 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 467 | 5 | 1 | 4 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44425276 | 158105 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 654 | 9 | 2 | 5 | 7.8 | CC(C)(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL396101 | 158105 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 654 | 9 | 2 | 5 | 7.8 | CC(C)(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 70689909 | 81311 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3nccs3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029414 | 81311 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 496 | 6 | 3 | 6 | 2.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3nccs3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 57402219 | 77783 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| CHEMBL1951766 | 77783 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 3.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1021/ml200030q | ||
| 53321503 | 65266 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683188 | 65266 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54585107 | 69335 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782567 | 69335 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 72946205 | 112019 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115116 | 112019 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44453327 | 101870 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL255408 | 101870 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 70691783 | 80476 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018364 | 80476 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 57402124 | 77298 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.8 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1947041 | 77298 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 511 | 8 | 3 | 5 | 2.8 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 10346048 | 85009 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL210606 | 85009 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44441356 | 103479 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 4.6 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL264108 | 103479 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 5 | 1 | 3 | 4.6 | C[N+](C)(Cc1ccc(NC(=O)C2=Cc3ccc(Br)cc3OC2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44453327 | 101870 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL255408 | 101870 | 25 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44444111 | 100892 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249209 | 100892 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 90656022 | 117895 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2cccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263276 | 117895 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 510 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2cccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 10346048 | 85009 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL210606 | 85009 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 505 | 8 | 2 | 3 | 5.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 11670910 | 95397 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL235657 | 95397 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 71519225 | 93150 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 423 | 4 | 1 | 5 | 2.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C#N)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313767 | 93150 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 423 | 4 | 1 | 5 | 2.8 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C#N)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 49763568 | 72190 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829606 | 72190 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44444007 | 100774 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 1 | 2 | 5.7 | O=C(/C=C/c1ccc(F)cc1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248641 | 100774 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 428 | 9 | 1 | 2 | 5.7 | O=C(/C=C/c1ccc(F)cc1)NCCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11670910 | 95397 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL235657 | 95397 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 6 | 2 | 3 | 4.6 | NC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 122181146 | 128612 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589841 | 128612 | 0 | None | - | 0 | Mouse | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 544 | 7 | 1 | 4 | 5.7 | COc1ccc2c(c1)CCOC21CCN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 44439159 | 98756 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 522 | 11 | 1 | 4 | 6.8 | CN(C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241501 | 98756 | 1 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 522 | 11 | 1 | 4 | 6.8 | CN(C)CCCCNC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 49863200 | 21982 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 508 | 10 | 1 | 4 | 6.4 | CN(C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210668 | 21982 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 508 | 10 | 1 | 4 | 6.4 | CN(C)CCCCNC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 25268803 | 158657 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 2 | 4.2 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL396571 | 158657 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 383 | 6 | 1 | 2 | 4.2 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL11359 | 16552 | 0 | None | -2 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 89823461 | 133095 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
| CHEMBL3650365 | 133095 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
| 44425247 | 173074 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 6 | 5.7 | Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL427110 | 173074 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 6 | 5.7 | Cc1ccccc1N1CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(N)n2)CC1 | 10.1016/j.bmcl.2006.10.059 | ||
| 52943756 | 26062 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290412 | 26062 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| 44425320 | 92910 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231149 | 92910 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 713 | 9 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3cccnc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 56643545 | 137401 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681870 | 137401 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 44573537 | 200012 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2Cc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL523696 | 200012 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2Cc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44573538 | 200045 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL523861 | 200045 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1007/s00044-010-9501-4 | ||
| 57392725 | 74641 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 9 | 2 | 3 | 5.6 | O=C(NCCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910162 | 74641 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 9 | 2 | 3 | 5.6 | O=C(NCCCCN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.013 | ||
| 46885213 | 15232 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093802 | 15232 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 68004011 | 93362 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315927 | 93362 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2012.12.017 | ||
| 54769752 | 93382 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2316210 | 93382 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nncc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 57344296 | 75726 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
| CHEMBL1922813 | 75726 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
| 10278257 | 80484 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018373 | 80484 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10207590 | 80485 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018374 | 80485 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 71452241 | 90343 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204250 | 90343 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 574 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OCC(F)(F)F)nc3)CC2)C1 | 10.1021/ml300260s | ||
| 56657929 | 72566 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834785 | 72566 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 485 | 6 | 2 | 5 | 4.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 56659197 | 72578 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834797 | 72578 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 2 | 7 | 4.3 | Cc1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425637 | 92762 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230405 | 92762 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425317 | 175637 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL438128 | 175637 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 726 | 10 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 508869 | 102215 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257066 | 102215 | 1 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 446 | 7 | 3 | 4 | 3.1 | C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44442587 | 100584 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247608 | 100584 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 611 | 12 | 5 | 5 | 4.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCc2ccccc2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442593 | 153978 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL392814 | 153978 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 549 | 11 | 5 | 5 | 3.7 | CCNc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 10278257 | 80484 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1021/ml500505q | ||
| CHEMBL2018373 | 80484 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CC(C)C)c(C)c1 | 10.1021/ml500505q | ||
| 53322812 | 65252 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 2.3 | COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683081 | 65252 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 500 | 7 | 1 | 7 | 2.3 | COC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54585109 | 69347 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782579 | 69347 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 5 | 1 | 5 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 89823606 | 133103 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| CHEMBL3650373 | 133103 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| 72946982 | 112006 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115103 | 112006 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.8 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57344218 | 75723 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
| CHEMBL1922806 | 75723 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 484 | 7 | 3 | 3 | 4.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 | nan | ||
| 46241719 | 90362 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 3 | 5 | 2.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(F)nc3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204270 | 90362 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 494 | 6 | 3 | 5 | 2.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(F)nc3)CC2)C1 | 10.1021/ml300260s | ||
| 46241829 | 72188 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829603 | 72188 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 10165042 | 100328 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246416 | 100328 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 3.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(OC(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442556 | 100502 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 11 | 5 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247204 | 100502 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 522 | 11 | 5 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)CO)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 90656026 | 117898 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 7 | 1 | 7 | 2.4 | COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263281 | 117898 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 527 | 7 | 1 | 7 | 2.4 | COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44444001 | 101287 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 450 | 8 | 1 | 2 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL251621 | 101287 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 450 | 8 | 1 | 2 | 5.5 | O=C(/C=C/c1cc(F)c(F)c(F)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 23441058 | 73045 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 429 | 8 | 0 | 4 | 5.3 | O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL184688 | 73045 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 429 | 8 | 0 | 4 | 5.3 | O=[N+]([O-])c1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395160 | 130586 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 398 | 9 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL362340 | 130586 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 398 | 9 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44415973 | 87830 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215394 | 87830 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425654 | 93005 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231247 | 93005 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44573409 | 194173 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL493575 | 194173 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44573409 | 194173 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL493575 | 194173 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 450 | 6 | 2 | 2 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 89823470 | 133087 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
| CHEMBL3650357 | 133087 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
| 10153373 | 179375 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 13 | 2 | 6 | 5.4 | CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL448989 | 179375 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 627 | 13 | 2 | 6 | 5.4 | CCCN(CCC)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| 86767120 | 136181 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671253 | 136181 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
| 44448915 | 101847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 5.0 | CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255302 | 101847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 7 | 3 | 4 | 5.0 | CC(=O)Nc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44449054 | 161970 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 2 | 3 | 5.6 | O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL402442 | 161970 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 553 | 6 | 2 | 3 | 5.6 | O=C(/C=C/c1ccc(F)c(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 71768722 | 117889 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263270 | 117889 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 10239991 | 195226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502516 | 195226 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 585 | 10 | 3 | 6 | 4.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NC(C)C)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 10120907 | 80499 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018388 | 80499 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10007642 | 25881 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289203 | 25881 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 89844945 | 116586 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 1 | 6 | 2.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233179 | 116586 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 518 | 7 | 1 | 6 | 2.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)n3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 68767078 | 128014 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577944 | 128014 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
| 68768752 | 128016 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 | 10.1021/ml500505q | ||
| CHEMBL3577947 | 128016 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 463 | 5 | 1 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](C)C1 | 10.1021/ml500505q | ||
| 11756884 | 25861 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289083 | 25861 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 533 | 8 | 3 | 5 | 3.5 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 10007642 | 25881 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289203 | 25881 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 547 | 8 | 3 | 5 | 3.8 | CCO[C@H]1CN([C@H]2CC[C@@](O)(c3ccc(C)cc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 9986630 | 175578 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 641 | 9 | 2 | 5 | 6.9 | CN(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL437552 | 175578 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 641 | 9 | 2 | 5 | 6.9 | CN(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 11627639 | 101708 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL254355 | 101708 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC([C@@H](CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 57396999 | 77793 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| CHEMBL1951777 | 77793 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| 22143258 | 190658 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481010 | 190658 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 9 | 3 | 5 | 3.9 | CSc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44593555 | 195563 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL505722 | 195563 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 642 | 10 | 4 | 6 | 4.9 | CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 70691785 | 80502 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018391 | 80502 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 606 | 12 | 6 | 6 | 2.9 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCNCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 69285794 | 128007 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577937 | 128007 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 122178128 | 128010 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
| CHEMBL3577940 | 128010 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 503 | 9 | 2 | 3 | 5.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CCc2ccccc2)C1 | 10.1021/ml500505q | ||
| 11555827 | 153895 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1021/jm070902b | ||
| CHEMBL392748 | 153895 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 5.2 | COc1cccc2c(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c12 | 10.1021/jm070902b | ||
| 42606792 | 116585 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233178 | 116585 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 7 | 1 | 5 | 3.0 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 57395218 | 77785 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951769 | 77785 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnc3)CC2)C1 | 10.1021/ml200030q | ||
| 44425279 | 148795 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL387583 | 148795 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 11527661 | 8802 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 9045 | 8802 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 69285794 | 128007 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577937 | 128007 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 455 | 9 | 2 | 3 | 4.6 | CCCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 68767078 | 128014 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577944 | 128014 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 457 | 7 | 1 | 5 | 5.0 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(Cl)cc23)C1=O | 10.1021/ml500505q | ||
| 44583282 | 179474 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL450231 | 179474 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 656 | 9 | 3 | 7 | 4.2 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCOCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 11597 | 7461 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 23725180 | 7461 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4781426 | 7461 | 5 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 506 | 5 | 3 | 6 | 3.5 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)NC(C)(C)C | 10.1021/acsmedchemlett.1c00082 | ||
| 11421840 | 84413 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088379 | 84413 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 578 | 9 | 2 | 5 | 5.2 | CCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 50992246 | 65245 | 2 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 65245 | 2 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 50992246 | 65245 | 2 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 65245 | 2 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 24794656 | 187655 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4757452 | 187655 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 52941377 | 26101 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290637 | 26101 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 9 | 2 | 4 | 4.8 | CCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 53326386 | 64947 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1681819 | 64947 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 6 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44573608 | 194330 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494540 | 194330 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| 54771978 | 93381 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2316209 | 93381 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1nccc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 44595711 | 144099 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752627 | 144099 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 24794624 | 186395 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4742683 | 186395 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 6 | 3 | 6 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 57400160 | 137417 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681885 | 137417 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 7 | 3 | 3 | 5.6 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 86767125 | 136186 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 6 | 1 | 6 | 3.5 | CCCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
| CHEMBL3671258 | 136186 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 511 | 6 | 1 | 6 | 3.5 | CCCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
| 44449030 | 101921 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 6.1 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255680 | 101921 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 6.1 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44449174 | 102231 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 1 | 4 | 5.6 | CC(=O)OCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257143 | 102231 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 553 | 7 | 1 | 4 | 5.6 | CC(=O)OCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44448948 | 162025 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 4.9 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL402749 | 162025 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 569 | 7 | 2 | 5 | 4.9 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 71517242 | 93155 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313772 | 93155 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 11226430 | 80514 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 14 | 5 | 5 | 4.9 | CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018403 | 80514 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 14 | 5 | 5 | 4.9 | CCCNc1cc(NC(=O)CC(=O)N[C@@H](CNCc2ccc(C)cc2C)[C@@H](O)CCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 49764322 | 72215 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829632 | 72215 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 505 | 7 | 3 | 5 | 3.1 | COc1ccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| 11502371 | 159907 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL397647 | 159907 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44425636 | 92723 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230078 | 92723 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425629 | 92801 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230616 | 92801 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 6.8 | C[C@H]1CN([C@@H]2CC[C@H](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425241 | 92803 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230624 | 92803 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 570 | 8 | 2 | 5 | 6.4 | Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44453407 | 102212 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257063 | 102212 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 450 | 7 | 3 | 5 | 2.4 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453442 | 104466 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271290 | 104466 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 434 | 6 | 3 | 4 | 2.7 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44442599 | 100424 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246804 | 100424 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 585 | 9 | 5 | 5 | 3.3 | Cc1cc(Br)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1N)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 69285465 | 128008 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577938 | 128008 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 11699541 | 153091 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL392098 | 153091 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(F)ccc23)CC1 | 10.1021/jm070902b | ||
| 11605867 | 173545 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.0 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL428378 | 173545 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 507 | 6 | 2 | 3 | 5.0 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 54582217 | 69344 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782576 | 69344 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 71517576 | 93144 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313761 | 93144 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 71518898 | 93165 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 4 | 1 | 5 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313783 | 93165 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 4 | 1 | 5 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 56675302 | 72531 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 8 | 3 | 5 | 3.3 | C=CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834648 | 72531 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 8 | 3 | 5 | 3.3 | C=CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56669631 | 72583 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834851 | 72583 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 489 | 6 | 2 | 7 | 3.3 | Cn1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2011.08.074 | ||
| 25268081 | 100294 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 2 | 5.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246313 | 100294 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 2 | 5.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCSCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 9934977 | 173134 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL427396 | 173134 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 482 | 7 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44442560 | 161705 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 11 | 4 | 4 | 2.6 | C=CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL401011 | 161705 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 11 | 4 | 4 | 2.6 | C=CCNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11548199 | 96697 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237967 | 96697 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 11548199 | 96697 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237967 | 96697 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 11548199 | 96697 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237967 | 96697 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 42632863 | 100131 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245497 | 100131 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44444104 | 100846 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 5.8 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249008 | 100846 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 458 | 5 | 0 | 2 | 5.8 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 10957890 | 29866 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.9 | N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133063 | 29866 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 310 | 3 | 1 | 3 | 3.9 | N#Cc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44415992 | 87384 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215093 | 87384 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44453300 | 104211 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270005 | 104211 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 451 | 7 | 2 | 4 | 3.5 | CSc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44441382 | 159837 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL397595 | 159837 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 11706775 | 152546 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL391668 | 152546 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 11706775 | 152546 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL391668 | 152546 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44453562 | 162433 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404837 | 162433 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 431 | 7 | 3 | 6 | 2.0 | Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 56678640 | 72532 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 488 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)N[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834650 | 72532 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 488 | 7 | 4 | 6 | 1.7 | CS(=O)(=O)N[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54768836 | 93371 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | N#Cc1ccccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315936 | 93371 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 508 | 6 | 2 | 6 | 4.5 | N#Cc1ccccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| 72947193 | 112008 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115105 | 112008 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 10585 | 7865 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 57401954 | 75734 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922822 | 75734 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)c(F)c2)CC1 | nan | ||
| 57656871 | 82002 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036780 | 82002 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 413 | 3 | 2 | 4 | 2.0 | CCN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 49764447 | 72196 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829613 | 72196 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54755801 | 72534 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834652 | 72534 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 559 | 8 | 3 | 8 | 3.7 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 24801525 | 104385 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL270906 | 104385 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 526 | 7 | 4 | 5 | 1.9 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 22143104 | 194837 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497780 | 194837 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 483 | 7 | 5 | 5 | 2.3 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CNCCC1NCc1ccc(Cl)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44573488 | 194458 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL495165 | 194458 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 71517575 | 93163 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313780 | 93163 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](OC)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 49764700 | 72212 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 3.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829629 | 72212 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 493 | 6 | 3 | 4 | 3.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 127025461 | 144163 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 2 | 2 | 4.0 | C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753161 | 144163 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 2 | 2 | 4.0 | C[C@@]1(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H](CO)CC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| 11692057 | 152267 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL391460 | 152267 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.7 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 23656585 | 154409 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL393135 | 154409 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 44444009 | 100775 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 424 | 10 | 1 | 3 | 5.0 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248642 | 100775 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 424 | 10 | 1 | 3 | 5.0 | COc1ccc(C2CCN(CCCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 23441036 | 73985 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL187856 | 73985 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 510 | 8 | 3 | 7 | 3.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(O)cc3)c3ccc(O)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 24801180 | 104816 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| CHEMBL273079 | 104816 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| 11577400 | 65229 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 5.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683056 | 65229 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 535 | 5 | 1 | 4 | 5.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 71768899 | 117901 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1ccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263284 | 117901 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1ccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)cc1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44415927 | 87630 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215271 | 87630 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 11364218 | 80579 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018529 | 80579 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1OC | 10.1016/j.bmcl.2012.03.007 | ||
| 24801179 | 163419 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL406925 | 163419 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 10458152 | 84576 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL209267 | 84576 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 4485 | 76154 | 118 | None | -1 | 8 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
| CHEMBL193 | 76154 | 118 | None | -1 | 8 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
| 68003782 | 93358 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315923 | 93358 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 68004010 | 93361 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 7 | 3 | 8 | 4.3 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315926 | 93361 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 548 | 7 | 3 | 8 | 4.3 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
| 71530223 | 93147 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313764 | 93147 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 49764196 | 72216 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829633 | 72216 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 6 | 3 | 6 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44573487 | 199413 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL521697 | 199413 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 53320171 | 65250 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683079 | 65250 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 72948000 | 112001 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115099 | 112001 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 67774351 | 137416 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 3 | 3 | 5.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681884 | 137416 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 7 | 3 | 3 | 5.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 46241827 | 90339 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.8 | COc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C | 10.1021/ml300260s | ||
| CHEMBL2204246 | 90339 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.8 | COc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1C | 10.1021/ml300260s | ||
| 10458152 | 84576 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1021/jm060439n | ||
| CHEMBL209267 | 84576 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccccc1 | 10.1021/jm060439n | ||
| 44353396 | 122027 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 4.7 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1C | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL334766 | 122027 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 313 | 3 | 1 | 2 | 4.7 | Cc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1C | 10.1016/j.bmcl.2003.10.049 | ||
| 10203447 | 161407 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL399328 | 161407 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10203447 | 161407 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL399328 | 161407 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44444103 | 100811 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 470 | 5 | 0 | 2 | 6.4 | Cc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248814 | 100811 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 470 | 5 | 0 | 2 | 6.4 | Cc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 90656020 | 117886 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263267 | 117886 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 602 | 6 | 1 | 7 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2N(C(=O)OCc3ccccc3)CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 22310839 | 28513 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL131885 | 28513 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 89823443 | 133121 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
| CHEMBL3650390 | 133121 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
| 44395097 | 73840 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL187237 | 73840 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CCNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44442541 | 161599 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400382 | 161599 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)NCc1ccc(C)cc1C | 10.1016/j.bmcl.2007.07.028 | ||
| 44439155 | 98749 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241497 | 98749 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 594 | 12 | 4 | 6 | 5.2 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 53317526 | 65247 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683076 | 65247 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 5 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 46842235 | 14608 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089629 | 14608 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44453298 | 162018 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL402723 | 162018 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 421 | 6 | 3 | 4 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44570780 | 190824 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.0 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL482201 | 190824 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 7 | 4 | 5 | 3.0 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44425649 | 92904 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425305 | 92839 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 6.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230828 | 92839 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 555 | 8 | 1 | 4 | 6.9 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1cscn1 | 10.1016/j.bmcl.2006.10.059 | ||
| 69285465 | 128008 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577938 | 128008 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 457 | 9 | 2 | 4 | 3.5 | COCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 68003997 | 93375 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 6 | 3 | 8 | 3.6 | N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315940 | 93375 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 530 | 6 | 3 | 8 | 3.6 | N#Cc1cc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
| 57344298 | 75727 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | nan | ||
| CHEMBL1922814 | 75727 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(F)c2)CC1 | nan | ||
| 71517240 | 93153 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313770 | 93153 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 56659295 | 72584 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834852 | 72584 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 503 | 7 | 2 | 7 | 4.2 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425318 | 157090 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL395289 | 157090 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 44442586 | 100586 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247621 | 100586 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 5 | 5 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442588 | 100693 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248188 | 100693 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 577 | 12 | 5 | 5 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NCC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 24801526 | 104392 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
| CHEMBL270959 | 104392 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 541 | 7 | 5 | 6 | 1.5 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(N)(=O)=O)cc1 | 10.1021/jm701488f | ||
| 72947413 | 112033 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115271 | 112033 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57344229 | 137418 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| CHEMBL3681886 | 137418 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| 54755562 | 72561 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 549 | 8 | 2 | 7 | 4.0 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC(F)(F)F)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834780 | 72561 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 549 | 8 | 2 | 7 | 4.0 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(CC(F)(F)F)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 25268440 | 100682 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL248153 | 100682 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 5 | 1 | 2 | 4.3 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44573651 | 193988 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492376 | 193988 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 10276594 | 100740 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 9 | 4 | 4 | 2.1 | CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248420 | 100740 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 9 | 4 | 4 | 2.1 | CNC(=O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 15290299 | 29388 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL132664 | 29388 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 319 | 3 | 1 | 2 | 4.7 | O=C(O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 22310883 | 123518 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL337485 | 123518 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44573699 | 194453 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL495151 | 194453 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| 44395029 | 134066 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL365854 | 134066 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44444002 | 100771 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 410 | 9 | 1 | 3 | 4.6 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248638 | 100771 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 410 | 9 | 1 | 3 | 4.6 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 22310869 | 26245 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL129833 | 26245 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 183790 | 10514 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| 783 | 10514 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL1178786 | 10514 | 11 | None | - | 2 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| 44415939 | 146911 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL380190 | 146911 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425638 | 160313 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL398001 | 160313 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44415996 | 86818 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL212939 | 86818 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
| 53317527 | 65255 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683084 | 65255 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 71518406 | 93176 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.5 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314056 | 93176 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 4.5 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 89823349 | 133094 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650364 | 133094 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
| 44593562 | 194274 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| 44453370 | 162522 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL405632 | 162522 | 1 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44573538 | 200045 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL523861 | 200045 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 526 | 6 | 2 | 2 | 6.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc3C2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 11606167 | 97725 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239359 | 97725 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 11606167 | 97725 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239359 | 97725 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 526 | 14 | 1 | 5 | 6.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(OC)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 71519381 | 93148 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313765 | 93148 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 86767124 | 136185 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 2.7 | COC1COCCC1NC1CC2OC(C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671257 | 136185 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 483 | 4 | 1 | 6 | 2.7 | COC1COCCC1NC1CC2OC(C)CC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 11489078 | 80580 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018530 | 80580 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 12 | 4 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(OC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44447815 | 161817 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 2 | 5 | 6.0 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cc(Cl)ncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL401608 | 161817 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 2 | 5 | 6.0 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cc(Cl)ncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 53320350 | 65449 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684697 | 65449 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 463 | 6 | 1 | 5 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 10162782 | 80481 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL2018370 | 80481 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 11180885 | 80510 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018399 | 80510 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 49763575 | 72219 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829637 | 72219 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 474 | 6 | 3 | 4 | 3.0 | N[C@]1(c2ccccc2)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44444112 | 161621 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL400484 | 161621 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 454 | 7 | 1 | 3 | 5.2 | COc1ccc(C2CCN(CC3CCC(NC(=O)/C=C/c4cc(F)cc(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44449204 | 102484 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 8 | 3 | 3 | 5.4 | CCNC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL258252 | 102484 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 581 | 8 | 3 | 3 | 5.4 | CCNC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44395222 | 73818 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL187126 | 73818 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 8 | 2 | 6 | 3.8 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 10279914 | 80479 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018368 | 80479 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44453369 | 104544 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 3.1 | O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271726 | 104544 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 3.1 | O=C(CNC(=O)c1cccc(Cl)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 122181144 | 128610 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589839 | 128610 | 0 | None | - | 0 | Mouse | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 514 | 6 | 1 | 3 | 5.7 | O=C(CCCN1CCC2(CC1)OCCc1ccccc12)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmc.2015.02.019 | ||
| 8447 | 195728 | 84 | None | -12 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| CHEMBL508112 | 195728 | 84 | None | -12 | 13 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| 44415900 | 86711 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 8 | 2 | 4 | 4.7 | CS(=O)(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL212542 | 86711 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 589 | 8 | 2 | 4 | 4.7 | CS(=O)(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 3117 | 214620 | 103 | None | -2 | 16 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 214620 | 103 | None | -2 | 16 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 71517737 | 93146 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313763 | 93146 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 127027956 | 144358 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 1 | 4.8 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c2ccccc12 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754764 | 144358 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 294 | 2 | 1 | 1 | 4.8 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c2ccccc12 | 10.1016/j.bmcl.2015.11.051 | ||
| 69285531 | 128005 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577935 | 128005 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 441 | 8 | 2 | 3 | 4.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 57344303 | 75706 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922789 | 75706 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 57344305 | 75714 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922797 | 75714 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 46944853 | 72204 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829621 | 72204 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)ccn1 | 10.1016/j.bmcl.2011.06.080 | ||
| 56677288 | 72217 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829634 | 72217 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 517 | 6 | 3 | 5 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccc4c(c3)OCC4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44416157 | 87370 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215020 | 87370 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 44413257 | 84216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 8 | 1 | 3 | 5.4 | CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL208685 | 84216 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 464 | 8 | 1 | 3 | 5.4 | CN(C)CCS[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 11670968 | 176154 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL442085 | 176154 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 54585108 | 69337 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782569 | 69337 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ccnc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 89823348 | 133126 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650395 | 133126 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| 46241609 | 90341 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml300260s | ||
| CHEMBL2204248 | 90341 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml300260s | ||
| 25268085 | 100681 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL248151 | 100681 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 417 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(Br)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 10227556 | 100741 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 9 | 3 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248421 | 100741 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 478 | 9 | 3 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 89823555 | 133078 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650348 | 133078 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 89823534 | 133079 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650349 | 133079 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@H]3C[C@@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 89823347 | 133108 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650378 | 133108 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncccc2C(F)(F)F)C1 | nan | ||
| 89834736 | 133116 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
| CHEMBL3650386 | 133116 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 522 | 5 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@H]1NC1C[C@H]2CCC[C@@]2(C(=O)N2[C@H]3CC[C@@H]2CN(c2cc(C(F)(F)F)ccn2)C3)C1 | nan | ||
| 53326900 | 65439 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(C)C)(N2CCN(C(=O)OC(C)(C)C)CC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684682 | 65439 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 425 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(C)C)(N2CCN(C(=O)OC(C)(C)C)CC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 127025447 | 144312 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754334 | 144312 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 306 | 3 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(-c3ccccc3)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 42632888 | 100406 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246725 | 100406 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 433 | 6 | 1 | 2 | 5.4 | C[N+](C)(Cc1ccc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 57656729 | 82001 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 2.4 | CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036779 | 82001 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 414 | 3 | 1 | 4 | 2.4 | CCN1CCOC(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44593564 | 194011 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492564 | 194011 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 70688149 | 81999 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036777 | 81999 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 4 | 2.8 | CC(C)N1CCN[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44453472 | 162317 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404259 | 162317 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44425635 | 160311 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL398000 | 160311 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 10196988 | 176244 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL442929 | 176244 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 628 | 10 | 4 | 6 | 4.8 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44442562 | 100508 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247210 | 100508 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 9 | 3 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44353464 | 27671 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL131065 | 27671 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1c(Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 56661559 | 72524 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834641 | 72524 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 453 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44444003 | 100772 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 9 | 1 | 3 | 5.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248639 | 100772 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 460 | 9 | 1 | 3 | 5.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44395195 | 178148 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 10 | 3 | 5 | 4.1 | Cc1csc(C(=O)NNC(=O)CN2CCCC2CNCCC(c2ccccc2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL446178 | 178148 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 490 | 10 | 3 | 5 | 4.1 | Cc1csc(C(=O)NNC(=O)CN2CCCC2CNCCC(c2ccccc2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 71517403 | 93158 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313775 | 93158 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 535 | 4 | 1 | 5 | 4.1 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](C(F)(F)F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 127025728 | 144314 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754349 | 144314 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1 | 10.1016/j.bmcl.2015.11.051 | ||
| 67774360 | 137406 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 7 | 4 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
| CHEMBL3681875 | 137406 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 7 | 4 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
| 44453563 | 101864 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 2.7 | N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL255385 | 101864 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 430 | 6 | 2 | 4 | 2.7 | N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 57656869 | 81996 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036774 | 81996 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@H]2CN(C3CC3)CCO2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 24801180 | 104816 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| CHEMBL273079 | 104816 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| 68004012 | 93360 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315925 | 93360 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2012.12.017 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2020.112311 | ||
| 72947595 | 111998 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115096 | 111998 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1007/s00044-010-9497-9 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm300682j | ||
| 57656640 | 81986 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036762 | 81986 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 390 | 4 | 1 | 3 | 3.7 | Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1Cl | 10.1016/j.bmcl.2012.04.118 | ||
| 10208946 | 80493 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.2 | CCCC(O)(CCC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018382 | 80493 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.2 | CCCC(O)(CCC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 46241718 | 90346 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204253 | 90346 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccc(OC4CCC4)nc3)CC2)C1 | 10.1021/ml300260s | ||
| 49763931 | 72200 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829617 | 72200 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 499 | 6 | 3 | 4 | 3.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc4[nH]cnc4c3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54754723 | 72527 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834644 | 72527 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 8 | 2 | 6 | 3.4 | CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54755081 | 72551 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834719 | 72551 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 7 | 3 | 6 | 2.9 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 57396901 | 77299 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 9 | 3 | 5 | 3.2 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1947042 | 77299 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 525 | 9 | 3 | 5 | 3.2 | CCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44425650 | 92905 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231143 | 92905 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 570 | 9 | 1 | 2 | 8.3 | CCCCCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 71768864 | 117890 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263271 | 117890 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 485 | 5 | 1 | 7 | 2.2 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(OC(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.9b01701 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm9906264 | ||
| 10175423 | 195225 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502515 | 195225 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 10 | 4 | 6 | 4.4 | CCNC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 53325639 | 65244 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683073 | 65244 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 53321484 | 65251 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683080 | 65251 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44573651 | 193988 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL492376 | 193988 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(C)C)C1 | 10.1007/s00044-010-9501-4 | ||
| 57344297 | 75728 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | nan | ||
| CHEMBL1922815 | 75728 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 502 | 7 | 3 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccccc2F)CC1 | nan | ||
| 46240381 | 90349 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
| CHEMBL2204256 | 90349 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
| 44353223 | 123288 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 4 | 2 | 3 | 3.7 | O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL336143 | 123288 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 329 | 4 | 2 | 3 | 3.7 | O=C(O)c1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 46886508 | 15089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 6.2 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092739 | 15089 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 8 | 3 | 6 | 6.2 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 89823438 | 133109 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 | nan | ||
| CHEMBL3650379 | 133109 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C(F)(F)F)cn2)C1 | nan | ||
| 89823624 | 133110 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(Cl)c2)C1 | nan | ||
| CHEMBL3650380 | 133110 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 474 | 5 | 1 | 6 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(Cl)c2)C1 | nan | ||
| 89823464 | 133130 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
| CHEMBL3650399 | 133130 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2C#N)C1 | nan | ||
| 89823401 | 133134 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 5 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
| CHEMBL3650402 | 133134 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 512 | 5 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(Cl)c2C#N)C1 | nan | ||
| 44425638 | 160313 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL398001 | 160313 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 620 | 9 | 1 | 2 | 9.2 | CCCCCCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 72946381 | 112013 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115110 | 112013 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 68616341 | 80508 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018397 | 80508 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 56678507 | 72574 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834793 | 72574 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 492 | 6 | 2 | 7 | 4.0 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44416138 | 145652 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL378195 | 145652 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 564 | 7 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 22143196 | 190766 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481790 | 190766 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44425642 | 149124 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL388675 | 149124 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 53325385 | 65232 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683061 | 65232 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53326242 | 65462 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 4 | 2 | 4 | 2.7 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684711 | 65462 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 4 | 2 | 4 | 2.7 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)NC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 54584164 | 69342 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782574 | 69342 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)cs3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44425649 | 92904 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmcl.2008.12.050 | ||
| 10323468 | 194451 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL495149 | 194451 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1016/j.bmcl.2008.12.050 | ||
| 10119551 | 100587 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 5 | 6 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247622 | 100587 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 537 | 10 | 5 | 6 | 2.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(OC(F)(F)F)ccc2N)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22143196 | 190766 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL481790 | 190766 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 89823620 | 133141 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650409 | 133141 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 44425243 | 92578 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 8 | 2 | 7 | 6.2 | Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL229536 | 92578 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 8 | 2 | 7 | 6.2 | Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44416041 | 87207 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214647 | 87207 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 22310991 | 26254 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL129881 | 26254 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44395138 | 130755 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 8 | 4 | 7 | 2.5 | O=C(CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL362889 | 130755 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 508 | 8 | 4 | 7 | 2.5 | O=C(CN1CCCN(CCC(O)(c2ccccc2)c2cccc(O)c2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
| 70683355 | 80591 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018542 | 80591 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 620 | 11 | 4 | 6 | 5.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| 91754543 | 133144 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 465 | 4 | 1 | 4 | 4.1 | O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C12CCCC1CC(NC1CCOCC1)C2 | nan | ||
| CHEMBL3650412 | 133144 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 465 | 4 | 1 | 4 | 4.1 | O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)C12CCCC1CC(NC1CCOCC1)C2 | nan | ||
| 46241121 | 90347 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 3 | 6 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ncco3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204254 | 90347 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 466 | 6 | 3 | 6 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ncco3)CC2)C1 | 10.1021/ml300260s | ||
| 49863167 | 21977 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.6 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210603 | 21977 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 561 | 9 | 2 | 6 | 5.6 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 46886059 | 14754 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 7 | 1 | 5 | 4.0 | CN(C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1090561 | 14754 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 565 | 7 | 1 | 5 | 4.0 | CN(C)[C@@H]1CC[C@H](N2CCC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 127025446 | 144058 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752224 | 144058 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 44439156 | 98750 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 5.9 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241498 | 98750 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 5.9 | COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44415903 | 87925 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215759 | 87925 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 8 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccccc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 46842084 | 14687 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1090206 | 14687 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 4 | 3.9 | Cc1ccccc1C(=O)N1CCC(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| 72946387 | 112003 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115100 | 112003 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 54756038 | 72552 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834720 | 72552 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 468 | 7 | 2 | 7 | 3.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3noc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56683044 | 72576 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834795 | 72576 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 6 | 3 | 8 | 3.4 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 56659196 | 72577 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834796 | 72577 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 522 | 8 | 3 | 8 | 3.4 | O=C(CNc1nn(CCO)c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 71768830 | 117882 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263261 | 117882 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 485 | 4 | 1 | 6 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2SCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 54582216 | 69339 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782571 | 69339 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 500 | 6 | 1 | 8 | 2.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nncc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44573486 | 199937 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL523054 | 199937 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 11721085 | 173638 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL428559 | 173638 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 71519055 | 93173 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314053 | 93173 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 476 | 4 | 1 | 4 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Br)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 56668306 | 72491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 6 | 2 | 4 | 5.2 | O=C(CSc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834580 | 72491 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 488 | 6 | 2 | 4 | 5.2 | O=C(CSc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44441396 | 100358 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 1 | 1 | 6.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246522 | 100358 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 1 | 1 | 6.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 57402254 | 77287 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946835 | 77287 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44444109 | 100891 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.2 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249208 | 100891 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 504 | 6 | 0 | 2 | 7.2 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CCN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44443996 | 161781 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL401387 | 161781 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 53322813 | 65256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 547 | 7 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683085 | 65256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 547 | 7 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](Cc2cccnc2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 127028588 | 144212 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2cccc(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753509 | 144212 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2cccc(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| 44415996 | 86818 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL212939 | 86818 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 586 | 8 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)Cc1ccccc1 | 10.1016/j.bmcl.2006.07.011 | ||
| 24794656 | 187655 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4757452 | 187655 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 450 | 4 | 3 | 6 | 2.0 | CC(=O)N[C@@H]1C[C@H](N)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 86767121 | 136182 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 3.3 | O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
| CHEMBL3671254 | 136182 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 438 | 3 | 1 | 4 | 3.3 | O=C(N1CCc2ccc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
| 162656188 | 187694 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4757857 | 187694 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 429 | 5 | 3 | 5 | 1.4 | CN[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(C)(C)C)n3)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| 44447766 | 173657 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL428594 | 173657 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 50992246 | 65245 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 65245 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 50992246 | 65245 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1683074 | 65245 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 25110788 | 92735 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230166 | 92735 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425252 | 149035 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 652 | 9 | 2 | 7 | 6.6 | CC(=O)Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388486 | 149035 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 652 | 9 | 2 | 7 | 6.6 | CC(=O)Nc1nc(C(CCN2CCC(n3cnc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425255 | 175663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL438304 | 175663 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 8 | 2 | 5 | 7.2 | CC(=O)Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 50992246 | 65245 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683074 | 65245 | 2 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44593563 | 199889 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL522688 | 199889 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 68769802 | 128018 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577949 | 128018 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 7 | 1 | 6 | 4.2 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/ml500505q | ||
| 11433008 | 84412 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088378 | 84412 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 564 | 8 | 2 | 5 | 4.9 | Cc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 44570781 | 199344 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL521275 | 199344 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 8 | 4 | 4 | 3.7 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc3[nH]ccc3c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44425645 | 92857 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230933 | 92857 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 53318853 | 65230 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683059 | 65230 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 4.6 | CC(C)[C@]1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53317041 | 65463 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684712 | 65463 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 5 | 1 | 5 | 3.3 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC2CCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 53325460 | 65268 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683190 | 65268 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 57395217 | 77784 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951768 | 77784 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccccn3)CC2)C1 | 10.1021/ml200030q | ||
| 57391767 | 77794 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| CHEMBL1951779 | 77794 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.3 | CCOc1ccc([C@]2(O)CC[C@H](N3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200030q | ||
| 53317028 | 65457 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684706 | 65457 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 493 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| 25022597 | 102114 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL256629 | 102114 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 6 | 3 | 4 | 3.0 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)c(C)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| 66768640 | 128004 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577934 | 128004 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 16066354 | 128013 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
| CHEMBL3577943 | 128013 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 5.2 | CCC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)C1=O | 10.1021/ml500505q | ||
| 44425644 | 92856 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230932 | 92856 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 11353855 | 81324 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029568 | 81324 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cc(C(F)(F)F)ccn2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 70689915 | 81328 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
| CHEMBL2029572 | 81328 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 611 | 6 | 3 | 9 | 3.3 | O=C(N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1)C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 | 10.1021/ml200199c | ||
| 10117480 | 80491 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018380 | 80491 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 53325460 | 65268 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683190 | 65268 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 538 | 6 | 1 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 22143155 | 194841 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497788 | 194841 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 57656833 | 82004 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 82004 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46886538 | 15090 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 647 | 8 | 1 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092748 | 15090 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 647 | 8 | 1 | 5 | 5.4 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 44425653 | 93004 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231246 | 93004 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 546 | 6 | 1 | 3 | 6.7 | CSC[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425272 | 92810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 626 | 10 | 2 | 5 | 7.2 | CCC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230684 | 92810 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 626 | 10 | 2 | 5 | 7.2 | CCC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425290 | 160310 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397997 | 160310 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 628 | 9 | 2 | 6 | 7.0 | COC(=O)Nc1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 53323653 | 65446 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684694 | 65446 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 5 | 1 | 5 | 3.3 | CC(OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2)C1)C(F)(F)F | 10.1016/j.bmcl.2011.01.052 | ||
| 44425644 | 92856 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230932 | 92856 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 514 | 5 | 1 | 2 | 6.7 | CCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 10281316 | 80497 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1021/jm300682j | ||
| CHEMBL2018386 | 80497 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1021/jm300682j | ||
| 10281316 | 80497 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018386 | 80497 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NCC | 10.1016/j.bmcl.2012.03.007 | ||
| 11353843 | 81322 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029566 | 81322 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 6 | 2 | 7 | 4.8 | O=C(C1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 24801690 | 104817 | 25 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| CHEMBL273083 | 104817 | 25 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| 11527661 | 8802 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 9045 | 8802 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200030q | ||
| 10218403 | 194689 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL496630 | 194689 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 557 | 9 | 3 | 6 | 3.5 | CN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccc(SC)cc2)C1 | 10.1016/j.bmcl.2009.05.041 | ||
| 11527661 | 8802 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9045 | 8802 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL1963131 | 8802 | 30 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc(cn1)C1(O)CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 70683350 | 80501 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018390 | 80501 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 607 | 12 | 5 | 6 | 3.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCOCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11179439 | 80511 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018400 | 80511 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44583280 | 179228 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL447937 | 179228 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 640 | 9 | 3 | 6 | 4.9 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44570714 | 196573 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL516224 | 196573 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 9 | 5 | 6 | 3.6 | CSc1ccc(C(=O)NC2CCC(NC(C)C)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 22143112 | 195224 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL502513 | 195224 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 11 | 5 | 6 | 3.7 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 50992246 | 65245 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683074 | 65245 | 2 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 24794585 | 186303 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4741305 | 186303 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 44425647 | 92876 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231039 | 92876 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425273 | 92829 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 638 | 10 | 2 | 5 | 7.2 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230794 | 92829 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 638 | 10 | 2 | 5 | 7.2 | O=C(Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)C1CC1 | 10.1016/j.bmcl.2006.10.059 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 44449031 | 102473 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL258204 | 102473 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 10323427 | 86535 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL211775 | 86535 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 72947411 | 112034 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115272 | 112034 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 11721085 | 173638 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL428559 | 173638 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 565 | 13 | 2 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 56671792 | 72568 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834787 | 72568 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 472 | 6 | 3 | 5 | 3.9 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 11640044 | 155026 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 405 | 5 | 1 | 1 | 6.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL393631 | 155026 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 405 | 5 | 1 | 1 | 6.2 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44425308 | 160485 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL398150 | 160485 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 627 | 9 | 3 | 5 | 6.6 | CNC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44573486 | 199937 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL523054 | 199937 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 90656025 | 117897 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 0 | 6 | 2.7 | COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263280 | 117897 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 0 | 6 | 2.7 | COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 76335990 | 112016 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115113 | 112016 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44453535 | 161953 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL402322 | 161953 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 25033361 | 161262 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL399045 | 161262 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 25033361 | 161262 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL399045 | 161262 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 490 | 5 | 0 | 2 | 6.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44353367 | 124081 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 3 | 1 | 3 | 4.6 | N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL339670 | 124081 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 344 | 3 | 1 | 3 | 4.6 | N#Cc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
| 44442542 | 100540 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 10 | 4 | 4 | 2.2 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247406 | 100540 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 464 | 10 | 4 | 4 | 2.2 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 10409097 | 73416 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 2.4 | O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL185282 | 73416 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 406 | 5 | 2 | 5 | 2.4 | O=C(CN1CCCN(Cc2ccc(Cl)cc2)CC1)NNC(=O)c1cccs1 | 10.1016/j.bmcl.2004.08.008 | ||
| 127027624 | 144166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cc(C)cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753178 | 144166 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cc(C)cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
| 10277182 | 104778 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 4.6 | Cc1ccc(CN(C)[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL272860 | 104778 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 475 | 7 | 2 | 3 | 4.6 | Cc1ccc(CN(C)[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 22394337 | 123868 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL339275 | 123868 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1cccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 24801690 | 104817 | 25 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| CHEMBL273083 | 104817 | 25 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| 46830336 | 14622 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089793 | 14622 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3cc(F)ccc3F)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 11214277 | 81312 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccnc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1021/ml200199c | ||
| CHEMBL2029415 | 81312 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccnc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1021/ml200199c | ||
| 44453268 | 101904 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 7 | 3 | 4 | 2.8 | CC(=O)Nc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL255585 | 101904 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 462 | 7 | 3 | 4 | 2.8 | CC(=O)Nc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 89823413 | 133111 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650381 | 133111 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
| 44453474 | 104647 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272284 | 104647 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 512 | 6 | 3 | 4 | 2.6 | Nc1ccc(I)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 72946198 | 112011 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115108 | 112011 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 10299408 | 80475 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018363 | 80475 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 46946058 | 72206 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 504 | 7 | 2 | 6 | 2.8 | CN(C)c1ncc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829623 | 72206 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 504 | 7 | 2 | 6 | 2.8 | CN(C)c1ncc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
| 56683121 | 72585 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834853 | 72585 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cncs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56676474 | 72586 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834854 | 72586 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 6 | 2 | 7 | 4.2 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3nccs3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 53322811 | 65248 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683077 | 65248 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54583112 | 69320 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782378 | 69320 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 513 | 6 | 0 | 7 | 3.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 46240380 | 90338 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 7 | 3 | 6 | 2.5 | CN(C)c1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204245 | 90338 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 519 | 7 | 3 | 6 | 2.5 | CN(C)c1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 57393531 | 77286 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946834 | 77286 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44442596 | 100247 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 11 | 5 | 6 | 3.8 | CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246098 | 100247 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 11 | 5 | 6 | 3.8 | CCOC(=O)Nc1cc(C(=O)NCC(=O)N[C@@H](CNCc2ccc(C)cc2C)C(=O)NC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 73351183 | 100009 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL2448120 | 100009 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44453477 | 162082 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL402988 | 162082 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44443989 | 101223 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 2 | 5.3 | O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL251217 | 101223 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 414 | 8 | 1 | 2 | 5.3 | O=C(/C=C/c1ccc(F)cc1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 46886507 | 14856 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 9 | 4 | 6 | 5.7 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1091266 | 14856 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 9 | 4 | 6 | 5.7 | CSc1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 89823576 | 133107 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
| CHEMBL3650377 | 133107 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
| 46842233 | 14490 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1088875 | 14490 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 2 | 4 | 4.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 508741 | 174248 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL429912 | 174248 | 1 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 435 | 7 | 2 | 4 | 2.8 | COc1cccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)c1 | 10.1016/j.bmcl.2008.02.015 | ||
| 90656017 | 117884 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2NCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263264 | 117884 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2NCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 72946198 | 112011 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115108 | 112011 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 624 | 7 | 1 | 8 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 72946199 | 112010 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115107 | 112010 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57656854 | 82003 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036781 | 82003 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 2 | 4 | 2.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46944854 | 72203 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829620 | 72203 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1cnccc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54754724 | 72528 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834645 | 72528 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 479 | 9 | 2 | 6 | 3.6 | C=CCOC[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425649 | 92904 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44413214 | 84575 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.9 | Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL209263 | 84575 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.9 | Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2 | 10.1016/j.bmcl.2006.04.045 | ||
| 53320349 | 65443 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 2.6 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684690 | 65443 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 417 | 5 | 1 | 4 | 2.6 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44570717 | 190611 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480620 | 190611 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.2 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44425256 | 92828 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 631 | 9 | 2 | 6 | 5.9 | CC(=O)Nc1nc(C(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230791 | 92828 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 631 | 9 | 2 | 6 | 5.9 | CC(=O)Nc1nc(C(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 89823552 | 133081 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| CHEMBL3650351 | 133081 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| 76335990 | 112016 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115113 | 112016 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 482 | 4 | 1 | 6 | 2.1 | COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57344229 | 137419 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| CHEMBL3681887 | 137419 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 542 | 6 | 4 | 3 | 6.5 | O=C(O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| 10137967 | 160727 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL398354 | 160727 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10137967 | 160727 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL398354 | 160727 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 437 | 9 | 4 | 4 | 2.3 | Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44444099 | 161187 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL398844 | 161187 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11844329 | 86815 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 7 | 1 | 2 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL212928 | 86815 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 592 | 7 | 1 | 2 | 7.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 23656584 | 96696 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 2 | 3 | 6.0 | O=C(O)C(C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237966 | 96696 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 541 | 7 | 2 | 3 | 6.0 | O=C(O)C(C1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 44453327 | 101870 | 25 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL255408 | 101870 | 25 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 42632840 | 175490 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 364 | 5 | 1 | 3 | 3.6 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL436822 | 175490 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 364 | 5 | 1 | 3 | 3.6 | C[N+](C)(Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 127025730 | 144100 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752640 | 144100 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
| 89823462 | 133136 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
| CHEMBL3650404 | 133136 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
| 72947411 | 112034 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115272 | 112034 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 598 | 6 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 72946381 | 112013 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115110 | 112013 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 609 | 7 | 1 | 8 | 2.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 69285563 | 128006 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577936 | 128006 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 67774071 | 137434 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681901 | 137434 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 521 | 7 | 3 | 4 | 4.3 | NC(=O)C(NC1CCC(c2c[nH]c3ncccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 54754844 | 72520 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 434 | 5 | 2 | 6 | 2.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C#N)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834638 | 72520 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 434 | 5 | 2 | 6 | 2.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C#N)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 71768831 | 117892 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 8 | 1.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263273 | 117892 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 499 | 5 | 1 | 8 | 1.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 122181238 | 128631 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589952 | 128631 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)C1CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 23655673 | 153433 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL392366 | 153433 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 71518405 | 93175 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 4.7 | CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314055 | 93175 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 4.7 | CCC(CC)N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 23655673 | 153433 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL392366 | 153433 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 539 | 6 | 1 | 4 | 5.3 | COC(=O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 44395169 | 72931 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CNC2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL184240 | 72931 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 476 | 9 | 3 | 5 | 3.7 | Cc1csc(C(=O)NNC(=O)CNC2CCN(CCC(c3ccccc3)c3ccccc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 11690536 | 128000 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 12 | 4 | 4 | 2.7 | CCC[C@H](O)[C@H](CNCCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577930 | 128000 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 431 | 12 | 4 | 4 | 2.7 | CCC[C@H](O)[C@H](CNCCC(C)C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 71519224 | 93174 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 4 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314054 | 93174 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 466 | 4 | 1 | 4 | 3.9 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 57400331 | 77301 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1947044 | 77301 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](NC2CCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| 57403811 | 77116 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 10 | 3 | 6 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944779 | 77116 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 651 | 10 | 3 | 6 | 4.1 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 53326703 | 65253 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683082 | 65253 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 514 | 8 | 1 | 7 | 2.7 | CCOC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 89823551 | 133090 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650360 | 133090 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
| 11215504 | 80577 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018527 | 80577 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 5.4 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 57398590 | 77112 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](N2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944775 | 77112 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 565 | 8 | 2 | 5 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CC[C@@H](N2CCCCC2)[C@@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| 71768862 | 117894 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2ccnc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263275 | 117894 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2ccnc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 22310924 | 26940 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130467 | 26940 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2cccc(Cl)c2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 22311000 | 27118 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130608 | 27118 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 353 | 3 | 1 | 2 | 5.3 | O=C(O)c1cc2ccc(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44444006 | 100813 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 4.9 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248829 | 100813 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 4.9 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 23656432 | 161180 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 549 | 6 | 1 | 5 | 5.2 | CC(=O)n1cc(C2CCN(C(C(=O)O)C3CCN(C(=O)/C=C/c4cc(F)cc(F)c4)CC3)CC2)c2ccccc21 | 10.1021/jm070902b | ||
| CHEMBL398796 | 161180 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 549 | 6 | 1 | 5 | 5.2 | CC(=O)n1cc(C2CCN(C(C(=O)O)C3CCN(C(=O)/C=C/c4cc(F)cc(F)c4)CC3)CC2)c2ccccc21 | 10.1021/jm070902b | ||
| 44395137 | 72967 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL184390 | 72967 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(F)c3)c3cccc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 127028587 | 144334 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2ccc(Cl)cc2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754549 | 144334 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 250 | 2 | 1 | 1 | 3.8 | C[C@@]1(c2ccc(Cl)cc2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| 44413328 | 146036 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL378995 | 146036 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 8 | 2 | 3 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 25270182 | 100099 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 6 | 1 | 2 | 5.7 | Cc1ccc(-c2cccc(C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)c2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245290 | 100099 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 429 | 6 | 1 | 2 | 5.7 | Cc1ccc(-c2cccc(C(=O)Nc3ccc(C[N+](C)(C)C4CCOCC4)cc3)c2)cc1 | 10.1016/j.bmcl.2007.01.115 | ||
| 46885159 | 15147 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093153 | 15147 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2010.02.072 | ||
| 127027626 | 144028 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 1 | 1 | 3.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)c(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3751926 | 144028 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 266 | 2 | 1 | 1 | 3.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)c(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 44416015 | 87908 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215689 | 87908 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 72947193 | 112008 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115105 | 112008 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 568 | 6 | 1 | 7 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57656749 | 81985 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036761 | 81985 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 4.4 | O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 49763571 | 72192 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829609 | 72192 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 459 | 6 | 2 | 3 | 4.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 70687885 | 81304 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029407 | 81304 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 71768931 | 117902 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 4 | 1 | 5 | 4.9 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263285 | 117902 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 4 | 1 | 5 | 4.9 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4COc5ccc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44573487 | 199413 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL521697 | 199413 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 3 | 6.0 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 10141379 | 80478 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018366 | 80478 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 493 | 11 | 4 | 4 | 3.7 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44425642 | 149124 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL388675 | 149124 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 5 | 1 | 3 | 7.3 | CS[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 46885029 | 15021 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092343 | 15021 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1cccc(C(=O)N2CCN(CCN3CC[C@@H](NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2010.02.072 | ||
| 71518571 | 93180 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 3 | 1 | 5 | 3.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCS(=O)(=O)CC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314060 | 93180 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 485 | 3 | 1 | 5 | 3.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCS(=O)(=O)CC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 71552097 | 93364 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315929 | 93364 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 6 | 3 | 7 | 3.6 | Nc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| 46240895 | 90353 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204260 | 90353 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3ccns3)CC2)C1 | 10.1021/ml300260s | ||
| 46927116 | 72211 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829628 | 72211 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 4 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@](O)(c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54755919 | 72533 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834651 | 72533 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 6 | 2 | 7 | 4.5 | O=C(CNc1noc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44612590 | 144248 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753813 | 144248 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 53326702 | 65242 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683071 | 65242 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44425283 | 92836 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 648 | 10 | 2 | 6 | 6.2 | CS(=O)(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230824 | 92836 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 648 | 10 | 2 | 6 | 6.2 | CS(=O)(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425322 | 159980 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397717 | 159980 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 738 | 9 | 2 | 5 | 8.6 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)C3Cc4ccccc43)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 44573488 | 194458 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL495165 | 194458 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCSC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44442577 | 100321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.5 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246407 | 100321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.5 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442578 | 161908 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 10 | 4 | 5 | 3.0 | Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL402056 | 161908 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 10 | 4 | 5 | 3.0 | Cc1cc(N(C)C)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 16720313 | 92192 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
| CHEMBL226376 | 92192 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
| 53320967 | 65441 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 1 | 4 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684684 | 65441 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 5 | 1 | 4 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 24801344 | 104507 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 3 | 3 | 4.8 | CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL271537 | 104507 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 475 | 8 | 3 | 3 | 4.8 | CC(C)c1ccc(CN[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 44573410 | 194205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL493779 | 194205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44573410 | 194205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL493779 | 194205 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 494 | 7 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NCC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 122181153 | 128618 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589847 | 128618 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 558 | 7 | 1 | 3 | 6.3 | O=C(NCc1cc(F)cc(C(F)(F)F)c1)C(CCN1CCC2(CC1)OCCc1ccccc12)c1ccc(F)cc1 | 10.1016/j.bmc.2015.02.019 | ||
| 122181151 | 128617 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589846 | 128617 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 622 | 7 | 1 | 3 | 7.6 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 72946387 | 112003 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115100 | 112003 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 4 | 2 | 7 | 1.3 | COC1COCCC1N[C@@H]1C[C@H]2CN(/C(N)=N\C#N)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 11553070 | 81975 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036751 | 81975 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 398 | 4 | 1 | 3 | 3.9 | CCN1CCC[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46208367 | 90356 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204263 | 90356 | 13 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
| 10195882 | 77281 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946829 | 77281 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44415973 | 87830 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215394 | 87830 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 8 | 1 | 2 | 7.0 | C=CC[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44415939 | 146911 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL380190 | 146911 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44442598 | 161166 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL398747 | 161166 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 465 | 9 | 5 | 5 | 1.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2N)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 24801522 | 167916 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
| CHEMBL411726 | 167916 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 573 | 6 | 3 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NC(=O)c1ccc(I)cc1 | 10.1021/jm701488f | ||
| 89823526 | 133125 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| CHEMBL3650394 | 133125 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| 57344319 | 137413 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 | nan | ||
| CHEMBL3681881 | 137413 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cccc(F)c2)CC1 | nan | ||
| 9889422 | 133932 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL365681 | 133932 | 3 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 54755193 | 72519 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 6 | 3 | 4 | 4.0 | CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834637 | 72519 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 437 | 6 | 3 | 4 | 4.0 | CC(C)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 57395061 | 77111 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 10 | 2 | 5 | 3.9 | CCCN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944774 | 77111 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 10 | 2 | 5 | 3.9 | CCCN(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 71768897 | 117900 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263283 | 117900 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 543 | 4 | 1 | 5 | 4.5 | O=C(O)c1cccc(C2CCN([C@@H]3C[C@H]4OCC[C@@]4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44353197 | 27542 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 4 | 1 | 4 | 4.6 | O=C(NS(=O)(=O)C(F)(F)F)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130947 | 27542 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 4 | 1 | 4 | 4.6 | O=C(NS(=O)(=O)C(F)(F)F)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 127025729 | 144102 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1C | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752652 | 144102 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1C | 10.1016/j.bmcl.2015.11.051 | ||
| 127036934 | 144206 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753474 | 144206 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 248 | 2 | 1 | 1 | 3.5 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 57391797 | 77285 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946833 | 77285 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 68004016 | 93383 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nccc2ncc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2316211 | 93383 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1nccc2ncc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 11342351 | 84416 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 592 | 10 | 2 | 5 | 5.5 | CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088381 | 84416 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 592 | 10 | 2 | 5 | 5.5 | CCCc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 44415898 | 87896 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215654 | 87896 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 53320970 | 65455 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 2.5 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684704 | 65455 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 1 | 4 | 2.5 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44442566 | 161557 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400159 | 161557 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 22143196 | 190766 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL481790 | 190766 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 7 | 5 | 6 | 2.0 | CSc1ccc(C(=O)NC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44444005 | 100773 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248640 | 100773 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 428 | 9 | 1 | 3 | 4.8 | COc1ccc(C2CCN(CCCCNC(=O)/C=C/c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 132572938 | 163568 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL4070869 | 163568 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 551 | 8 | 1 | 4 | 6.4 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CN(CC(C)C)C3=O)cc1 | 10.1016/j.ejmech.2017.04.046 | ||
| 44353377 | 29942 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133111 | 29942 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 4 | 1 | 4 | 4.1 | CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 71552260 | 93373 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 6 | 3 | 8 | 4.2 | O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315938 | 93373 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 574 | 6 | 3 | 8 | 4.2 | O=C(CNc1nc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 72946013 | 112036 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115274 | 112036 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 76333441 | 91674 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccsc1 | 10.1007/s00044-010-9497-9 | ||
| CHEMBL2236473 | 91674 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](NCCN1CCCCC1)c1ccsc1 | 10.1007/s00044-010-9497-9 | ||
| 10323427 | 86535 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL211775 | 86535 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 493 | 8 | 2 | 4 | 5.2 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCC1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 508877 | 101836 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL255209 | 101836 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 53321503 | 65266 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683188 | 65266 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 516 | 8 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CCCF)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53321615 | 65454 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684703 | 65454 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)CC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 67772859 | 131225 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 7 | 2 | 4 | 5.6 | COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3639807 | 131225 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 7 | 2 | 4 | 5.6 | COC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 10139782 | 80474 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018362 | 80474 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 49763569 | 72193 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 2.7 | O=C(CNC(=O)c1ccccc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829610 | 72193 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 435 | 6 | 2 | 5 | 2.7 | O=C(CNC(=O)c1ccccc1)NC1CN([C@H]2CC[C@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 25268436 | 100204 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245896 | 100204 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 391 | 5 | 1 | 2 | 4.5 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(F)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 9885442 | 27525 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130936 | 27525 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 4 | 1 | 4 | 4.6 | O=C(O)c1cc2cc([N+](=O)[O-])ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 89823586 | 133102 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
| CHEMBL3650372 | 133102 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
| 72947413 | 112033 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115271 | 112033 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 510 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 155491018 | 180862 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 86767123 | 136184 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
| CHEMBL3671256 | 136184 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1CC2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)CC(NC3CCOCC3OC)CC2O1 | nan | ||
| 11699149 | 101881 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255478 | 101881 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 511 | 6 | 2 | 3 | 5.1 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 10304021 | 80495 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018384 | 80495 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 594 | 12 | 5 | 6 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)OC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 44415880 | 176118 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL441856 | 176118 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 44447775 | 102482 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL258246 | 102482 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 558 | 6 | 1 | 2 | 7.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44425643 | 92817 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230722 | 92817 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425271 | 160021 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 10 | 2 | 5 | 6.4 | O=CNc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL397747 | 160021 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 598 | 10 | 2 | 5 | 6.4 | O=CNc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44593562 | 194274 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 71768755 | 117877 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1C[C@@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H](NC3CCOCC3OC)C[C@H]2O1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263256 | 117877 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 497 | 5 | 1 | 6 | 3.1 | CCC1C[C@@]2(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)C[C@H](NC3CCOCC3OC)C[C@H]2O1 | 10.1016/j.bmcl.2014.03.036 | ||
| 11591956 | 96112 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL236930 | 96112 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 23656430 | 96656 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 3 | 4 | 4.8 | Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
| CHEMBL237806 | 96656 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 540 | 6 | 3 | 4 | 4.8 | Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
| 11548199 | 96697 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237967 | 96697 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)[C@H](C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 23656431 | 153115 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.5 | Cc1[nH]c2ccccc2c1C1CCN(C(C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1021/jm070902b | ||
| CHEMBL392120 | 153115 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 539 | 6 | 2 | 3 | 5.5 | Cc1[nH]c2ccccc2c1C1CCN(C(C(=O)O)C2CCN(C(=O)/C=C/c3cc(F)c(F)c(F)c3)CC2)CC1 | 10.1021/jm070902b | ||
| 44453405 | 102211 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257062 | 102211 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 6 | 4 | 5 | 2.6 | Nc1cc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)ccc1Cl | 10.1016/j.bmcl.2008.02.015 | ||
| 53318316 | 65453 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684702 | 65453 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 3.1 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 57395219 | 77786 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951770 | 77786 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncc3)CC2)C1 | 10.1021/ml200030q | ||
| 53320973 | 65464 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 6 | 1 | 5 | 3.0 | CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684713 | 65464 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 453 | 6 | 1 | 5 | 3.0 | CC(C)COC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]1(C(C)C)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44580590 | 200350 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL526859 | 200350 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 565 | 10 | 4 | 6 | 3.5 | CCCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 24794585 | 186303 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4741305 | 186303 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 478 | 5 | 2 | 6 | 2.6 | CC(=O)N[C@@H]1C[C@H](N(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 11283842 | 80513 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018402 | 80513 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 522 | 13 | 5 | 5 | 4.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11273379 | 81323 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029567 | 81323 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 595 | 6 | 2 | 8 | 4.2 | O=C(C1CCN(c2cccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 54583111 | 69319 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782377 | 69319 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 512 | 6 | 0 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 24794583 | 187872 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4760098 | 187872 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 464 | 5 | 3 | 6 | 2.3 | CN[C@@H]1CC[C@H](N2CC[C@H](Nc3ncnc4ccc(C(F)(F)F)cc34)C2=O)[C@H](NC(C)=O)C1 | 10.1021/acsmedchemlett.1c00082 | ||
| 53321616 | 65234 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683063 | 65234 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 25110716 | 161985 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
| CHEMBL402532 | 161985 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 4 | 0 | 3 | 7.0 | C[C@H]1CN([C@@H]2CC[C@@]3(CCO[C@H]3OCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2008.01.016 | ||
| 44573485 | 194500 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL495368 | 194500 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44573452 | 194386 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494770 | 194386 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 68764898 | 7459 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 9430 | 7459 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| CHEMBL3577945 | 7459 | 2 | None | - | 3 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 7 | 1 | 5 | 5.3 | CCC[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 10.1021/ml500505q | ||
| 10281715 | 80498 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018387 | 80498 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 10281715 | 80498 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL2018387 | 80498 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 69286635 | 128009 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577939 | 128009 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 9 | 2 | 3 | 4.9 | CC(C)CC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 44571218 | 190657 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481009 | 190657 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 523 | 7 | 5 | 6 | 2.5 | CSc1ccc(C(=O)NC2CC(N)CCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 57398750 | 77791 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951775 | 77791 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccnnc3)CC2)C1 | 10.1021/ml200030q | ||
| 66768640 | 128004 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL3577934 | 128004 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 515 | 13 | 6 | 5 | 2.6 | CCC[C@H](O)[C@H](CNCC1CC1)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 68004002 | 93359 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315924 | 93359 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 6 | 3 | 8 | 3.1 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 67774784 | 137428 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| CHEMBL3681896 | 137428 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| 11712754 | 101841 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 5 | 3 | 3 | 4.9 | O=C(Nc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255266 | 101841 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 5 | 3 | 3 | 4.9 | O=C(Nc1cc(F)cc(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11555541 | 162074 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 6 | 2 | 3 | 5.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL402955 | 162074 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 529 | 6 | 2 | 3 | 5.2 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11192300 | 80578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018528 | 80578 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 565 | 13 | 6 | 5 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC(=O)NCC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11718088 | 100357 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 5 | 1 | 1 | 5.8 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246520 | 100357 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 5 | 1 | 1 | 5.8 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 71519054 | 93172 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 1 | 4 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314052 | 93172 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 1 | 4 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(Cl)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 10436083 | 86652 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL212306 | 86652 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCCCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44442565 | 100316 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246401 | 100316 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 10299952 | 161790 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 10 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL401463 | 161790 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 488 | 10 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 24801343 | 104549 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 | 10.1021/jm701488f | ||
| CHEMBL271752 | 104549 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(C(F)(F)F)cc1 | 10.1021/jm701488f | ||
| 44395165 | 176252 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 3.4 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL442966 | 176252 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 508 | 9 | 2 | 6 | 3.4 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(CO)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44444098 | 168443 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1cccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL413084 | 168443 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 486 | 6 | 0 | 3 | 6.1 | COc1cccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44395129 | 73418 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 399 | 8 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL185283 | 73418 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 399 | 8 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 57344313 | 137435 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
| CHEMBL3681902 | 137435 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
| 57344303 | 137427 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681895 | 137427 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 71517239 | 93149 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313766 | 93149 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@H]1C[C@@H]2CCC[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 72946200 | 112009 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115106 | 112009 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 72946008 | 112014 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115111 | 112014 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 53321483 | 65249 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683078 | 65249 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 498 | 7 | 1 | 6 | 3.5 | CCC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 10279078 | 80490 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 508 | 11 | 5 | 5 | 3.5 | CCC(O)(CC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018379 | 80490 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 508 | 11 | 5 | 5 | 3.5 | CCC(O)(CC)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 46240687 | 90360 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204267 | 90360 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 528 | 7 | 3 | 7 | 3.2 | CSc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 44447786 | 101889 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL255511 | 101889 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 54584109 | 69321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782379 | 69321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 509 | 5 | 1 | 6 | 3.7 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 69286108 | 128011 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
| CHEMBL3577941 | 128011 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
| 10218812 | 200213 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 621 | 10 | 3 | 7 | 2.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL526180 | 200213 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 621 | 10 | 3 | 7 | 2.8 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NS(C)(=O)=O)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 89823580 | 133115 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
| CHEMBL3650385 | 133115 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
| 57344314 | 75705 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922788 | 75705 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 76314234 | 112000 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115098 | 112000 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 72945830 | 112004 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115101 | 112004 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 49764701 | 72213 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 6 | 3 | 5 | 2.9 | N#Cc1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829630 | 72213 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 500 | 6 | 3 | 5 | 2.9 | N#Cc1cccc([C@]2(O)CC[C@@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44442543 | 161600 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 2.9 | CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400383 | 161600 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 11 | 4 | 4 | 2.9 | CCNC(=O)[C@H](CCNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22310945 | 124839 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL340450 | 124839 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44395186 | 71992 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL182598 | 71992 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 478 | 8 | 1 | 5 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 57397013 | 77288 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 1.8 | N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946836 | 77288 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 343 | 4 | 3 | 3 | 1.8 | N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44395143 | 73788 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CNC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL186984 | 73788 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CNC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 24801345 | 104630 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL272167 | 104630 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 24801345 | 104630 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL272167 | 104630 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 122181152 | 128484 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3588870 | 128484 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 638 | 8 | 1 | 4 | 7.2 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 5353432 | 104271 | 89 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
| CHEMBL270299 | 104271 | 89 | None | -1 | 3 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
| 44573569 | 200068 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL524030 | 200068 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
| 44573569 | 200068 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL524030 | 200068 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 528 | 6 | 2 | 3 | 6.6 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44415904 | 87205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214641 | 87205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 9 | 1 | 2 | 7.0 | CCC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425306 | 149147 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388949 | 149147 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44453408 | 102213 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257064 | 102213 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 436 | 6 | 4 | 5 | 2.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44593562 | 194274 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494191 | 194274 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.6 | CC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 49863225 | 21987 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 13 | 5 | 7 | 4.4 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210728 | 21987 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 13 | 5 | 7 | 4.4 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44395136 | 73853 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 493 | 8 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL187284 | 73853 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 493 | 8 | 2 | 6 | 3.5 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(N)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 9842404 | 74048 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 2.5 | O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL188170 | 74048 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 371 | 6 | 2 | 3 | 2.5 | O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44413147 | 146491 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL379818 | 146491 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccsc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 25269516 | 100098 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 5 | 1 | 2 | 4.0 | Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245289 | 100098 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 353 | 5 | 1 | 2 | 4.0 | Cc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44439166 | 97321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238731 | 97321 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 595 | 12 | 5 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCNc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 11237256 | 80509 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018398 | 80509 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 46945254 | 72209 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829626 | 72209 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1cccnc1[C@H]1CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2011.06.080 | ||
| 89823575 | 133089 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
| CHEMBL3650359 | 133089 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
| 89823628 | 133127 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650396 | 133127 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| 11585168 | 97463 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239143 | 97463 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44442573 | 100318 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 10 | 4 | 5 | 2.7 | CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246404 | 100318 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 10 | 4 | 5 | 2.7 | CN(C)c1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44395125 | 129896 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 409 | 7 | 0 | 3 | 5.3 | N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL361121 | 129896 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 409 | 7 | 0 | 3 | 5.3 | N#Cc1ccc(CN2CCCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 508727 | 162098 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 6 | 2 | 3 | 2.6 | O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL403058 | 162098 | 1 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 389 | 6 | 2 | 3 | 2.6 | O=C(CNC(=O)c1cccc(F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44415945 | 146327 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL379634 | 146327 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CC[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 127028592 | 144278 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.4 | C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754037 | 144278 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 284 | 2 | 1 | 1 | 4.4 | C[C@@]1(c2ccc(Cl)c(Cl)c2)CCCC=C1C(=O)O | 10.1016/j.bmcl.2015.11.051 | ||
| 11585168 | 97463 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239143 | 97463 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 15 | 1 | 5 | 8.2 | CCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 46241509 | 90337 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204244 | 90337 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 46945857 | 72205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cnccn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829622 | 72205 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 461 | 6 | 2 | 5 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cnccn3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 54754722 | 72526 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834643 | 72526 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 439 | 6 | 3 | 6 | 2.4 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 10030247 | 102183 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL256954 | 102183 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccncn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44425634 | 148796 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL387587 | 148796 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 578 | 6 | 1 | 2 | 8.0 | CCC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 10240278 | 179676 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL451597 | 179676 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 654 | 10 | 4 | 6 | 5.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC2CCCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 69321774 | 80585 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 13 | 5 | 5 | 4.4 | CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018536 | 80585 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 593 | 13 | 5 | 5 | 4.4 | CCC[C@H](O)[C@H](CN(C)Cc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 11844471 | 86974 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CCC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| CHEMBL213648 | 86974 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 618 | 8 | 1 | 2 | 8.4 | CCC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| 71519053 | 93171 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314051 | 93171 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ccc(F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 11570045 | 97724 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239358 | 97724 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 11570045 | 97724 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239358 | 97724 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 530 | 13 | 1 | 4 | 7.3 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2ccc(Cl)cc2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 46885028 | 15194 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093470 | 15194 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 545 | 8 | 2 | 5 | 2.4 | Cc1ccccc1C(=O)N1CCN(CCN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1016/j.bmcl.2010.02.072 | ||
| 89823601 | 133138 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650406 | 133138 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 70696470 | 81993 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036769 | 81993 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 367 | 4 | 1 | 4 | 2.6 | N#Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCN(C4CC4)C3)CC2)cc1 | 10.1016/j.bmcl.2012.04.118 | ||
| 72946775 | 112012 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115109 | 112012 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 597 | 7 | 2 | 8 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCNC(C)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 71517401 | 93156 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313773 | 93156 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 3.5 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](Cl)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 51039119 | 182996 | 33 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 182996 | 33 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 46241826 | 90336 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204243 | 90336 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.8 | Cc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 56667036 | 72201 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829618 | 72201 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 6 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44447789 | 162001 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 600 | 7 | 3 | 4 | 6.2 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL402624 | 162001 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 600 | 7 | 3 | 4 | 6.2 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44453472 | 162317 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404259 | 162317 | 1 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 454 | 6 | 3 | 4 | 3.1 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44425640 | 103704 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL266017 | 103704 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 11844470 | 148514 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| CHEMBL385824 | 148514 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCC12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| 11456448 | 84420 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088385 | 84420 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 6.2 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(Cc3ccccc3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 53321427 | 65240 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683069 | 65240 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 89823598 | 133143 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650410 | 133143 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 44395094 | 74031 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL188075 | 74031 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 528 | 8 | 2 | 6 | 4.3 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cccc(Cl)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 46886057 | 15171 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1093319 | 15171 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 44612589 | 144210 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753491 | 144210 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 44444000 | 101286 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL251620 | 101286 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 464 | 8 | 1 | 2 | 6.4 | O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCCCN1CCC(c2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44395254 | 73016 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 10 | 1 | 7 | 4.1 | CN(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(N(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL184582 | 73016 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 564 | 10 | 1 | 7 | 4.1 | CN(C)c1ccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccc(N(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 10153431 | 195108 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 643 | 9 | 3 | 7 | 5.7 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL500786 | 195108 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 643 | 9 | 3 | 7 | 5.7 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 11641253 | 65227 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 5.3 | CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683054 | 65227 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 464 | 5 | 1 | 3 | 5.3 | CC(C)[C@]1(C(=O)N2CC=C(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 53324140 | 65236 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683065 | 65236 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 89823656 | 133133 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650401 | 133133 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| 53318854 | 65243 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683072 | 65243 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.2 | COC[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 9852285 | 15032 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 634 | 7 | 3 | 6 | 5.8 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092434 | 15032 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 634 | 7 | 3 | 6 | 5.8 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3NC(=O)OC(C)(C)C)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 44415942 | 145459 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 8 | 2 | 3 | 5.7 | CC(O)C(CCN1CCC(c2ccc(F)cc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL377819 | 145459 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 534 | 8 | 2 | 3 | 5.7 | CC(O)C(CCN1CCC(c2ccc(F)cc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 53326700 | 65237 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683066 | 65237 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 495 | 6 | 1 | 4 | 5.0 | CC[C@@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 22143314 | 199981 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 8 | 3 | 5 | 3.1 | CSc1ccc(CNC2CCN(C(C)=O)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL523403 | 199981 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 522 | 8 | 3 | 5 | 3.1 | CSc1ccc(CNC2CCN(C(C)=O)CC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 122181236 | 128629 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589950 | 128629 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 588 | 8 | 1 | 4 | 6.3 | COc1ccc2c(c1)CCOC21CCN(CCC(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC1 | 10.1016/j.bmc.2015.02.019 | ||
| 44593561 | 19435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL1187238 | 19435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494580 | 19435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 44593561 | 19435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL1187238 | 19435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494580 | 19435 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44415992 | 87384 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215093 | 87384 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 52950180 | 26122 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290754 | 26122 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 44442576 | 100320 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 2.9 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246406 | 100320 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 522 | 10 | 4 | 5 | 2.9 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44423285 | 148944 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 7.0 | C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
| CHEMBL388380 | 148944 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 536 | 4 | 1 | 2 | 7.0 | C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
| 89823445 | 133129 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| CHEMBL3650398 | 133129 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| 57344295 | 137403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| CHEMBL3681872 | 137403 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| 23656067 | 155766 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL394228 | 155766 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 23656067 | 155766 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1021/jm070902b | ||
| CHEMBL394228 | 155766 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 481 | 5 | 1 | 2 | 5.7 | O=C(/C=C/c1cc(F)c(F)c(F)c1)N1CCC(CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1021/jm070902b | ||
| 86698131 | 133084 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
| CHEMBL3650354 | 133084 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 582 | 5 | 1 | 5 | 5.4 | O=C(O)c1cccc(C2CCN([C@H]3C[C@H]4CCC[C@@]4(C(=O)N4C[C@@H]5C[C@H]4CN5c4cc(C(F)(F)F)ccn4)C3)CC2)c1 | nan | ||
| 44439160 | 176176 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL442254 | 176176 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44439160 | 176176 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL442254 | 176176 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 580 | 11 | 4 | 6 | 4.9 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 25267738 | 100645 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 3.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL247949 | 100645 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 5 | 1 | 2 | 3.7 | C[N+](C)(Cc1ccc(NC(=O)c2ccccc2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 22311005 | 26754 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 5.1 | O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130318 | 26754 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 5.1 | O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44415864 | 87321 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 7 | 2 | 3 | 6.0 | CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214825 | 87321 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 554 | 7 | 2 | 3 | 6.0 | CC(O)C(CCN1CC[C@@]2(C=Cc3ccccc32)[C@@H](C)C1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 10164316 | 161571 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400196 | 161571 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 9 | 4 | 4 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 56683120 | 72581 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 6 | 2 | 7 | 3.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ncco4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834849 | 72581 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 476 | 6 | 2 | 7 | 3.5 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ncco4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44449229 | 101923 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 5.6 | CN(C)CC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255687 | 101923 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 538 | 7 | 1 | 3 | 5.6 | CN(C)CC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44453134 | 104840 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL273195 | 104840 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | O=C(CNC(=O)c1cccc(OC(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 11155781 | 80584 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 10 | 4 | 4 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018534 | 80584 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 10 | 4 | 4 | 4.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)Cc1nc2c(C(F)(F)F)cccc2[nH]1 | 10.1016/j.bmcl.2012.03.007 | ||
| 46241610 | 90345 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204252 | 90345 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 548 | 7 | 3 | 6 | 3.6 | CC(C)(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 71519381 | 93148 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL2313765 | 93148 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 89823417 | 133123 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
| CHEMBL3650392 | 133123 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
| 44442563 | 100509 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 3 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247211 | 100509 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 520 | 9 | 3 | 5 | 2.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)N2CCOCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57344221 | 75732 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
| CHEMBL1922819 | 75732 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 568 | 8 | 3 | 4 | 5.5 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc(OC(F)(F)F)cc2)CC1 | nan | ||
| 54772203 | 93366 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315931 | 93366 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 54771980 | 93369 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315934 | 93369 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 484 | 6 | 2 | 6 | 4.0 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 71190126 | 91676 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1007/s00044-010-9497-9 | ||
| CHEMBL2236475 | 91676 | 1 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1007/s00044-010-9497-9 | ||
| 56643545 | 137401 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681870 | 137401 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 57344303 | 137426 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681894 | 137426 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 11591776 | 152264 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL391459 | 152264 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11185 | 8772 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
| 25134303 | 8772 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
| CHEMBL2178573 | 8772 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
| DB16066 | 8772 | 42 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 2 | 6 | 4.4 | Cc1cnc(c(c1)NS(=O)(=O)c1ccc(c(c1)C(F)(F)F)Cl)C(=O)c1ncnc2c1cc[nH]2 | 10.1021/jm300682j | ||
| 11598084 | 81979 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036755 | 81979 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 474 | 6 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10162782 | 80481 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018370 | 80481 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 70691784 | 80482 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018371 | 80482 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 493 | 12 | 4 | 4 | 3.9 | CCCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 46241010 | 90359 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204266 | 90359 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 8 | 3 | 7 | 3.3 | CC(C)Oc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 49763568 | 72189 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829605 | 72189 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 503 | 6 | 2 | 5 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 56657930 | 72567 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834786 | 72567 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 7 | 2 | 6 | 4.6 | CN(C)c1cccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)c1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56683116 | 72580 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834799 | 72580 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 534 | 7 | 2 | 7 | 5.1 | CC(C)c1ncc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1 | 10.1016/j.bmcl.2011.08.074 | ||
| 89845031 | 116590 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233183 | 116590 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 533 | 8 | 1 | 6 | 2.8 | CC(C)N(C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(OC(F)(F)F)c3)C2=O)[C@H](CS(C)(=O)=O)C1 | 10.1016/j.bmcl.2014.02.013 | ||
| 9850318 | 102020 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL256154 | 102020 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44425646 | 92875 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231038 | 92875 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 6 | 1 | 2 | 7.1 | CCCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 53317027 | 65440 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 4 | 1 | 5 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684683 | 65440 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 4 | 1 | 5 | 3.2 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 44425645 | 92857 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230933 | 92857 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 528 | 5 | 1 | 2 | 7.0 | CC(C)[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 10162782 | 80481 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL2018370 | 80481 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 479 | 11 | 4 | 4 | 3.5 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 11591776 | 152264 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL391459 | 152264 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 525 | 6 | 2 | 3 | 5.2 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 24801690 | 104817 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL273083 | 104817 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 10008367 | 8803 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 777 | 8803 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289316 | 8803 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL2426341 | 8803 | 50 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 24801690 | 104817 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| CHEMBL273083 | 104817 | 25 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| 57656833 | 82004 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036782 | 82004 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 3 | 2 | 4 | 2.4 | CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 68767109 | 116589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 1 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CC[C@@H](N(C)C(C)C)C[C@H]3CS(C)(=O)=O)C2=O)cc1C(F)(F)F | 10.1016/j.bmcl.2014.02.013 | ||
| CHEMBL3233182 | 116589 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 531 | 7 | 1 | 5 | 3.3 | Cc1ccc(C(=O)N[C@H]2CCN([C@H]3CC[C@@H](N(C)C(C)C)C[C@H]3CS(C)(=O)=O)C2=O)cc1C(F)(F)F | 10.1016/j.bmcl.2014.02.013 | ||
| 57400451 | 77282 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946830 | 77282 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 539 | 9 | 3 | 5 | 3.6 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44425249 | 150300 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL389888 | 150300 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 9 | 2 | 5 | 6.8 | CC(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 11192346 | 8805 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 9032 | 8805 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| CHEMBL2029422 | 8805 | 57 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(N1CC[C@@H](C1)NC1CCC(CC1)(O)c1ccc(cn1)c1ncccn1)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/ml200199c | ||
| 10165625 | 80503 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018392 | 80503 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 536 | 13 | 5 | 5 | 4.3 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 44453365 | 104303 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270435 | 104303 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 465 | 7 | 4 | 6 | 2.0 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| 11227168 | 81325 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029569 | 81325 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 596 | 6 | 2 | 9 | 3.6 | O=C(C1CCN(c2nccc(C(F)(F)F)n2)CC1)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncccn4)cn3)CC2)C1 | 10.1021/ml200199c | ||
| 44573650 | 199989 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL523503 | 199989 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
| 44425648 | 175483 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL436796 | 175483 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 540 | 6 | 1 | 2 | 7.1 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44573649 | 194014 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492569 | 194014 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 67011331 | 81320 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029424 | 81320 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 557 | 7 | 3 | 7 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ncco4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 44593563 | 199889 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL522688 | 199889 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 508 | 7 | 2 | 3 | 5.9 | CCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 53324304 | 65238 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683067 | 65238 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 11387511 | 81316 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029419 | 81316 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4ccncc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 10167417 | 80500 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018389 | 80500 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 591 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)N1CCCC1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44583281 | 195014 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL499467 | 195014 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 626 | 9 | 3 | 6 | 4.5 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44425310 | 149136 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388868 | 149136 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 3 | 5 | 6.8 | CNC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 11285792 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| 68533031 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| 801 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| CHEMBL2110727 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| DB11758 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm300682j | ||
| 11285792 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 68533031 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 801 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| CHEMBL2110727 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| DB11758 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/jm0509703 | ||
| 11285792 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
| 68533031 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
| 801 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
| CHEMBL2110727 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
| DB11758 | 7666 | 34 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 696 | 17 | 1 | 7 | 8.7 | CCCCOCCOc1ccc(cc1)c1ccc2c(c1)C=C(CCCN2CC(C)C)C(=O)Nc1ccc(cc1)[S@@](=O)Cc1cncn1CCC | 10.1021/acs.jmedchem.9b01701 | ||
| 44573649 | 194014 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL492569 | 194014 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 548 | 6 | 2 | 3 | 6.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C(F)(F)F)C1 | 10.1007/s00044-010-9501-4 | ||
| 11534473 | 97474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239144 | 97474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.ejmech.2010.04.024 | ||
| 71552261 | 93374 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 6 | 3 | 7 | 4.8 | O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315939 | 93374 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 573 | 6 | 3 | 7 | 4.8 | O=C(CNc1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 11526729 | 161841 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL401744 | 161841 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2c(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c[nH]c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 44448776 | 162035 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 6 | 3 | 5 | 5.7 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL402801 | 162035 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 6 | 3 | 5 | 5.7 | COC(=O)c1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)Nc5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 57656825 | 81983 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036759 | 81983 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 394 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(F)c(Cl)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46241608 | 90344 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| CHEMBL2204251 | 90344 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 8 | 3 | 6 | 3.2 | CC(C)Oc1ccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml300260s | ||
| 46886482 | 15031 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 4 | 6 | 5.4 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1092433 | 15031 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 8 | 4 | 6 | 5.4 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 10482463 | 102237 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL257160 | 102237 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnn3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.ejmech.2017.04.046 | ||
| 11671120 | 96655 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237805 | 96655 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 6 | 2 | 3 | 5.3 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccc(F)cc23)CC1 | 10.1021/jm070902b | ||
| 22310995 | 27102 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130598 | 27102 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 3 | 2 | 3 | 4.3 | Nc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 17866152 | 130817 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 507 | 9 | 2 | 6 | 4.0 | CNc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL363059 | 130817 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 507 | 9 | 2 | 6 | 4.0 | CNc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395239 | 72927 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 9 | 1 | 3 | 4.7 | O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL184220 | 72927 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 412 | 9 | 1 | 3 | 4.7 | O=C(CCCC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| 46886056 | 15170 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 607 | 10 | 1 | 5 | 5.2 | CCCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1093318 | 15170 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 607 | 10 | 1 | 5 | 5.2 | CCCN(C(C)C)[C@@H]1CC[C@H](N2CC[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 11466237 | 81313 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1cccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml200199c | ||
| CHEMBL2029416 | 81313 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1cccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml200199c | ||
| 52944966 | 25812 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1288324 | 25812 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 9 | 2 | 4 | 5.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1OCc1ccccc1 | 10.1016/j.bmcl.2010.10.020 | ||
| 44573609 | 194332 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494542 | 194332 | 1 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 6 | 3 | 4 | 4.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2O)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 44593564 | 194011 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL492564 | 194011 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1007/s00044-010-9501-4 | ||
| 11296618 | 84419 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 632 | 9 | 2 | 6 | 6.3 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088384 | 84419 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 632 | 9 | 2 | 6 | 6.3 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccc(-c3cccs3)cc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 89823450 | 133124 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| CHEMBL3650393 | 133124 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| 56678497 | 72492 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 4.5 | O=C(COc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834581 | 72492 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 6 | 2 | 4 | 4.5 | O=C(COc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 54754845 | 72525 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 3 | 6 | 1.8 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834642 | 72525 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 452 | 6 | 3 | 6 | 1.8 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(N)=O)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44444102 | 100810 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 5 | 1 | 3 | 5.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248813 | 100810 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 472 | 5 | 1 | 3 | 5.8 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(CN2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44425321 | 92911 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231150 | 92911 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
| 11582651 | 81978 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036754 | 81978 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 424 | 5 | 1 | 3 | 4.3 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CC3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46944855 | 72208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829625 | 72208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 476 | 6 | 3 | 5 | 3.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccncc3O)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44439170 | 158700 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 16 | 1 | 5 | 8.6 | CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL396622 | 158700 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 608 | 16 | 1 | 5 | 8.6 | CCCCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44444107 | 161263 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 5 | 0 | 2 | 6.2 | O=C(/C=C/c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL399046 | 161263 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 500 | 5 | 0 | 2 | 6.2 | O=C(/C=C/c1ccc(Br)cc1)N1CCC(CN2CCC(c3ccc(Cl)cc3)CC2)CC1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44413311 | 84558 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL209171 | 84558 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 473 | 8 | 2 | 3 | 4.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 89823456 | 131189 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3639492 | 131189 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
| 11605985 | 97742 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239569 | 97742 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 11605985 | 97742 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239569 | 97742 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 514 | 13 | 1 | 4 | 6.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cccc(F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44416070 | 145671 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 623 | 8 | 4 | 4 | 4.0 | O=C1NCC(C(=O)NC(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL378258 | 145671 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 623 | 8 | 4 | 4 | 4.0 | O=C1NCC(C(=O)NC(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 | 10.1016/j.bmcl.2006.07.011 | ||
| 89823427 | 133088 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
| CHEMBL3650358 | 133088 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
| 11296325 | 84396 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088209 | 84396 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 596 | 9 | 2 | 6 | 5.3 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2NC(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1 | 10.1016/j.bmcl.2012.08.002 | ||
| 71530223 | 93147 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313764 | 93147 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 53320171 | 65250 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683079 | 65250 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 512 | 7 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC(C)C)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54756156 | 72559 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834779 | 72559 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 9 | 2 | 7 | 3.6 | C=CCn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](C(=O)OCC)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44453325 | 162320 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404269 | 162320 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 7 | 4 | 6 | 2.1 | COc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1O | 10.1016/j.bmcl.2008.02.015 | ||
| 56675300 | 72529 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 5 | 4 | 5 | 2.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834646 | 72529 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 411 | 5 | 4 | 5 | 2.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44442572 | 100317 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246403 | 100317 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 506 | 10 | 4 | 4 | 3.2 | CCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| 24801342 | 104391 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 | 10.1021/jm701488f | ||
| CHEMBL270957 | 104391 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 | 10.1021/jm701488f | ||
| 46240582 | 90348 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccnc1[C@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1021/ml300260s | ||
| CHEMBL2204255 | 90348 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 479 | 6 | 3 | 6 | 1.8 | Cn1ccnc1[C@]1(O)CC[C@H](N2CC(NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)CC1 | 10.1021/ml300260s | ||
| 57403877 | 77300 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 10 | 3 | 5 | 3.6 | CCCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1947043 | 77300 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 539 | 10 | 3 | 5 | 3.6 | CCCN[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2008.02.015 | ||
| 52950180 | 26122 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290754 | 26122 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 10 | 2 | 4 | 5.1 | CCCCO[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2010.10.020 | ||
| 89823537 | 133076 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650346 | 133076 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 10115566 | 104186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL269898 | 104186 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 3 | 3 | 4.3 | Cc1ccc(CN[C@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 56681842 | 72490 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.9 | O=C(Cn1[nH]c2ccc(C(F)(F)F)cc2c1=O)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834579 | 72490 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.9 | O=C(Cn1[nH]c2ccc(C(F)(F)F)cc2c1=O)NC1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 127025159 | 144129 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752915 | 144129 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 375 | 3 | 1 | 3 | 3.7 | C[C@H]1CC=C(C(=O)NS(C)(=O)=O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 56661444 | 72549 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834717 | 72549 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 614 | 6 | 3 | 8 | 5.1 | CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 23405932 | 100507 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247209 | 100507 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC(F)(F)F)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 89823506 | 133114 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650384 | 133114 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| 44573485 | 194500 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL495368 | 194500 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 127036603 | 144290 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc(C)c([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754155 | 144290 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 258 | 2 | 1 | 1 | 4.0 | Cc1ccc(C)c([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
| 24801346 | 168028 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 3 | 3 | 3.6 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL411935 | 168028 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 6 | 3 | 3 | 3.6 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 508749 | 73897 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 7 | 2 | 3 | 3.4 | Cc1cccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL187469 | 73897 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 7 | 2 | 3 | 3.4 | Cc1cccc(C(=O)NCC(=O)NCC2CCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 57656701 | 82006 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 2 | 1 | 4 | 1.9 | CN1CCN(C)C(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036784 | 82006 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 413 | 2 | 1 | 4 | 1.9 | CN1CCN(C)C(C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10225909 | 100736 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 9 | 4 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248417 | 100736 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 451 | 9 | 4 | 4 | 2.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57344222 | 137414 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | nan | ||
| CHEMBL3681882 | 137414 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1ccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)cc1 | nan | ||
| 44425649 | 92904 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 68004146 | 93363 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315928 | 93363 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 530 | 7 | 3 | 8 | 3.1 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNc4ncnc5ccc(C(F)(F)F)cc45)C3)CC2)n1 | 10.1016/j.bmcl.2012.12.017 | ||
| 54756045 | 72562 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834781 | 72562 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 510 | 7 | 3 | 8 | 2.3 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56671793 | 72570 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834789 | 72570 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 486 | 6 | 2 | 6 | 3.9 | Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4cccnc4)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 44573452 | 194386 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494770 | 194386 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 480 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 10427222 | 172520 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL424638 | 172520 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2cc(F)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 46886057 | 15171 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1093319 | 15171 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 639 | 9 | 1 | 6 | 5.5 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](N(C)C(C)C)CC[C@@H]2N2CCC(C)(NC(=O)c3cccc(C(F)(F)F)c3)C2=O)cc1 | 10.1016/j.bmcl.2010.03.035 | ||
| 72945827 | 112005 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115102 | 112005 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44442531 | 160724 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL398353 | 160724 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 478 | 10 | 4 | 4 | 2.5 | CCNC(=O)[C@@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 71519052 | 93170 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(OC(C)C)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314050 | 93170 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(OC(C)C)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 44442584 | 100326 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 12 | 4 | 4 | 4.0 | CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246413 | 100326 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 534 | 12 | 4 | 4 | 4.0 | CCCCc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11590644 | 128001 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 11 | 4 | 4 | 3.3 | CCC[C@H](O)[C@H](CNCC1CCCCC1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577931 | 128001 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 457 | 11 | 4 | 4 | 3.3 | CCC[C@H](O)[C@H](CNCC1CCCCC1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 72948000 | 112001 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115099 | 112001 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 6 | 2 | 6 | 3.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 46240585 | 90358 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204265 | 90358 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 524 | 7 | 3 | 6 | 3.6 | CC(C)c1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 44425643 | 92817 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230722 | 92817 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 4 | 1 | 2 | 6.3 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 70697571 | 84750 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL2096788 | 84750 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 7 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 57398651 | 77295 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 6 | 3 | 3 | 2.9 | CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1947039 | 77295 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 6 | 3 | 3 | 2.9 | CC(C)N[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44416273 | 145719 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL378449 | 145719 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 6 | 1 | 2 | 6.2 | O=C(CCCN1CCC2(C=Cc3ccccc32)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 90656015 | 117883 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 501 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2[S+]([O-])CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263262 | 117883 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 501 | 4 | 1 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2[S+]([O-])CC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 44413344 | 146116 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 8 | 2 | 4 | 4.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCOCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL379278 | 146116 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 8 | 2 | 4 | 4.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(NCCN1CCOCC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44353369 | 30015 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133168 | 30015 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 315 | 4 | 1 | 3 | 4.1 | COc1ccc(Cn2c(C(=O)O)cc3cc(Cl)ccc32)cc1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44612708 | 144214 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753526 | 144214 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@@H]1CC=C(C(=O)O)[C@@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 57344219 | 137412 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
| CHEMBL3681880 | 137412 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 545 | 8 | 4 | 5 | 4.8 | CCOC(=O)c1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
| 71517574 | 93162 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313779 | 93162 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 57656921 | 81988 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036764 | 81988 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 3.5 | O=C(Nc1ccc(Br)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46842383 | 15117 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092929 | 15117 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 4 | 3.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 72946010 | 112007 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115104 | 112007 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 71517573 | 93161 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313778 | 93161 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 483 | 4 | 2 | 6 | 2.3 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 57393530 | 77283 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1946831 | 77283 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 7 | 3 | 5 | 2.5 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44453372 | 162523 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL405633 | 162523 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 7 | 2 | 3 | 3.4 | CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 | 10.1016/j.bmcl.2008.02.015 | ||
| 71768798 | 117878 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C)(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263257 | 117878 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 497 | 4 | 1 | 6 | 3.1 | COC1COCCC1N[C@@H]1C[C@H]2OC(C)(C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 9851741 | 86968 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| CHEMBL213601 | 86968 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1021/jm060439n | ||
| 67774475 | 137436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 6 | 4 | 4 | 4.3 | Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1 | nan | ||
| CHEMBL3681903 | 137436 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 488 | 6 | 4 | 4 | 4.3 | Cc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5cccnc45)CC3)C(N)=O)CC2)c1 | nan | ||
| 44444105 | 100847 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 482 | 7 | 0 | 4 | 5.5 | COc1ccc(/C=C/C(=O)N2CCC(CN3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249009 | 100847 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 482 | 7 | 0 | 4 | 5.5 | COc1ccc(/C=C/C(=O)N2CCC(CN3CCC(c4ccc(Cl)cc4)CC3)CC2)cc1OC | 10.1016/j.bmcl.2007.07.065 | ||
| 44413158 | 86746 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 3.8 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL212674 | 86746 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 437 | 8 | 2 | 4 | 3.8 | CN(C)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccco1 | 10.1016/j.bmcl.2006.04.045 | ||
| 89823541 | 133101 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650371 | 133101 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
| 11699524 | 101885 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL255499 | 101885 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 5.1 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11605635 | 102239 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257173 | 102239 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 493 | 6 | 2 | 3 | 4.9 | O=C(/C=C/c1ccc(F)c(F)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11534473 | 97474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239144 | 97474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 594 | 14 | 1 | 5 | 8.0 | CCN(CC)CCCC(NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)C(C)C | 10.1016/j.bmcl.2006.10.060 | ||
| 54754969 | 72514 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834632 | 72514 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 515 | 6 | 3 | 6 | 4.2 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc4c(c3)OCO4)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 56675205 | 72569 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834788 | 72569 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 486 | 6 | 3 | 5 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4n[nH]c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44447783 | 101851 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL255312 | 101851 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 556 | 6 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 10325032 | 101890 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 3 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL255513 | 101890 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 541 | 6 | 1 | 3 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44447782 | 162092 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 570 | 7 | 1 | 3 | 7.4 | COc1cccc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL403033 | 162092 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 570 | 7 | 1 | 3 | 7.4 | COc1cccc(C2CCN([C@@H]3CC[C@@](C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)(C(C)C)C3)CC2)c1 | 10.1016/j.bmcl.2007.12.029 | ||
| 10392978 | 174238 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL429849 | 174238 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 558 | 6 | 2 | 5 | 5.3 | CC(C)(O)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cncnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 11421712 | 81318 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029421 | 81318 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 568 | 7 | 3 | 7 | 3.3 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cnccn4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 11365166 | 81319 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029423 | 81319 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 573 | 7 | 3 | 7 | 4.0 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4nccs4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 44593564 | 194011 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL492564 | 194011 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 2 | 3 | 5.3 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 22143293 | 194806 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497577 | 194806 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44453368 | 104543 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL271725 | 104543 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 449 | 6 | 4 | 5 | 2.3 | Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N | 10.1016/j.bmcl.2008.02.015 | ||
| 22143309 | 194720 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496959 | 194720 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 3.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 51039119 | 182996 | 33 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| CHEMBL4594419 | 182996 | 33 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 484 | 5 | 3 | 8 | 2.2 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3cc(C(C)(C)C)nn23)C1=O | 10.1021/acsmedchemlett.1c00373 | ||
| 53325639 | 65244 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683073 | 65244 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44580591 | 194638 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL496344 | 194638 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 9 | 4 | 6 | 3.1 | CCCN1CCC(NC(=O)c2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(N)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 44425649 | 92904 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231142 | 92904 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 554 | 6 | 1 | 2 | 7.5 | C[C@H]1CN(C2CCC(CC3CCC3)(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 22143293 | 194806 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497577 | 194806 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 11700079 | 156702 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 4.5 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
| CHEMBL394955 | 156702 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 618 | 8 | 3 | 5 | 4.5 | CS(=O)(=O)Nc1ccc2[nH]cc(C3CCN(C(C(=O)O)C4CCN(C(=O)/C=C/c5cc(F)c(F)c(F)c5)CC4)CC3)c2c1 | 10.1021/jm070902b | ||
| 10129343 | 180044 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL452509 | 180044 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 642 | 11 | 3 | 6 | 5.2 | CCN(CC)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)c1ccc(SC)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44425640 | 103704 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL266017 | 103704 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 5 | 1 | 2 | 7.6 | C[C@H]1CN(C2CCC(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44425309 | 149135 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388867 | 149135 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 8 | 2 | 5 | 7.0 | CC(=O)Nc1nc([C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 53324942 | 65452 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684701 | 65452 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ccccc2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 60148505 | 117887 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263268 | 117887 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 57335017 | 77113 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944776 | 77113 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 595 | 8 | 4 | 6 | 2.8 | N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 57391591 | 77115 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944778 | 77115 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.8 | CC(C)N[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCC2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 162668957 | 189539 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4790208 | 189539 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 495 | 5 | 3 | 7 | 3.1 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(C(C)(C)C)nc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 71768900 | 117891 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263272 | 117891 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 470 | 4 | 1 | 6 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2COc3ccc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 10209478 | 80496 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018385 | 80496 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 551 | 12 | 6 | 5 | 3.2 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC | 10.1016/j.bmcl.2012.03.007 | ||
| 10300284 | 80507 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018396 | 80507 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(N)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11752457 | 81314 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
| CHEMBL2029417 | 81314 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 3 | 5 | 3.2 | Cc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1021/ml200199c | ||
| 69285563 | 128006 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| CHEMBL3577936 | 128006 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 443 | 8 | 2 | 4 | 3.1 | COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/ml500505q | ||
| 44442561 | 100314 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 11 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246399 | 100314 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 504 | 11 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57344305 | 75714 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922797 | 75714 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 10207591 | 80192 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2016596 | 80192 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 507 | 10 | 4 | 4 | 4.1 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](O)CC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44571216 | 179431 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 757 | 11 | 5 | 8 | 6.3 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL449674 | 179431 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 757 | 11 | 5 | 8 | 6.3 | CSc1ccc(C(=O)NC2CCC(NC(=O)OCc3ccccc3)CC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)(C)C)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 67772854 | 137415 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 7 | 3 | 5 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 | nan | ||
| CHEMBL3681883 | 137415 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 542 | 7 | 3 | 5 | 4.4 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1 | nan | ||
| 44415957 | 87829 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215391 | 87829 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 22310876 | 123702 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL338495 | 123702 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 396 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 71519381 | 93148 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313765 | 93148 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 49763804 | 72199 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829616 | 72199 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 528 | 7 | 2 | 4 | 4.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(N4CCCC4)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44571258 | 190030 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.5 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL479643 | 190030 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 8 | 3 | 4 | 4.5 | CN(C)C1CCC(NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(NCc2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2008.12.062 | ||
| 44439163 | 97069 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL238518 | 97069 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1016/j.bmcl.2010.02.072 | ||
| 44453234 | 104247 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270182 | 104247 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 489 | 7 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(OC(F)(F)F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 127025462 | 144140 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 4 | 1 | 2 | 5.9 | CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753005 | 144140 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 404 | 4 | 1 | 2 | 5.9 | CC(C)(C)OC[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 86767119 | 136180 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
| CHEMBL3671252 | 136180 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)C12CCOC1CC(NC1CCOCC1)C2 | nan | ||
| 76314242 | 112030 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115268 | 112030 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44439163 | 97069 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238518 | 97069 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 12 | 4 | 7 | 4.7 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 46240482 | 90352 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204259 | 90352 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nccs3)CC2)C1 | 10.1021/ml300260s | ||
| 44447786 | 101889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL255511 | 101889 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 584 | 7 | 2 | 3 | 7.1 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 71768721 | 117896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263279 | 117896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 439 | 3 | 1 | 5 | 2.7 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2014.03.036 | ||
| 122178127 | 127998 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 12 | 4 | 4 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
| CHEMBL3577928 | 127998 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 541 | 12 | 4 | 4 | 4.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)CCc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
| 72946202 | 112017 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 5 | 1 | 6 | 2.5 | CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115114 | 112017 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 496 | 5 | 1 | 6 | 2.5 | CCN1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 54755083 | 72518 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834636 | 72518 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 3 | 6 | 3.1 | O=C(CNc1n[nH]c2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](n3ccccc3=O)CC2)C1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44425636 | 92723 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230078 | 92723 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 590 | 6 | 1 | 2 | 8.0 | C[C@H]1CN(C2CCC(CC3CC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44573412 | 194206 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL493780 | 194206 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 44453565 | 175786 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL439252 | 175786 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 439 | 6 | 2 | 3 | 3.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10138789 | 173288 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL427875 | 173288 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44573535 | 194217 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL493843 | 194217 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 44573535 | 194217 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL493843 | 194217 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 528 | 6 | 2 | 4 | 4.7 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCS(=O)(=O)CC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 11563597 | 98728 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL241462 | 98728 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 11563597 | 98728 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL241462 | 98728 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 632 | 13 | 1 | 4 | 8.7 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 57344315 | 75716 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | nan | ||
| CHEMBL1922799 | 75716 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 530 | 8 | 2 | 5 | 3.9 | COc1ccc(C2CCC(NC(C(N)=O)C3CCN(C(=O)/C=C/c4cc(F)c(F)c(F)c4)CC3)CC2)cn1 | nan | ||
| 72947595 | 111998 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115096 | 111998 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 4 | 2 | 6 | 1.5 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57656713 | 81980 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036756 | 81980 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 7 | 1 | 3 | 5.5 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(CCCc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 11711078 | 81995 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036773 | 81995 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 2.9 | CCN1CCO[C@@H](CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 10183362 | 80480 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018369 | 80480 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 10 | 4 | 4 | 3.1 | CC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10392559 | 161818 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccnnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| CHEMBL401609 | 161818 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 542 | 6 | 1 | 4 | 6.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CCC(c3ccnnc3)CC2)C1 | 10.1016/j.bmcl.2007.12.029 | ||
| 44425637 | 92762 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230405 | 92762 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 6 | 1 | 2 | 8.4 | C[C@H]1CN([C@@H]2CC[C@](CC3CCC3)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 44573412 | 194206 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL493780 | 194206 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 478 | 6 | 2 | 2 | 6.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCCCC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 24801523 | 104631 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL272168 | 104631 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 4 | 4.0 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 22310972 | 123556 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2c(-c3ccccc3)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL337720 | 123556 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2c(-c3ccccc3)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44395092 | 134065 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 4 | 7 | 2.9 | Cc1csc(C(=O)NNC(=O)CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL365853 | 134065 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 522 | 8 | 4 | 7 | 2.9 | Cc1csc(C(=O)NNC(=O)CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| 10208555 | 80487 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018376 | 80487 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 10208555 | 80487 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
| CHEMBL2018376 | 80487 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 527 | 11 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)Cc2ccccc2)c(C)c1 | 10.1021/ml500505q | ||
| 44395201 | 73195 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.5 | O=C(CCNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL185190 | 73195 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 413 | 8 | 2 | 3 | 3.5 | O=C(CCNC(=O)c1ccccc1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| 57344313 | 137435 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
| CHEMBL3681902 | 137435 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 4.1 | NC(=O)C(NC1CCC(c2c[nH]c3ccncc23)CC1)C1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 | nan | ||
| 44415927 | 87630 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215271 | 87630 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 512 | 9 | 1 | 2 | 6.8 | C=CC[C@H](CCN1CCC(c2ccccc2)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44453473 | 162318 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 2.8 | Nc1ccc(Br)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL404260 | 162318 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 464 | 6 | 3 | 4 | 2.8 | Nc1ccc(Br)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 25008678 | 100927 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249414 | 100927 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 486 | 7 | 1 | 3 | 6.2 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(Cl)cc(Cl)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11570431 | 98757 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL241502 | 98757 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 564 | 13 | 1 | 4 | 7.9 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44439173 | 97482 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 650 | 13 | 1 | 4 | 8.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239145 | 97482 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 650 | 13 | 1 | 4 | 8.8 | CCN(CC)CCCC(C)NC(=O)CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 52947417 | 26080 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290522 | 26080 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 490 | 6 | 3 | 5 | 2.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN(C2CCN(c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| 72946199 | 112010 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115107 | 112010 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 610 | 6 | 1 | 8 | 3.0 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 10206007 | 80483 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018372 | 80483 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 479 | 10 | 4 | 4 | 3.3 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@@H](O)C(C)C)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 11237168 | 81306 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029409 | 81306 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.5 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 10302973 | 100327 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 556 | 10 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246415 | 100327 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 556 | 10 | 4 | 4 | 3.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44442589 | 100546 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 11 | 5 | 6 | 4.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247439 | 100546 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 11 | 5 | 6 | 4.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)OC(C)C)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44423281 | 148893 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
| CHEMBL388308 | 148893 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 498 | 5 | 1 | 2 | 6.4 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCC(N2CCC(c3ccccc3)CC2)C1 | 10.1021/jm070166b | ||
| 44425641 | 92841 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230832 | 92841 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 596 | 6 | 1 | 3 | 7.5 | CSC[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 86698129 | 133082 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650352 | 133082 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 46240481 | 90361 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204269 | 90361 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncnc3)CC2)C1 | 10.1021/ml300260s | ||
| 56668313 | 72565 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 535 | 8 | 2 | 7 | 4.5 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C4CCCC4)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834784 | 72565 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 535 | 8 | 2 | 7 | 4.5 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C4CCCC4)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44353370 | 30538 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 3.9 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133569 | 30538 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 330 | 4 | 1 | 4 | 3.9 | O=C(O)c1cc2cc(Cl)ccc2n1Cc1cccc([N+](=O)[O-])c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 11678573 | 97414 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL238936 | 97414 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 53324141 | 65241 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683070 | 65241 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 511 | 7 | 1 | 5 | 4.3 | CCO[C@H]1COCC[C@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 11340816 | 81310 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ncccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029413 | 81310 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ncccn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 10182382 | 100737 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL248418 | 100737 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 9 | 4 | 4 | 1.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(N)=O)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 11678573 | 97414 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL238936 | 97414 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 566 | 13 | 1 | 5 | 7.4 | CCN(CC)CCCC(C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44395055 | 71278 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL181432 | 71278 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 453 | 6 | 2 | 3 | 3.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44415995 | 86827 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL212972 | 86827 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
| 23656260 | 95847 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.8 | COc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
| CHEMBL236509 | 95847 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.8 | COc1ccc(/C=C/C(=O)N2CCC(C(C(=O)O)N3CCC(c4c[nH]c5ccccc45)CC3)CC2)cc1 | 10.1021/jm070902b | ||
| 46842382 | 15115 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092920 | 15115 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(F)cc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 508744 | 72989 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL184474 | 72989 | 1 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 7 | 2 | 3 | 2.9 | O=C(CNC(=O)c1ccccc1)NCC1CCCN1Cc1ccc(Cl)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 127025160 | 144203 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 4.6 | C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753428 | 144203 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 429 | 3 | 1 | 3 | 4.6 | C[C@H]1CC=C(C(=O)NS(=O)(=O)C(F)(F)F)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 57344316 | 75709 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922792 | 75709 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 7 | 4 | 4 | 5.0 | O=C(NO)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 57344230 | 137420 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 | nan | ||
| CHEMBL3681888 | 137420 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 4 | 3 | 4.7 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)cc2)CC1 | nan | ||
| 11080 | 35858 | 79 | None | -1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| CHEMBL1381098 | 35858 | 79 | None | -1 | 6 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| 9851741 | 86968 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL213601 | 86968 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 1 | 2 | 8.0 | C[C@H]1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425654 | 93005 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231247 | 93005 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 3 | 6.4 | CS[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 53321484 | 65251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683080 | 65251 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 510 | 7 | 1 | 6 | 3.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](CC2CC2)(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 44442580 | 100322 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246409 | 100322 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 537 | 10 | 4 | 6 | 2.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] | 10.1016/j.bmcl.2007.07.028 | ||
| 44413310 | 145737 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 475 | 10 | 2 | 3 | 5.0 | CCN(CC)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL378517 | 145737 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 475 | 10 | 2 | 3 | 5.0 | CCN(CC)CCNC(C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 72948004 | 112035 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115273 | 112035 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57656719 | 81991 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036767 | 81991 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 54580189 | 69343 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 505 | 6 | 1 | 8 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782575 | 69343 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 505 | 6 | 1 | 8 | 2.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nc(C(F)(F)F)ns3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 23656433 | 95538 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL236269 | 95538 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cccc(Cl)c2Cl)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 72945830 | 112004 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115101 | 112004 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 526 | 4 | 1 | 7 | 2.2 | COC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 67220645 | 82005 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036783 | 82005 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 1.6 | CN1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 127027955 | 144031 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 278 | 2 | 1 | 1 | 4.3 | Cc1cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)ccc1Cl | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3751958 | 144031 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 278 | 2 | 1 | 1 | 4.3 | Cc1cc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)ccc1Cl | 10.1016/j.bmcl.2015.11.051 | ||
| 44415898 | 87896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215654 | 87896 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 11478362 | 80582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 547 | 11 | 4 | 4 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018532 | 80582 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 547 | 11 | 4 | 4 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 44453592 | 166834 | 24 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL410829 | 166834 | 24 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 405 | 6 | 2 | 3 | 2.8 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44442582 | 100324 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246411 | 100324 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 536 | 10 | 4 | 5 | 3.3 | COc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1C | 10.1016/j.bmcl.2007.07.028 | ||
| 9952114 | 131162 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL363908 | 131162 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 385 | 6 | 2 | 3 | 2.8 | Cc1cccc(C(=O)NCC(=O)NC2CCN(Cc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 71518408 | 93178 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.2 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314058 | 93178 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 449 | 3 | 1 | 3 | 5.2 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCCCCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 54772206 | 93365 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 7 | 2 | 7 | 4.0 | COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315930 | 93365 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 7 | 2 | 7 | 4.0 | COc1cnccc1[C@H]1CC[C@@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2012.12.017 | ||
| 54772204 | 93367 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 3 | 7 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315932 | 93367 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 3 | 7 | 3.7 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccc(O)cn3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 54772205 | 93370 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 4.3 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3O)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315935 | 93370 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 499 | 6 | 3 | 6 | 4.3 | O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@H](c3ccccc3O)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 72663455 | 136179 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671251 | 136179 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 11599317 | 102335 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257628 | 102335 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | COc1ccc2[nH]cc(C3CCN(C(CO)C4CCN(C(=O)/C=C/c5ccc(Cl)c(Cl)c5)CC4)CC3)c2c1 | 10.1016/j.bmcl.2008.05.010 | ||
| 53324304 | 65238 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683067 | 65238 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 497 | 6 | 1 | 5 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 10228435 | 80492 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018381 | 80492 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 494 | 11 | 5 | 5 | 3.1 | CCC[C@@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2012.03.007 | ||
| 46927117 | 72202 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829619 | 72202 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 7 | 2 | 5 | 3.4 | COc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1016/j.bmcl.2011.06.080 | ||
| 56661451 | 72572 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834791 | 72572 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 4.2 | Cc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44573699 | 194453 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL495151 | 194453 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 6 | 2 | 3 | 5.8 | CC1COCC(C)C1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 11306757 | 80512 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018401 | 80512 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 508 | 12 | 5 | 5 | 4.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(NC)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 57391765 | 77790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951774 | 77790 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3cccnn3)CC2)C1 | 10.1021/ml200030q | ||
| 44425244 | 158583 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 594 | 7 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL396517 | 158583 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 594 | 7 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 23630215 | 69318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782376 | 69318 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 5 | 1 | 5 | 4.3 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2C3CCCC2COC3)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10120067 | 80504 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018393 | 80504 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 12 | 5 | 5 | 4.7 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(C)(C)C | 10.1016/j.bmcl.2012.03.007 | ||
| 52943756 | 26062 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1290412 | 26062 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 6 | 3 | 4 | 3.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CN([C@H]2CC[C@@H](c3ccccc3)CC2)C[C@@H]1O | 10.1016/j.bmcl.2010.10.020 | ||
| 44425274 | 157637 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 7.4 | CC(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL395721 | 157637 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 640 | 10 | 2 | 5 | 7.4 | CC(C)C(=O)Nc1nc(C(CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 24801690 | 104817 | 25 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| CHEMBL273083 | 104817 | 25 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 593 | 9 | 5 | 5 | 4.5 | CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)NC(C)C)cc1 | 10.1021/jm701488f | ||
| 44425647 | 92876 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL231039 | 92876 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 542 | 6 | 1 | 2 | 7.4 | CC(C)C[C@]1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44423282 | 92049 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 4 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
| CHEMBL226017 | 92049 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 4 | 1 | 2 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1CC[C@@H](N2CCC3(C=Cc4ccccc43)CC2)C1 | 10.1021/jm070166b | ||
| 162648673 | 186729 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| CHEMBL4746510 | 186729 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 3 | 7 | 3.4 | CC(=O)N[C@@H]1C[C@H](NC(C)(C)C)CC[C@@H]1N1CC[C@H](Nc2ncnc3ccc(OC(F)(F)F)cc23)C1=O | 10.1021/acsmedchemlett.1c00082 | ||
| 44425633 | 92816 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230721 | 92816 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 5 | 1 | 2 | 7.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44570718 | 190612 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL480621 | 190612 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 533 | 9 | 4 | 5 | 3.2 | CC(=O)Nc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 11621035 | 161447 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 559 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL399616 | 161447 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 559 | 6 | 2 | 3 | 5.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3cc(Cl)ccc23)CC1 | 10.1021/jm070902b | ||
| 10052388 | 194331 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494541 | 194331 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 7 | 2 | 3 | 5.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2C2CC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 57391768 | 77788 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
| CHEMBL1951772 | 77788 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 491 | 6 | 3 | 6 | 2.2 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN([C@H]2CC[C@@](O)(c3ccncn3)CC2)C1 | 10.1021/ml200030q | ||
| 44573608 | 194330 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494540 | 194330 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 8 | 2 | 3 | 6.3 | CCCC1COCCC1N[C@@H]1CC[C@@](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(C(C)C)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 11180383 | 84398 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| CHEMBL2088211 | 84398 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 8 | 2 | 5 | 4.6 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)Cc2nc3cccc(C(F)(F)F)c3[nH]2)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2012.08.002 | ||
| 22143294 | 200205 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL526091 | 200205 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 551 | 11 | 4 | 6 | 3.9 | CCCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 49763686 | 72198 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829615 | 72198 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 503 | 7 | 3 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@H](c3ccc(C(=O)O)cc3)CC2)C1 | 10.1016/j.bmcl.2011.06.080 | ||
| 508750 | 175314 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL435499 | 175314 | 1 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 467 | 7 | 2 | 3 | 4.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NCC1CCN(Cc2ccc(Cl)cc2)CC1 | 10.1016/j.bmcl.2004.08.009 | ||
| 127028586 | 144285 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 264 | 2 | 1 | 1 | 4.0 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3754119 | 144285 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 264 | 2 | 1 | 1 | 4.0 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 11844468 | 146374 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
| CHEMBL379742 | 146374 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 566 | 9 | 1 | 2 | 8.3 | C[C@@H]1CN(CC[C@H](CNCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CC[C@@H]1c1ccccc1 | 10.1021/jm060439n | ||
| 44395088 | 73945 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL187701 | 73945 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 514 | 8 | 1 | 5 | 4.2 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 10209102 | 100313 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 11 | 4 | 4 | 3.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246398 | 100313 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 540 | 11 | 4 | 4 | 3.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NCc2ccccc2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57344320 | 137421 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681889 | 137421 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 527 | 6 | 4 | 3 | 5.0 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 72948001 | 111999 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115097 | 111999 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 46241611 | 90340 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
| CHEMBL2204247 | 90340 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 506 | 7 | 3 | 6 | 2.5 | COc1cccc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)n1 | 10.1021/ml300260s | ||
| 57344232 | 137422 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 519 | 7 | 4 | 4 | 5.3 | CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
| CHEMBL3681890 | 137422 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 519 | 7 | 4 | 4 | 5.3 | CSc1cccc(NC(=O)N2CCC(C(NC3CCC(c4c[nH]c5ccccc45)CC3)C(N)=O)CC2)c1 | nan | ||
| 44395126 | 72187 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL182958 | 72187 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44395126 | 72187 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL182958 | 72187 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 494 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3ccccc3)c3cccc(O)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.009 | ||
| 57656915 | 81994 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 4 | 1 | 3 | 2.7 | O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036772 | 81994 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 342 | 4 | 1 | 3 | 2.7 | O=C(Nc1ccccc1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 11341950 | 80581 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 4 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018531 | 80581 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 557 | 11 | 4 | 4 | 4.8 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CC(=O)Nc1cc(Br)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 42632836 | 100161 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245696 | 100161 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 68004094 | 93376 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315941 | 93376 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 6 | 3 | 7 | 3.8 | O=C(CNc1ccnc2ccc(C(F)(F)F)cc12)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1016/j.bmcl.2012.12.017 | ||
| 57396900 | 77297 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1947040 | 77297 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 399 | 6 | 2 | 3 | 3.2 | CC(C)N(C)[C@H]1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)CC1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44416041 | 87207 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214647 | 87207 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 8 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC(c2ccc(F)cc2)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44416015 | 87908 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215689 | 87908 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 538 | 7 | 1 | 2 | 7.1 | CC(C)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44413144 | 145997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL378784 | 145997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44413144 | 145997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL378784 | 145997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 23656434 | 96393 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL237538 | 96393 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 528 | 5 | 3 | 3 | 6.1 | O=C(O)C(C1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 44442569 | 100510 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 556 | 10 | 4 | 6 | 2.0 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247213 | 100510 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 556 | 10 | 4 | 6 | 2.0 | CC(C)(C)NC(=O)[C@H](CNCc1ccc(S(C)(=O)=O)cc1)NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44415958 | 87274 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL214747 | 87274 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 7 | 1 | 2 | 8.0 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC2(C=Cc3ccccc32)CC1)C1CCCCC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 11563451 | 158697 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL396621 | 158697 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44453533 | 104656 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 6 | 3 | 4 | 2.7 | Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272330 | 104656 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 420 | 6 | 3 | 4 | 2.7 | Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10008367 | 8803 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 777 | 8803 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289316 | 8803 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL2426341 | 8803 | 50 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 11563451 | 158697 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL396621 | 158697 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 608 | 15 | 1 | 5 | 8.4 | CCN(CC)CCCC(CC(C)C)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44425321 | 92911 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231150 | 92911 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 740 | 10 | 2 | 5 | 9.0 | CC(C(=O)Nc1nc(C(CCN2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1)c1ccccc1 | 10.1016/j.bmcl.2006.10.059 | ||
| 44425651 | 149955 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL389610 | 149955 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 56643545 | 137402 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| CHEMBL3681871 | 137402 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 7 | 3 | 3 | 4.9 | NC(=O)C(N[C@H]1CC[C@@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)cc(F)c2)CC1 | nan | ||
| 10025168 | 73760 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL186855 | 73760 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| 10025168 | 73760 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL186855 | 73760 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 420 | 5 | 2 | 5 | 2.7 | Cc1csc(C(=O)NNC(=O)CN2CCCN(Cc3ccc(Cl)cc3)CC2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 44395036 | 131830 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL364405 | 131830 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 399 | 7 | 2 | 3 | 3.2 | O=C(CCNC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 127027625 | 144032 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 2 | 1 | 1 | 5.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3751959 | 144032 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 2 | 1 | 1 | 5.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 22143293 | 194806 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL497577 | 194806 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 495 | 8 | 5 | 6 | 2.4 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 57343816 | 137405 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 | nan | ||
| CHEMBL3681874 | 137405 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.6 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1 | nan | ||
| 53320974 | 65466 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 464 | 4 | 1 | 4 | 2.8 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684715 | 65466 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 464 | 4 | 1 | 4 | 2.8 | CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)N2CCCCC2)CC[C@@H](NC2CCOCC2F)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 57344314 | 75705 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922788 | 75705 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 5.7 | COC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 44442564 | 100315 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL246400 | 100315 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 492 | 9 | 4 | 4 | 2.9 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)cc1 | 10.1016/j.bmcl.2007.07.028 | ||
| 46842236 | 14639 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1089849 | 14639 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 598 | 8 | 2 | 4 | 4.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44413411 | 84513 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL209002 | 84513 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.4 | CC1CCN(CCN[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44453507 | 175757 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL439062 | 175757 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 531 | 7 | 2 | 3 | 5.6 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccccc2-c2ccc3ccccc3c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 69286108 | 128011 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
| CHEMBL3577941 | 128011 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 9 | 2 | 4 | 4.5 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)[C@H](COc2ccccc2)C1 | 10.1021/ml500505q | ||
| 71518574 | 93166 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313784 | 93166 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 3.3 | COC1COCCC1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 89823496 | 133093 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650363 | 133093 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
| 89823439 | 133077 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650347 | 133077 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 44573568 | 194249 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494019 | 194249 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1007/s00044-010-9501-4 | ||
| 44439164 | 97548 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL239169 | 97548 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 44439164 | 97548 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL239169 | 97548 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 610 | 13 | 4 | 7 | 5.1 | COC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44573650 | 199989 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL523503 | 199989 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 564 | 6 | 3 | 4 | 5.2 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOCC2(O)C(F)(F)F)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 10323468 | 194451 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL495149 | 194451 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 494 | 6 | 2 | 3 | 5.7 | CC1CC(N[C@@H]2CC[C@@](C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(C)C)C2)CCO1 | 10.1007/s00044-010-9501-4 | ||
| 72948001 | 111999 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115097 | 111999 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 4 | 2 | 6 | 1.8 | CNC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44573568 | 194249 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494019 | 194249 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 72947593 | 112015 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115112 | 112015 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44413144 | 145997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL378784 | 145997 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 465 | 8 | 2 | 3 | 4.4 | CN(C)CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44442544 | 100541 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.6 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247407 | 100541 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 4 | 3.6 | Cc1ccc(CNCC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 44353190 | 123344 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL336421 | 123344 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 349 | 4 | 1 | 3 | 4.7 | COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
| 46240785 | 90357 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| CHEMBL2204264 | 90357 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 7 | 3 | 6 | 3.1 | CCc1ncc([C@]2(O)CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)s1 | 10.1021/ml300260s | ||
| 72947593 | 112015 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115112 | 112015 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 468 | 4 | 2 | 6 | 1.7 | COC1COCCC1N[C@@H]1C[C@H]2CNC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 70692344 | 81973 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036749 | 81973 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 2 | 3 | 3.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CC2CCCNC2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 11844083 | 84768 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 8 | 1 | 3 | 6.9 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCN1c1ccccc1 | 10.1021/jm060439n | ||
| CHEMBL209696 | 84768 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 8 | 1 | 3 | 6.9 | CC1CN(CC[C@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccc(F)cc2)CCN1c1ccccc1 | 10.1021/jm060439n | ||
| 44395238 | 130623 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL362536 | 130623 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 406 | 6 | 3 | 5 | 2.3 | Cc1csc(C(=O)NNC(=O)CN2CCC(NCc3ccc(Cl)cc3)C2)c1 | 10.1016/j.bmcl.2004.08.009 | ||
| 42632830 | 100160 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL245694 | 100160 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 407 | 5 | 1 | 2 | 5.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 44416156 | 87927 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 657 | 8 | 1 | 4 | 6.1 | CS(=O)(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215768 | 87927 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 657 | 8 | 1 | 4 | 6.1 | CS(=O)(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
| 24801345 | 104630 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| CHEMBL272167 | 104630 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 475 | 6 | 3 | 3 | 3.9 | Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 | 10.1021/jm701488f | ||
| 44453171 | 102512 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL258364 | 102512 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 449 | 6 | 2 | 3 | 3.2 | O=C(CNC(=O)c1cccc(Br)c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10300705 | 104674 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 5.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl | 10.1021/jm701488f | ||
| CHEMBL272407 | 104674 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 501 | 7 | 3 | 3 | 5.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1Cl | 10.1021/jm701488f | ||
| 53325639 | 65244 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683073 | 65244 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 498 | 6 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 57402059 | 77117 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944780 | 77117 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 44425319 | 93110 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL231340 | 93110 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 727 | 10 | 2 | 6 | 7.9 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3ccccn3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 46241011 | 90350 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 6 | 3 | 7 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nncs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204257 | 90350 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 483 | 6 | 3 | 7 | 1.9 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3nncs3)CC2)C1 | 10.1021/ml300260s | ||
| 44444114 | 100984 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 6 | 1 | 2 | 5.4 | O=C(/C=C/c1cc(F)cc(F)c1)NC1CCC(CN2CCC(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249811 | 100984 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 460 | 6 | 1 | 2 | 5.4 | O=C(/C=C/c1cc(F)cc(F)c1)NC1CCC(CN2CCC(c3ccc(F)c(F)c3)CC2)C1 | 10.1016/j.bmcl.2007.07.065 | ||
| 24801180 | 104816 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| CHEMBL273079 | 104816 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| 122181145 | 128611 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589840 | 128611 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 6.1 | CC1Cc2ccccc2C2(CCN(CCCC(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 44395232 | 73772 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 9 | 1 | 6 | 3.9 | COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL186913 | 73772 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 508 | 9 | 1 | 6 | 3.9 | COc1cccc(C(O)(CCN2CCCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)c2ccccc2)c1 | 10.1016/j.bmcl.2004.08.008 | ||
| 71518727 | 93182 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314064 | 93182 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.1 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCCC[C@@H]1C[C@@H](NC1CCOCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 57656808 | 81998 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.4 | CCN1CCNC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036776 | 81998 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 399 | 4 | 2 | 4 | 2.4 | CCN1CCNC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 54768838 | 93372 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1nc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
| CHEMBL2315937 | 93372 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 6 | 3 | 8 | 3.5 | Cc1nc(NCC(=O)NC2CN([C@H]3CC[C@@](O)(c4cncs4)CC3)C2)c2cc(C(F)(F)F)ccc2n1 | 10.1016/j.bmcl.2012.12.017 | ||
| 57344295 | 137403 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| CHEMBL3681872 | 137403 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 541 | 6 | 4 | 3 | 5.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| 57344303 | 137426 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681894 | 137426 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 44425635 | 160311 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL398000 | 160311 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 592 | 6 | 1 | 2 | 8.2 | CC(C)C[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 44413076 | 146926 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 9 | 1 | 3 | 5.0 | CN(C)CCCN(C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL380258 | 146926 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 475 | 9 | 1 | 3 | 5.0 | CN(C)CCCN(C)[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 44425652 | 175547 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL437359 | 175547 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 526 | 5 | 1 | 2 | 6.7 | C[C@H]1CN([C@@H]2CC[C@@](C(=O)NCc3cc(F)cc(C(F)(F)F)c3)(C3CC3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 10312346 | 195241 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL502795 | 195241 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 614 | 9 | 3 | 6 | 4.4 | CSc1ccc(S(=O)(=O)C[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N(C)C)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 50991056 | 69340 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782572 | 69340 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)cnn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10218843 | 179565 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| CHEMBL451340 | 179565 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 633 | 11 | 3 | 6 | 5.1 | CSc1ccc(S(=O)(=O)C[C@@H]2C[C@H](NCc3ccccc3)CC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2009.05.041 | ||
| 44425651 | 149955 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL389610 | 149955 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 530 | 6 | 1 | 3 | 6.0 | COCC1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 53319664 | 65451 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| CHEMBL1684700 | 65451 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 461 | 6 | 1 | 5 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCCC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.052 | ||
| 53322810 | 65246 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1683075 | 65246 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 1 | 7 | 2.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 44593561 | 19435 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL1187238 | 19435 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494580 | 19435 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 452 | 6 | 2 | 3 | 4.5 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2COC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 71768689 | 117888 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263269 | 117888 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 22143346 | 179430 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL449672 | 179430 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 634 | 11 | 4 | 6 | 4.5 | CCCN1CCC(NCc2ccc(SC)cc2)C(NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)N2CCCC2)C1 | 10.1016/j.bmcl.2008.07.123 | ||
| 54580188 | 69341 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782573 | 69341 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 504 | 6 | 1 | 7 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3ncc(C(F)(F)F)s3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 11606702 | 152532 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL391662 | 152532 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.ejmech.2010.04.024 | ||
| 44449175 | 102281 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 2 | 3 | 5.2 | CC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257351 | 102281 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 552 | 7 | 2 | 3 | 5.2 | CC(=O)NCC(C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 49763685 | 72197 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 7 | 2 | 5 | 3.7 | COC(=O)c1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829614 | 72197 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 517 | 7 | 2 | 5 | 3.7 | COC(=O)c1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44612590 | 144248 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753813 | 144248 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 298 | 2 | 1 | 1 | 4.7 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(Cl)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 44415899 | 86849 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL213058 | 86849 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 550 | 7 | 1 | 2 | 7.1 | C[C@H]1CN(CC[C@@H](C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 11844212 | 105425 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL277279 | 105425 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1016/j.bmcl.2006.07.011 | ||
| 44415995 | 86827 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL212972 | 86827 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 621 | 7 | 1 | 3 | 6.7 | CC(=O)N1CCCC(C(CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2006.07.011 | ||
| 25007995 | 161650 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL400680 | 161650 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@@H]3CC[C@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 11844212 | 105425 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL277279 | 105425 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 590 | 7 | 1 | 2 | 7.7 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 11662833 | 95963 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 471 | 6 | 2 | 3 | 4.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| CHEMBL236721 | 95963 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 471 | 6 | 2 | 3 | 4.8 | O=C(O)C(C1CCN(C(=O)/C=C/c2ccccc2)CC1)N1CCC(c2c[nH]c3ccccc23)CC1 | 10.1021/jm070902b | ||
| 122181235 | 128628 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL3589949 | 128628 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 572 | 7 | 1 | 3 | 6.7 | CC1Cc2ccccc2C2(CCN(CCC(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1 | 10.1016/j.bmc.2015.02.019 | ||
| 44416125 | 87696 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 5.5 | COC(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215333 | 87696 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 5.5 | COC(=O)NC(CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 57344300 | 137423 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 6 | 4 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681891 | 137423 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 509 | 6 | 4 | 3 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)Nc2ccc(F)c(F)c2)CC1 | nan | ||
| 71517577 | 93145 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313762 | 93145 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 510 | 5 | 1 | 6 | 2.9 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](N(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 76314234 | 112000 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115098 | 112000 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 5 | 2 | 6 | 2.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)NC(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 44425318 | 157090 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL395289 | 157090 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 732 | 10 | 2 | 6 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)Cc3cccs3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 90656021 | 117893 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2nccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| CHEMBL3263274 | 117893 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 511 | 5 | 1 | 8 | 1.6 | COC1COCCC1N[C@@H]1C[C@H]2OCC[C@@]2(C(=O)N2CC3CC2CN3c2nccc(C(F)(F)F)n2)C1 | 10.1016/j.bmcl.2014.03.036 | ||
| 89823460 | 133117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650387 | 133117 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)cc(C(F)(F)F)c2)C1 | nan | ||
| 72946200 | 112009 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115106 | 112009 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 570 | 7 | 1 | 8 | 2.2 | COCCOC(=O)N1C[C@@H]2C[C@@H](NC3CCOCC3OC)C[C@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 56668309 | 72550 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834718 | 72550 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 558 | 6 | 3 | 8 | 3.6 | NC(=O)n1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](c4ccc5c(c4)OCO5)CC3)C2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.08.074 | ||
| 127028591 | 144232 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.8 | Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753683 | 144232 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.8 | Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C | 10.1016/j.bmcl.2015.11.051 | ||
| 89823691 | 133096 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 5 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 | nan | ||
| CHEMBL3650366 | 133096 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 526 | 5 | 1 | 6 | 3.4 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)c2F)C1 | nan | ||
| 11843812 | 86679 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL212423 | 86679 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 57344307 | 137429 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681897 | 137429 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 4.4 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccncc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 89823344 | 133128 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650397 | 133128 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| 11843812 | 86679 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1021/jm060439n | ||
| CHEMBL212423 | 86679 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 563 | 9 | 2 | 3 | 6.6 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](NCCN1CCC(c2ccccc2)CC1)c1ccccc1 | 10.1021/jm060439n | ||
| 89823453 | 133135 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 464 | 3 | 0 | 5 | 3.2 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCOCC1)C2 | nan | ||
| CHEMBL3650403 | 133135 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 464 | 3 | 0 | 5 | 3.2 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCOCC1)C2 | nan | ||
| 508729 | 102310 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257510 | 102310 | 1 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.4 | O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 46884855 | 15075 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1092656 | 15075 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 548 | 8 | 2 | 4 | 3.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCC2CCN(C(=O)c3cccc(F)c3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 44413399 | 86304 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL211404 | 86304 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 501 | 8 | 2 | 3 | 5.5 | CC1CCCCN1CCN[C@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 | 10.1016/j.bmcl.2006.04.045 | ||
| 70687886 | 81305 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 3 | 4.7 | CN([C@H]1CC[C@@H](c2ccccc2)CC1)[C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1021/ml200199c | ||
| CHEMBL2029408 | 81305 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 487 | 6 | 1 | 3 | 4.7 | CN([C@H]1CC[C@@H](c2ccccc2)CC1)[C@H]1CCN(C(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1021/ml200199c | ||
| 44573451 | 194346 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
| CHEMBL494591 | 194346 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1007/s00044-010-9501-4 | ||
| 25008849 | 100955 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL249609 | 100955 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 472 | 7 | 1 | 3 | 5.3 | COc1ccc(C2CCN(C[C@H]3CC[C@@H](NC(=O)/C=C/c4cc(F)c(F)c(F)c4)C3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 46945255 | 72210 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1016/j.bmcl.2011.06.080 | ||
| CHEMBL1829627 | 72210 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 475 | 6 | 3 | 5 | 2.9 | Nc1ccc([C@H]2CC[C@H](N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)nc1 | 10.1016/j.bmcl.2011.06.080 | ||
| 44573451 | 194346 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| CHEMBL494591 | 194346 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 466 | 6 | 2 | 3 | 4.9 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCOC2)C1 | 10.1016/j.bmcl.2008.12.050 | ||
| 11690139 | 82000 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036778 | 82000 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 412 | 3 | 1 | 3 | 3.4 | CCN1CCC[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44415957 | 87829 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215391 | 87829 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 | 10.1016/j.bmcl.2006.07.011 | ||
| 70683619 | 81303 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029406 | 81303 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 473 | 6 | 2 | 3 | 4.4 | O=C(NCC(=O)N1CC[C@@H](N[C@H]2CC[C@@H](c3ccccc3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 22310850 | 123585 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2cc(-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL337857 | 123585 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 395 | 4 | 1 | 2 | 6.4 | O=C(O)c1cc2cc(-c3ccccc3)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 44413137 | 85667 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL211292 | 85667 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 8 | 2 | 4 | 4.3 | CN(C)CCN[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccs1 | 10.1016/j.bmcl.2006.04.045 | ||
| 72947191 | 112037 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115275 | 112037 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 600 | 7 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)CCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 67774197 | 137430 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| CHEMBL3681898 | 137430 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 542 | 6 | 4 | 4 | 5.3 | NC(=O)C(NC1CCC(c2c[nH]c3cccnc23)CC1)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | nan | ||
| 72946013 | 112036 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115274 | 112036 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 560 | 4 | 1 | 6 | 2.4 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 10207542 | 80494 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 9 | 5 | 5 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018383 | 80494 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 506 | 9 | 5 | 5 | 3.2 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2N)C2(O)CCCC2)c(C)c1 | 10.1016/j.bmcl.2012.03.007 | ||
| 24801524 | 174107 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 3 | 5 | 2.7 | CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| CHEMBL429425 | 174107 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 3 | 5 | 2.7 | CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1021/jm701488f | ||
| 22268768 | 161700 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 10 | 5 | 5 | 2.4 | CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL400968 | 161700 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 507 | 10 | 5 | 5 | 2.4 | CCNC(=O)C(C)(CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1N | 10.1016/j.bmcl.2007.07.028 | ||
| 44395066 | 131241 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| CHEMBL363994 | 131241 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 398 | 8 | 1 | 3 | 4.5 | O=C(CCCC(=O)c1ccccc1)NC1CCCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2004.08.009 | ||
| 71518570 | 93179 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 3 | 1 | 4 | 4.4 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2314059 | 93179 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 453 | 3 | 1 | 4 | 4.4 | O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]12CCC[C@@H]1C[C@@H](NC1CCSCC1)C2 | 10.1016/j.bmcl.2012.10.069 | ||
| 72948004 | 112035 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115273 | 112035 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 578 | 5 | 1 | 6 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)/C=C/C(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 71716742 | 93159 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313776 | 93159 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 5 | 2 | 6 | 2.0 | COC1COCCC1N[C@@H]1C[C@H]2C[C@H](C(N)=O)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 44453471 | 104646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272283 | 104646 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 470 | 7 | 3 | 5 | 2.9 | Nc1ccc(OC(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 10228205 | 100503 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 4 | 4 | 2.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247205 | 100503 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 490 | 10 | 4 | 4 | 2.6 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 57344303 | 137426 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681894 | 137426 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 538 | 7 | 3 | 3 | 5.0 | NC(=O)C(N[C@H]1CC[C@H](c2c[nH]c3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 57402059 | 77117 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| CHEMBL1944780 | 77117 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 553 | 9 | 2 | 5 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C[C@@H]1CS(=O)(=O)c1ccccc1 | 10.1016/j.bmcl.2011.12.057 | ||
| 25268795 | 155286 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL393835 | 155286 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 421 | 6 | 1 | 2 | 4.7 | C[N+](C)(Cc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1 | 10.1016/j.bmcl.2007.01.115 | ||
| 86767120 | 136181 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671253 | 136181 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 2.9 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)C1 | nan | ||
| 44449081 | 102288 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 535 | 6 | 2 | 3 | 5.4 | O=C(/C=C/c1cccc(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL257385 | 102288 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 535 | 6 | 2 | 3 | 5.4 | O=C(/C=C/c1cccc(Br)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11634928 | 175670 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 5 | 3 | 3 | 6.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| CHEMBL438353 | 175670 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 514 | 5 | 3 | 3 | 6.0 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(C(CO)N2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/j.bmcl.2008.05.010 | ||
| 11606702 | 152532 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL391662 | 152532 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 580 | 14 | 1 | 5 | 7.8 | CCC(CCCN(CC)CC)NC(=O)CCOc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2006.10.060 | ||
| 56671794 | 72571 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834790 | 72571 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 516 | 7 | 2 | 7 | 3.9 | COc1ccc([C@H]2CC[C@@H](N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)cn1 | 10.1016/j.bmcl.2011.08.074 | ||
| 44595711 | 144099 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752627 | 144099 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 332 | 2 | 1 | 1 | 5.1 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(Cl)c(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 44416157 | 87370 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL215020 | 87370 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 564 | 8 | 1 | 2 | 7.5 | C[C@H]1CN(CC[C@H](CC2CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425630 | 92802 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230617 | 92802 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 550 | 4 | 1 | 2 | 7.2 | C[C@H]1CN([C@@H]2CC[C@](C)(C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2007.04.053 | ||
| 11330529 | 81315 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| CHEMBL2029418 | 81315 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 567 | 7 | 3 | 6 | 3.9 | O=C(NCC(=O)N1CC[C@H](N[C@H]2CC[C@@](O)(c3ccc(-c4cccnc4)cn3)CC2)C1)c1cccc(C(F)(F)F)c1 | 10.1021/ml200199c | ||
| 24801689 | 104570 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
| CHEMBL271828 | 104570 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 651 | 9 | 5 | 6 | 3.5 | NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)cc1 | 10.1021/jm701488f | ||
| 44425242 | 92818 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL230727 | 92818 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 588 | 8 | 2 | 5 | 6.6 | Nc1nc(C(CCN2CCC(c3ccc(F)cc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 | 10.1016/j.bmcl.2006.10.059 | ||
| 54583186 | 69346 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782578 | 69346 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 496 | 6 | 1 | 5 | 4.3 | CCC1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)C)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10232019 | 80505 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018394 | 80505 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 584 | 14 | 5 | 5 | 5.1 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NCc1ccccc1 | 10.1016/j.bmcl.2012.03.007 | ||
| 53322811 | 65248 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683077 | 65248 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 484 | 6 | 1 | 6 | 3.1 | CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N[C@H]2CCOC[C@H]2OC)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 54586021 | 69317 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| CHEMBL1782375 | 69317 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 494 | 4 | 0 | 5 | 4.1 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N2CCC3COCCC32)C1 | 10.1016/j.bmcl.2011.01.034 | ||
| 10008367 | 8803 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 777 | 8803 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL1289316 | 8803 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| CHEMBL2426341 | 8803 | 50 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@@H]1CC[C@](CC1)(O)c1ccc2c(c1)OCO2 | 10.1016/j.bmcl.2010.10.020 | ||
| 10281715 | 80498 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| CHEMBL2018387 | 80498 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 13 | 6 | 5 | 4.0 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)NC(=O)CNC(=O)c1cc(C(F)(F)F)ccc1NC(=O)NC(C)C | 10.1021/ml500505q | ||
| 22143146 | 190685 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| CHEMBL481202 | 190685 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 490 | 8 | 3 | 4 | 3.5 | Cc1ccc(CNC2CC(N(C)C)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.12.062 | ||
| 76314242 | 112030 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115268 | 112030 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 544 | 5 | 1 | 6 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(c3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 11633080 | 100407 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 1 | 6.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL246728 | 100407 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 417 | 5 | 1 | 1 | 6.0 | C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CC2CCC1C2 | 10.1016/j.bmcl.2007.01.115 | ||
| 44442591 | 100588 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 11 | 5 | 5 | 4.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247635 | 100588 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 11 | 5 | 5 | 4.8 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cc(C(F)(F)F)ccc2NC(=O)C2CCCCC2)C(=O)NC(C)(C)C)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22310914 | 31100 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2ccc(F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL134072 | 31100 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2ccc(F)cc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 10459336 | 80589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| CHEMBL2018540 | 80589 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 520 | 10 | 4 | 5 | 3.6 | CCC[C@H](O)[C@H](CNCc1ccc(C)cc1C)N1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2N)C1=O | 10.1016/j.bmcl.2012.03.007 | ||
| 44442574 | 161907 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 517 | 9 | 4 | 5 | 2.8 | Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL402055 | 161907 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 517 | 9 | 4 | 5 | 2.8 | Cc1cc(C#N)ccc1CNC[C@H](NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1)C(=O)NC(C)(C)C | 10.1016/j.bmcl.2007.07.028 | ||
| 11634118 | 65226 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 5 | 1 | 3 | 5.4 | CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| CHEMBL1683053 | 65226 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 466 | 5 | 1 | 3 | 5.4 | CC(C)[C@]1(C(=O)N2CCC(c3cccc(C(F)(F)F)c3)CC2)CC[C@@H](NC2CCOCC2)C1 | 10.1016/j.bmcl.2011.01.015 | ||
| 89823507 | 133100 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650370 | 133100 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
| 56678506 | 72563 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 8 | 2 | 9 | 2.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| CHEMBL1834782 | 72563 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 545 | 8 | 2 | 9 | 2.2 | CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C(F)(F)F)cc34)C2)CC1 | 10.1016/j.bmcl.2011.08.074 | ||
| 57401421 | 74640 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 6 | 1 | 3 | 5.1 | O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=Cc2cc(Br)ccc2OCC1 | 10.1016/j.bmcl.2011.09.013 | ||
| CHEMBL1910161 | 74640 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 486 | 6 | 1 | 3 | 5.1 | O=C(NCCCN1CCC(c2ccc(F)cc2)CC1)C1=Cc2cc(Br)ccc2OCC1 | 10.1016/j.bmcl.2011.09.013 | ||
| 127025445 | 144240 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3753719 | 144240 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 244 | 2 | 1 | 1 | 3.7 | Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1 | 10.1016/j.bmcl.2015.11.051 | ||
| 72663455 | 136179 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| CHEMBL3671251 | 136179 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 469 | 4 | 1 | 6 | 2.3 | COC1COCCC1NC1CC2OCCC2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | nan | ||
| 44416274 | 165333 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL409162 | 165333 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 510 | 6 | 1 | 2 | 6.4 | C[C@H]1CN(CCCC(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.07.011 | ||
| 44425639 | 92840 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| CHEMBL230831 | 92840 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 580 | 6 | 1 | 3 | 6.8 | COCC1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC(N2CC[C@]3(C=Cc4ccccc43)[C@@H](C)C2)C1 | 10.1016/j.bmcl.2007.04.053 | ||
| 11843813 | 148679 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| CHEMBL386865 | 148679 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 8 | 1 | 2 | 7.5 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](CCN1CCC(c2ccccc2)CC1)c1ccc(F)cc1 | 10.1021/jm060439n | ||
| 44395079 | 73771 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 530 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| CHEMBL186899 | 73771 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 530 | 8 | 2 | 6 | 3.9 | CS(=O)(=O)c1ccc(CN2CCCN(CCC(O)(c3cccc(O)c3)c3cc(F)cc(F)c3)CC2)cc1 | 10.1016/j.bmcl.2004.08.008 | ||
| 44439157 | 98455 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 597 | 10 | 2 | 5 | 7.8 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.bmcl.2006.10.060 | ||
| CHEMBL240853 | 98455 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 597 | 10 | 2 | 5 | 7.8 | O=C(CCCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.bmcl.2006.10.060 | ||
| 49863168 | 21978 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 583 | 9 | 2 | 5 | 7.4 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2010.04.024 | ||
| CHEMBL1210604 | 21978 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 583 | 9 | 2 | 5 | 7.4 | O=C(CCc1cc(-c2cc(Cl)cc(Cl)c2)nn1-c1ccc2ccccc2c1)NCCCc1ccc2c(n1)NCCC2 | 10.1016/j.ejmech.2010.04.024 | ||
| 71519227 | 93152 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 503 | 4 | 1 | 5 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| CHEMBL2313769 | 93152 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 503 | 4 | 1 | 5 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CC(F)(F)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2012.10.069 | ||
| 11318368 | 81307 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200199c | ||
| CHEMBL2029410 | 81307 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 520 | 7 | 3 | 6 | 2.9 | COc1ccc([C@]2(O)CC[C@H](N[C@H]3CCN(C(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)cn1 | 10.1021/ml200199c | ||
| 89823428 | 133105 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
| CHEMBL3650375 | 133105 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
| 72945827 | 112005 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115102 | 112005 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 588 | 5 | 1 | 7 | 3.7 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 57391487 | 137437 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(N[C@H]1CC[C@H](C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL3681904 | 137437 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.6 | NC(=O)C(N[C@H]1CC[C@H](C2CNc3ccccc32)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 44444100 | 100809 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 6 | 0 | 3 | 6.2 | CN(C)c1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| CHEMBL248812 | 100809 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 499 | 6 | 0 | 3 | 6.2 | CN(C)c1ccc(C2CCN(CC3CCN(C(=O)/C=C/c4ccc(Cl)c(Cl)c4)CC3)CC2)cc1 | 10.1016/j.bmcl.2007.07.065 | ||
| 44425316 | 149137 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| CHEMBL388869 | 149137 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 712 | 9 | 2 | 5 | 8.5 | C[C@H]1CN(CCC(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2csc(NC(=O)c3ccccc3)n2)CC[C@]12C=Cc1ccccc12 | 10.1016/j.bmcl.2006.10.059 | ||
| 25268442 | 100725 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 369 | 6 | 1 | 3 | 3.7 | COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
| CHEMBL248358 | 100725 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 369 | 6 | 1 | 3 | 3.7 | COc1cccc(C(=O)Nc2ccc(C[N+](C)(C)C3CCOCC3)cc2)c1 | 10.1016/j.bmcl.2007.01.115 | ||
| 508870 | 104252 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 6 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL270205 | 104252 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 488 | 6 | 3 | 4 | 3.7 | Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 22310992 | 29880 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 363 | 4 | 2 | 3 | 4.4 | O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL133075 | 29880 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 363 | 4 | 2 | 3 | 4.4 | O=C(O)c1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 | 10.1016/j.bmcl.2003.10.049 | ||
| 57344301 | 137424 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1 | nan | ||
| CHEMBL3681892 | 137424 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 540 | 7 | 3 | 4 | 4.9 | NC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2ccc3c(c2)CCCO3)CC1 | nan | ||
| 508742 | 102351 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL257702 | 102351 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 423 | 6 | 2 | 3 | 3.0 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2ccc(F)cc2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 44453538 | 104706 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| CHEMBL272543 | 104706 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 419 | 6 | 2 | 3 | 3.1 | Cc1ccccc1CN1CC[C@@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C1 | 10.1016/j.bmcl.2008.02.015 | ||
| 72946008 | 112014 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115111 | 112014 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 625 | 7 | 1 | 9 | 1.9 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCOCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 10278862 | 100504 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247206 | 100504 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 504 | 10 | 4 | 4 | 3.0 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22143200 | 194544 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| CHEMBL495718 | 194544 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 480 | 8 | 4 | 5 | 2.8 | CSc1ccc(CNC2CCNCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2008.07.123 | ||
| 9956260 | 164462 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| CHEMBL408172 | 164462 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 467 | 7 | 3 | 3 | 4.3 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1NCc1ccc(Cl)cc1 | 10.1021/jm701488f | ||
| 127025444 | 144046 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| CHEMBL3752110 | 144046 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 230 | 2 | 1 | 1 | 3.4 | C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1 | 10.1016/j.bmcl.2015.11.051 | ||
| 57656938 | 81990 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036766 | 81990 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 410 | 4 | 1 | 3 | 3.7 | O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C[C@@H]2CCCN(C3CC3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 44415922 | 148461 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| CHEMBL385540 | 148461 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 536 | 7 | 1 | 2 | 6.8 | O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](CCN1CCC2(C=Cc3ccccc32)CC1)C1CC1 | 10.1016/j.bmcl.2006.07.011 | ||
| 57344318 | 75708 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922791 | 75708 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 566 | 7 | 2 | 3 | 5.6 | CN(C)C(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 57344317 | 75707 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| CHEMBL1922790 | 75707 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 552 | 7 | 3 | 3 | 5.3 | CNC(=O)C(NC1CCC(c2c[nH]c3ccccc23)CC1)C1CCN(C(=O)/C=C/c2cc(F)c(F)c(F)c2)CC1 | nan | ||
| 72946010 | 112007 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| CHEMBL3115104 | 112007 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 582 | 5 | 1 | 7 | 3.6 | COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCC(C)(C)C)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1 | 10.1016/j.bmcl.2013.05.024 | ||
| 11510932 | 81977 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036753 | 81977 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 460 | 5 | 1 | 3 | 5.1 | O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 | 10.1016/j.bmcl.2012.04.118 | ||
| 46886061 | 14755 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 593 | 8 | 1 | 6 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| CHEMBL1090562 | 14755 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 593 | 8 | 1 | 6 | 3.9 | CC(C)N(C)[C@@H]1CC[C@H](N2C(=O)C[C@H](NC(=O)c3cccc(C(F)(F)F)c3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1 | 10.1016/j.bmcl.2010.03.035 | ||
| 44442558 | 100505 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 3.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| CHEMBL247207 | 100505 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 518 | 10 | 4 | 4 | 3.4 | Cc1ccc(CNC[C@H](NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)C(=O)NC2CCCC2)c(C)c1 | 10.1016/j.bmcl.2007.07.028 | ||
| 22310965 | 26364 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2c(F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| CHEMBL130008 | 26364 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 337 | 3 | 1 | 2 | 4.8 | O=C(O)c1cc2c(F)cccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2003.10.049 | ||
| 46885027 | 15193 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| CHEMBL1093469 | 15193 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 531 | 8 | 2 | 5 | 2.1 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(CCN2CCN(C(=O)c3ccccc3)CC2)C1 | 10.1016/j.bmcl.2010.02.072 | ||
| 10343454 | 10755 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| 9046 | 10755 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL2178578 | 10755 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| DB15250 | 10755 | 29 | None | 34 | 2 | Human | 10.0 | pKd | = | 10 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 4.3 | Clc1ccc(c(c1)C(=O)c1cc[n+](cc1)[O-])NS(=O)(=O)c1ccc(cc1)C(C)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| 11180808 | 9327 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
| 9048 | 9327 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3305901 | 9327 | 52 | None | - | 1 | Human | 9.3 | pKd | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
| 155491018 | 180862 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389902 | 179278 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4483373 | 179278 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155491018 | 180862 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4544504 | 180862 | 1 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 395 | 3 | 2 | 5 | 3.1 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389902 | 179278 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4483373 | 179278 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.8 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)c(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 11180808 | 9327 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
| 9048 | 9327 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3305901 | 9327 | 52 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 469 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1CCc2c(C1)cc(cn2)C(F)(F)F | 10.1016/j.ejmech.2015.01.063 | ||
| 71717723 | 94604 | 0 | None | 51 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | ||
| CHEMBL2338392 | 94604 | 0 | None | 51 | 2 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.3 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(CF)nc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1021/ml400055e | ||
| 155554273 | 180992 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4548396 | 180992 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155554273 | 180992 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4548396 | 180992 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 155554106 | 182248 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4577171 | 182248 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155562719 | 182008 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4571719 | 182008 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155562719 | 182008 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4571719 | 182008 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 407 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(I)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155554106 | 182248 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4577171 | 182248 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Br)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 71718331 | 94603 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | ||
| CHEMBL2338391 | 94603 | 0 | None | 208 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 663 | 8 | 2 | 8 | 5.7 | Cc1c(NC[C@H]2CCC[C@@H](c3ccc(C(F)(F)F)cc3)O2)nc(C2CCOCC2)nc1C(=O)N1CCC(N[C@H]2CCOC[C@H]2F)CC1 | 10.1021/ml400055e | ||
| 71719547 | 94605 | 0 | None | 50 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | ||
| CHEMBL2338393 | 94605 | 0 | None | 50 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 660 | 8 | 2 | 9 | 5.8 | Cc1cc(-c2nc(NC[C@H]3CCC[C@@H](c4ccc(C(F)(F)F)cc4)O3)c(C)c(C(=O)N3CCC(N[C@@H]4CCOC[C@@H]4F)CC3)n2)no1 | 10.1021/ml400055e | ||
| 118734584 | 125474 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417124 | 125474 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1cc2c(cc1OC)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
| 53389845 | 179740 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4517518 | 179740 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389845 | 179740 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4517518 | 179740 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155563012 | 182060 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4572833 | 182060 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155563012 | 182060 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4572833 | 182060 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 359 | 3 | 2 | 5 | 2.2 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Br)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10585 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155513284 | 176505 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4438407 | 176505 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 118734578 | 125467 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417117 | 125467 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Cl)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 10585 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 145996522 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4531005 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 10.1021/acs.jmedchem.9b00742 | ||
| 155513284 | 176505 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4438407 | 176505 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 343 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(C3CCCC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389660 | 178262 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4463626 | 178262 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389660 | 178262 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4463626 | 178262 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 300 | 3 | 1 | 4 | 2.5 | O=c1c(Cc2cccc(Cl)c2)c(C2CC2)[nH]c2ncnn12 | 10.1021/acs.jmedchem.9b00742 | ||
| 155553917 | 180982 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4548107 | 180982 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155553917 | 180982 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4548107 | 180982 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(Cl)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389637 | 177346 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4450273 | 177346 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389637 | 177346 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4450273 | 177346 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 317 | 3 | 2 | 5 | 2.4 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 15985912 | 90750 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 90750 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71461438 | 90751 | 0 | None | 100 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207082 | 90751 | 0 | None | 100 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cnnc1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214709 | 90753 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207084 | 90753 | 0 | None | 14 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.8 | Cc1nnnn1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71450658 | 90767 | 0 | None | 15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207098 | 90767 | 0 | None | 15 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.7 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 15985912 | 90750 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207081 | 90750 | 0 | None | 2 | 3 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 118734680 | 125482 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 547 | 5 | 1 | 3 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccnc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417225 | 125482 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 547 | 5 | 1 | 3 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccnc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734682 | 125484 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.5 | CCOc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417227 | 125484 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 591 | 7 | 1 | 4 | 7.5 | CCOc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
| 12093167 | 179104 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4475389 | 179104 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823581 | 133139 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650407 | 133139 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/acs.jmedchem.6b01309 | ||
| 71461439 | 90756 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207087 | 90756 | 0 | None | 10 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)cc1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71452487 | 90757 | 0 | None | 12 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207088 | 90757 | 0 | None | 12 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 382 | 5 | 1 | 5 | 3.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454247 | 90759 | 0 | None | 15 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207090 | 90759 | 0 | None | 15 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 366 | 5 | 1 | 5 | 2.9 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 155539148 | 179583 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4513770 | 179583 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155539148 | 179583 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4513770 | 179583 | 0 | None | -3 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 4.1 | CCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823497 | 133080 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| CHEMBL3650350 | 133080 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| 155536512 | 178984 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4473756 | 178984 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 155536512 | 178984 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4473756 | 178984 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| 89823576 | 133107 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
| CHEMBL3650377 | 133107 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 542 | 5 | 1 | 6 | 3.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ncc(C(F)(F)F)cc2Cl)C1 | nan | ||
| 89823413 | 133111 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650381 | 133111 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C#N)ccc2C(F)(F)F)C1 | nan | ||
| 118734676 | 125479 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4ccc(C#N)cc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417221 | 125479 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4ccc(C#N)cc4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 12093167 | 179104 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4475389 | 179104 | 33 | None | 1 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823461 | 133095 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
| CHEMBL3650365 | 133095 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 491 | 5 | 1 | 5 | 3.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(Cl)c2)C1 | nan | ||
| 118734684 | 125486 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 1 | 4 | 7.3 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417229 | 125486 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 595 | 6 | 1 | 4 | 7.3 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c(F)cn1 | 10.1016/j.ejmech.2015.01.063 | ||
| 71745103 | 133140 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650408 | 133140 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 71454248 | 90770 | 0 | None | 25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207100 | 90770 | 0 | None | 25 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71214976 | 90771 | 0 | None | 79 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207101 | 90771 | 0 | None | 79 | 3 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 450 | 5 | 1 | 5 | 4.5 | O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 155545321 | 180233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4529401 | 180233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 89823621 | 133097 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
| CHEMBL3650367 | 133097 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)n2)C1 | nan | ||
| 71463165 | 90755 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207086 | 90755 | 0 | None | 6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 348 | 5 | 1 | 5 | 2.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccccc1 | 10.1016/j.bmcl.2012.09.020 | ||
| 9870980 | 161426 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL399472 | 161426 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 509 | 6 | 2 | 2 | 7.0 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccccc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 25110660 | 161651 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL400698 | 161651 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 118734580 | 125470 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 4 | 1 | 2 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417120 | 125470 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 538 | 4 | 1 | 2 | 7.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(C(F)(F)F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734582 | 125472 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417122 | 125472 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(C#N)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734688 | 125490 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 5 | 1 | 3 | 7.4 | COc1cc2c(cc1Br)C(C)CC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417233 | 125490 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 592 | 5 | 1 | 3 | 7.4 | COc1cc2c(cc1Br)C(C)CC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 155545321 | 180233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4529401 | 180233 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 89823598 | 133143 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650410 | 133143 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 118734694 | 125497 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417240 | 125497 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 9902578 | 178134 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4461627 | 178134 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 118723411 | 123102 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 4.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
| CHEMBL3359300 | 123102 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 503 | 6 | 3 | 4 | 4.4 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc(O)cc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
| 155523645 | 177657 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4454297 | 177657 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155523645 | 177657 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4454297 | 177657 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 315 | 3 | 2 | 5 | 2.1 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3Cl)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 9902578 | 178134 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4461627 | 178134 | 0 | None | -4 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 5 | 1 | 3 | 4.5 | CCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 54597147 | 168151 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 0 | 7 | 3.3 | Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4126162 | 168151 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 594 | 5 | 0 | 7 | 3.3 | Cc1c(C(=O)N2CCC(N3CCC(N(C)S(C)(=O)=O)CC3)CC2)ncnc1N1CCc2ccc(C(F)(F)F)cc2C1 | 10.1016/j.bmc.2018.05.027 | ||
| 118734571 | 125460 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 5.2 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417110 | 125460 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 5 | 1 | 4 | 5.2 | CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734575 | 125464 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417114 | 125464 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 4 | 1 | 3 | 5.9 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(C#N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 155521447 | 177363 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 177363 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823526 | 133125 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| CHEMBL3650394 | 133125 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 538 | 4 | 0 | 4 | 5.7 | O=C(N1C[C@@H]2C[C@H]1CN2c1cc(C(F)(F)F)ccn1)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| 155521447 | 177363 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4450561 | 177363 | 0 | None | -2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 421 | 4 | 1 | 3 | 4.7 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)C1CC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155518928 | 177124 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4447263 | 177124 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| 155518928 | 177124 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4447263 | 177124 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccccc1Cc1c(C2CC2)[nH]c2nc(N)nn2c1=O | 10.1021/acs.jmedchem.9b00742 | ||
| 12093170 | 7659 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
| 9431 | 7659 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL4519152 | 7659 | 31 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL5268600 | 200351 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 8 | 3 | 7 | 3.2 | CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 | 10.1021/acs.jmedchem.6b01309 | ||
| 71214710 | 90754 | 0 | None | 39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207085 | 90754 | 0 | None | 39 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 431 | 5 | 1 | 6 | 3.6 | Cn1nnnc1Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10293022 | 177877 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4457687 | 177877 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 155530253 | 178300 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4464168 | 178300 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155545804 | 180276 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4530510 | 180276 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10132885 | 181917 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4569870 | 181917 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155545804 | 180276 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4530510 | 180276 | 0 | None | -5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 6 | 1 | 3 | 4.9 | CCCCC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10132885 | 181917 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4569870 | 181917 | 0 | None | -7 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 355 | 3 | 1 | 3 | 4.7 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155535265 | 178798 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4471583 | 178798 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155530253 | 178300 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4464168 | 178300 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 365 | 3 | 2 | 5 | 3.2 | Cc1ccc(-c2[nH]c3nc(N)nn3c(=O)c2Cc2cccc(Cl)c2)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| 71456007 | 90761 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207092 | 90761 | 0 | None | 1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 373 | 5 | 1 | 6 | 2.7 | N#Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 89823445 | 133129 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| CHEMBL3650398 | 133129 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 53389980 | 179006 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4474089 | 179006 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155535265 | 178798 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4471583 | 178798 | 0 | None | -8 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 339 | 4 | 1 | 3 | 4.1 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C3CC3)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 5353432 | 104271 | 89 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
| CHEMBL270299 | 104271 | 89 | None | -1 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 249 | 2 | 0 | 3 | 2.8 | CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1 | nan | ||
| 9924108 | 178552 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467708 | 178552 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 10293022 | 177877 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4457687 | 177877 | 12 | None | 1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 377 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823661 | 133122 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650391 | 133122 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 541 | 5 | 1 | 5 | 4.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| 53389980 | 179006 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4474089 | 179006 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 289 | 2 | 2 | 5 | 1.6 | Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 22335694 | 178337 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4464639 | 178337 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9924108 | 178552 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4467708 | 178552 | 0 | None | -2 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.5 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 155522874 | 177618 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4453718 | 177618 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155522874 | 177618 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4453718 | 177618 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 8 | 2 | 5 | 3.8 | CCCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 22335694 | 178337 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4464639 | 178337 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9902204 | 176905 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4443909 | 176905 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 9902204 | 176905 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4443909 | 176905 | 12 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 162671727 | 189750 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4793148 | 189750 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 118734693 | 125496 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417239 | 125496 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 89823498 | 133091 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
| CHEMBL3650361 | 133091 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C)C1 | nan | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/acs.jmedchem.6b01309 | ||
| 3794409 | 177535 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4452558 | 177535 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 76167595 | 168243 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 6 | 2 | 7 | 3.8 | COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4127538 | 168243 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 493 | 6 | 2 | 7 | 3.8 | COC1COCCC1NC1CCN(C(=O)c2ncnc(Nc3ccc(Cl)c(Cl)c3)c2C)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 118734686 | 125488 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417231 | 125488 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccc(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734691 | 125494 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417237 | 125494 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1016/j.bmc.2015.02.019 | ||
| 71718930 | 94602 | 0 | None | 75 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | ||
| CHEMBL2338390 | 94602 | 0 | None | 75 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 601 | 5 | 1 | 7 | 4.4 | CO[C@@H]1COCC[C@@H]1NC1CCN(C(=O)c2nc(C(F)(F)F)nc(N3CCc4cc(C(F)(F)F)ccc4C3)c2C)CC1 | 10.1021/ml400055e | ||
| 155551912 | 181915 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4569807 | 181915 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155551912 | 181915 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4569807 | 181915 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 439 | 3 | 2 | 5 | 3.2 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Br)cc(Br)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155540798 | 179714 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4516788 | 179714 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 118734572 | 125461 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 4 | 1 | 2 | 6.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417111 | 125461 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 470 | 4 | 1 | 2 | 6.1 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 155540798 | 179714 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4516788 | 179714 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)cc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389710 | 179060 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4474757 | 179060 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 71576618 | 125468 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417118 | 125468 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 53389710 | 179060 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4474757 | 179060 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 331 | 5 | 2 | 5 | 2.6 | CCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 73334813 | 125492 | 17 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417235 | 125492 | 17 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 155560784 | 181830 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4567816 | 181830 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155560784 | 181830 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4567816 | 181830 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1cccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 155541801 | 179835 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4519409 | 179835 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155527193 | 177948 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4458846 | 177948 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155527193 | 177948 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4458846 | 177948 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 311 | 4 | 2 | 6 | 1.5 | COc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 3794409 | 177535 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4452558 | 177535 | 7 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 341 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823496 | 133093 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650363 | 133093 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 3.8 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(C(F)(F)F)c2)C1 | nan | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 118734576 | 125465 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 4 | 2 | 3 | 5.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(O)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417115 | 125465 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 486 | 4 | 2 | 3 | 5.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(O)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 89823628 | 133127 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650396 | 133127 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 5 | 0 | 5 | 4.8 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C(F)(F)F)c2)C1 | nan | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 155550777 | 181066 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4549837 | 181066 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 3796276 | 177629 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453953 | 177629 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155526680 | 177908 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4458295 | 177908 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093162 | 180105 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4526524 | 180105 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3796276 | 177629 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453953 | 177629 | 7 | None | -2 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.2 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc(Br)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155526680 | 177908 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4458295 | 177908 | 0 | None | -3 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 3 | 1 | 3 | 4.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1c1cccc(Br)c1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093162 | 180105 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4526524 | 180105 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 329 | 4 | 1 | 4 | 3.4 | COc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 162671727 | 189750 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4793148 | 189750 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 10 | 3 | 5 | 5.6 | C=CC(=O)NCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 155550777 | 181066 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4549837 | 181066 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 359 | 7 | 2 | 5 | 3.4 | CCCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155513605 | 176559 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4439033 | 176559 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
| 155513605 | 176559 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4439033 | 176559 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 3.0 | CC(C)c1[nH]c2nc(N)nn2c(=O)c1Cc1cc(Cl)ccc1Cl | 10.1021/acs.jmedchem.9b00742 | ||
| 155553131 | 180890 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4545333 | 180890 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 118734581 | 125471 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417121 | 125471 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1ccc2c(c1)C(N[C@@H]1CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C1)CC2 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734683 | 125485 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417228 | 125485 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)ccn1 | 10.1016/j.ejmech.2015.01.063 | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 9967465 | 178866 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4472384 | 178866 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967465 | 178866 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4472384 | 178866 | 11 | None | 2 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 333 | 3 | 1 | 3 | 4.0 | CC(=O)C1=C(O)C(=O)N(c2cccc(Cl)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 68070944 | 168239 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 8 | 1 | 7 | 4.1 | CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| CHEMBL4127496 | 168239 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 582 | 8 | 1 | 7 | 4.1 | CCS(=O)(=O)N(C)C1CCN(C2CCN(C(=O)c3ncnc(NCc4ccc(Cl)c(Cl)c4)c3C)CC2)CC1 | 10.1016/j.bmc.2018.05.027 | ||
| 118734690 | 125493 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417236 | 125493 | 3 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 548 | 4 | 1 | 2 | 6.8 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2CCc3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 71450657 | 90763 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207094 | 90763 | 0 | None | 15 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 422 | 5 | 1 | 6 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cc(Cl)c(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 15604497 | 90768 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207099 | 90768 | 0 | None | 39 | 3 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 432 | 5 | 1 | 7 | 3.0 | Cn1nnnc1Cc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 44309012 | 109600 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL305470 | 109600 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| 71463166 | 90765 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207096 | 90765 | 0 | None | 7 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 390 | 5 | 1 | 8 | 2.3 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc2nonc12 | 10.1016/j.bmcl.2012.09.020 | ||
| 44309012 | 109600 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL305470 | 109600 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 11080 | 35858 | 79 | None | -1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| CHEMBL1381098 | 35858 | 79 | None | -1 | 6 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 185 | 1 | 0 | 2 | 3.6 | S=C=Nc1cccc2ccccc12 | nan | ||
| 155553131 | 180890 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4545333 | 180890 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 351 | 3 | 2 | 5 | 2.9 | Nc1nc2[nH]c(-c3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 89823470 | 133087 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
| CHEMBL3650357 | 133087 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nccc(C(F)(F)F)n2)C1 | nan | ||
| 12093163 | 181181 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4552420 | 181181 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 12093163 | 181181 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4552420 | 181181 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2cccc(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 118723406 | 123100 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 5.1 | Cc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
| CHEMBL3359295 | 123100 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 501 | 6 | 2 | 3 | 5.1 | Cc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
| 89823507 | 133100 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650370 | 133100 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(F)cc(C(F)(F)F)c2)C1 | nan | ||
| 89823552 | 133081 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| CHEMBL3650351 | 133081 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)cnn2)C1 | nan | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 155540563 | 179316 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483756 | 179316 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9949615 | 144982 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 335 | 3 | 2 | 3 | 4.4 | O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL376981 | 144982 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 335 | 3 | 2 | 3 | 4.4 | O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2006.04.045 | ||
| 89823551 | 133090 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650360 | 133090 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(F)c(C(F)(F)F)c2)C1 | nan | ||
| 118734685 | 125487 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.6 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccccc21 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417230 | 125487 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.6 | CC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2ccccc21 | 10.1016/j.ejmech.2015.01.063 | ||
| 155541801 | 179835 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4519409 | 179835 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155535293 | 178824 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4471792 | 178824 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389636 | 179179 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4476551 | 179179 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155543260 | 180068 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4525646 | 180068 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155535293 | 178824 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4471792 | 178824 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 295 | 3 | 2 | 5 | 1.8 | Cc1ccc(Cc2c(C3CC3)[nH]c3nc(N)nn3c2=O)cc1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155543260 | 180068 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4525646 | 180068 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 314 | 3 | 1 | 4 | 2.8 | Cc1nc2[nH]c(C3CC3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 53389636 | 179179 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4476551 | 179179 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 317 | 4 | 2 | 5 | 2.2 | CCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 53389641 | 182732 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4588111 | 182732 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 86698129 | 133082 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650352 | 133082 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 522 | 5 | 0 | 6 | 3.6 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 155540563 | 179316 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483756 | 179316 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2cccc(C(F)(F)F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823349 | 133094 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650364 | 133094 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 521 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C)c(C(F)(F)F)c2)C1 | nan | ||
| 118734573 | 125462 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417112 | 125462 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 484 | 4 | 1 | 2 | 6.4 | Cc1cccc2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 162671079 | 189631 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4791522 | 189631 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 89823575 | 133089 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
| CHEMBL3650359 | 133089 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 525 | 5 | 1 | 5 | 4.0 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2F)C1 | nan | ||
| 15985914 | 90749 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207080 | 90749 | 0 | None | 8 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 457 | 6 | 1 | 6 | 4.4 | O=S(=O)(Nc1cc(Cl)ccc1Cn1nnnc1C1CC1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71461440 | 90766 | 0 | None | 31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207097 | 90766 | 0 | None | 31 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 5 | 1 | 5 | 3.6 | O=S(=O)(Nc1cc(F)ccc1Cn1ccnn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 162671079 | 189631 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4791522 | 189631 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.4 | O=C(NCCN=C=S)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 155513751 | 176580 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439354 | 176580 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/acs.jmedchem.6b01309 | ||
| 155513751 | 176580 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4439354 | 176580 | 0 | None | -7 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 341 | 4 | 1 | 3 | 4.3 | Cc1ccc(N2C(=O)C(O)=C(C(=O)C(C)C)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823537 | 133076 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650346 | 133076 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 89823606 | 133103 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| CHEMBL3650373 | 133103 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C#N)C1 | nan | ||
| 89823656 | 133133 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650401 | 133133 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 546 | 5 | 0 | 6 | 4.1 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 9967349 | 179844 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4519533 | 179844 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9967349 | 179844 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4519533 | 179844 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823580 | 133115 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
| CHEMBL3650385 | 133115 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 507 | 5 | 1 | 5 | 4.1 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(Cl)c2)C1 | nan | ||
| 118734678 | 125480 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1cccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417223 | 125480 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1cccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
| 71214725 | 90752 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207083 | 90752 | 0 | None | 15 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 4.1 | O=S(=O)(Nc1cc(Cl)ccc1Cn1cncn1)c1ccc(Cl)c(Cl)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10257042 | 211140 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL71707 | 211140 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 162666730 | 189053 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4783861 | 189053 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 589 | 9 | 2 | 6 | 6.5 | N#CSCCNC(=O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 53389641 | 182732 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4588111 | 182732 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 303 | 3 | 2 | 5 | 1.8 | CCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155520385 | 177229 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4448714 | 177229 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155520385 | 177229 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4448714 | 177229 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 299 | 3 | 2 | 5 | 1.6 | Nc1nc2[nH]c(C3CC3)c(Cc3ccc(F)cc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 118734579 | 125469 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(I)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417119 | 125469 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 596 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(I)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 118734687 | 125489 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 5 | 1 | 3 | 6.8 | COc1cc2c(cc1Br)CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417232 | 125489 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 578 | 5 | 1 | 3 | 6.8 | COc1cc2c(cc1Br)CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734574 | 125463 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 485 | 4 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417113 | 125463 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 485 | 4 | 2 | 3 | 5.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3c(N)cccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734692 | 125495 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417238 | 125495 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 562 | 4 | 1 | 2 | 7.4 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N[C@H]2C[C@H](C)c3cc(Br)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 118734577 | 125466 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 4 | 1 | 2 | 6.2 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417116 | 125466 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 488 | 4 | 1 | 2 | 6.2 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(F)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 10257042 | 211140 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL71707 | 211140 | 0 | None | 12 | 7 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 551 | 6 | 3 | 3 | 7.3 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2[C@H]3CC[C@@H]2C[C@@H](c2c[nH]c4ccc(O)cc24)C3)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 11632418 | 81972 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| CHEMBL2036748 | 81972 | 1 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 384 | 3 | 1 | 3 | 3.5 | CN1CCCC(CN2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 | 10.1016/j.bmcl.2012.04.118 | ||
| 118734681 | 125483 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417226 | 125483 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 577 | 6 | 1 | 4 | 7.1 | COc1cncc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c1 | 10.1016/j.ejmech.2015.01.063 | ||
| 176 | 7186 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2157 | 7186 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 2566 | 7186 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| CHEMBL633 | 7186 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| DB01118 | 7186 | 66 | None | -3 | 31 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | nan | ||
| 89823586 | 133102 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
| CHEMBL3650372 | 133102 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)n2)C1 | nan | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 89823444 | 133104 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650374 | 133104 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 523 | 6 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cccc(OC(F)(F)F)c2)C1 | nan | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 118734671 | 125477 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1ccc(OC)c2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417216 | 125477 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 530 | 6 | 1 | 4 | 6.1 | COc1ccc(OC)c2c1CCC2N[C@@H]1CC[C@@](C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)(C(C)C)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 89823344 | 133128 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650397 | 133128 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 589 | 5 | 0 | 5 | 5.2 | CO[C@@H]1COCC[C@@H]1N(C)[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| 155534565 | 178750 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4470785 | 178750 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155529754 | 178240 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4463383 | 178240 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10111333 | 182246 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 182246 | 0 | None | 1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155529754 | 178240 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4463383 | 178240 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 349 | 3 | 2 | 5 | 2.5 | Nc1nc2[nH]c(C3CC3)c(Cc3cccc(C(F)(F)F)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155534565 | 178750 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4470785 | 178750 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 281 | 3 | 2 | 5 | 1.5 | Nc1nc2[nH]c(C3CC3)c(Cc3ccccc3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 44573568 | 194249 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL494019 | 194249 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 512 | 6 | 2 | 2 | 6.8 | CC(C)[C@]1(C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC[C@@H](NC2CCc3ccccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/j.bmcl.2006.04.045 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| 71457815 | 90760 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207091 | 90760 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.8 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71452488 | 90762 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207093 | 90762 | 0 | None | 19 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 388 | 5 | 1 | 6 | 3.5 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1 | 10.1016/j.bmcl.2012.09.020 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1016/s0960-894x(01)00397-3 | ||
| 15985981 | 90748 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207079 | 90748 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | Cc1cc(C)n(Cc2ccc(C(F)(F)F)cc2NS(=O)(=O)c2ccc(Cl)cc2)n1 | 10.1016/j.bmcl.2012.09.020 | ||
| 71454246 | 90758 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207089 | 90758 | 0 | None | 1 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 376 | 5 | 1 | 5 | 3.4 | Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cn2ccnn2)cc1C | 10.1016/j.bmcl.2012.09.020 | ||
| 155522058 | 177423 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4451290 | 177423 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155522058 | 177423 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4451290 | 177423 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 379 | 5 | 2 | 5 | 3.0 | Nc1nc2[nH]c(CCc3ccccc3)c(Cc3cccc(Cl)c3)c(=O)n2n1 | 10.1021/acs.jmedchem.9b00742 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 118734675 | 125478 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccc(C#N)c4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417220 | 125478 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 571 | 5 | 1 | 3 | 7.6 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3cc(-c4cccc(C#N)c4)ccc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| 89823462 | 133136 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
| CHEMBL3650404 | 133136 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 463 | 4 | 1 | 6 | 2.5 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)C1 | nan | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 22335665 | 180246 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4529804 | 180246 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 22335665 | 180246 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4529804 | 180246 | 0 | None | -1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 331 | 3 | 1 | 3 | 3.8 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)c(F)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 89823427 | 133088 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
| CHEMBL3650358 | 133088 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 509 | 5 | 1 | 7 | 2.6 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ncn2)C1 | nan | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 10111333 | 182246 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4577133 | 182246 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823620 | 133141 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650409 | 133141 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 506 | 5 | 1 | 5 | 4.2 | CC[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 162658125 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4760108 | 187875 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 471 | 6 | 2 | 4 | 5.9 | O=C(O)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 155531561 | 178429 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4466027 | 178429 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155531561 | 178429 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4466027 | 178429 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 359 | 6 | 2 | 5 | 3.2 | CCC(CC)Cc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 89823439 | 133077 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650347 | 133077 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/acs.jmedchem.6b01309 | ||
| 71456008 | 90764 | 0 | None | 25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
| CHEMBL2207095 | 90764 | 0 | None | 25 | 3 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 404 | 5 | 1 | 6 | 4.0 | O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1csc2ccccc12 | 10.1016/j.bmcl.2012.09.020 | ||
| 162672927 | 189962 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4795646 | 189962 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 44309012 | 109600 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL305470 | 109600 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| 44309012 | 109600 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL305470 | 109600 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 525 | 9 | 3 | 3 | 6.9 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCCCCN1[C@H]2CC[C@@H]1CC(c1c[nH]c3ccc(O)cc13)C2 | 10.1016/s0960-894x(01)00397-3 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9967166 | 176752 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4441958 | 176752 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 118723408 | 123101 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.8 | COc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
| CHEMBL3359297 | 123101 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 4.8 | COc1cccc(C2CCC(N3CCC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)CC3)CC2)c1 | 10.1016/j.bmcl.2014.10.060 | ||
| 9967166 | 176752 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4441958 | 176752 | 11 | None | 2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 327 | 4 | 1 | 3 | 3.9 | CCc1ccc(N2C(=O)C(O)=C(C(C)=O)C2C2CCCCC2)cc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 155559153 | 181560 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4561618 | 181560 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 89823506 | 133114 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650384 | 133114 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 532 | 5 | 1 | 6 | 3.7 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(C#N)c(C(F)(F)F)c2)C1 | nan | ||
| 155559153 | 181560 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4561618 | 181560 | 0 | None | -2 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 4 | 1 | 3 | 5.6 | O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2F)C1C1CCCCC1)c1ccccc1 | 10.1021/acs.jmedchem.8b00605 | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 89823342 | 133137 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| CHEMBL3650405 | 133137 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 492 | 4 | 1 | 5 | 3.9 | C[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccn2)C1 | nan | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 155553573 | 180956 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4547381 | 180956 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 155553573 | 180956 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| CHEMBL4547381 | 180956 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 345 | 6 | 2 | 5 | 3.0 | CCCCCc1[nH]c2nc(N)nn2c(=O)c1Cc1cccc(Cl)c1 | 10.1021/acs.jmedchem.9b00742 | ||
| 118734583 | 125473 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(Cl)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417123 | 125473 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 504 | 4 | 1 | 2 | 6.7 | CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](NC2CCc3ccc(Cl)cc32)C1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL11359 | 16552 | 0 | None | -2 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | None | nan | ||||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 10.1021/jm030862l | ||
| 118723021 | 123045 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 2 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
| CHEMBL3358698 | 123045 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 487 | 6 | 2 | 3 | 4.7 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
| 118734679 | 125481 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1ccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417224 | 125481 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 576 | 6 | 1 | 3 | 7.7 | COc1ccc(-c2ccc3c(c2)CCC3N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)cc1 | 10.1016/j.ejmech.2015.01.063 | ||
| 3013430 | 27903 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| CHEMBL131243 | 27903 | 1 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 480 | 6 | 1 | 3 | 6.6 | Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCC3)cc1 | 10.1021/jm030862l | ||
| 89823417 | 133123 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
| CHEMBL3650392 | 133123 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 498 | 5 | 1 | 6 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(Cl)c(C#N)c2)C1 | nan | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 10.1021/jm030862l | ||
| 89823348 | 133126 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| CHEMBL3650395 | 133126 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 575 | 5 | 1 | 5 | 4.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2cc(C(F)(F)F)ccc2C(F)(F)F)C1 | nan | ||
| 25110660 | 161651 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL400698 | 161651 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 9857981 | 177566 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453024 | 177566 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 25110660 | 161651 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| CHEMBL400698 | 161651 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 525 | 6 | 3 | 3 | 6.7 | O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CC[C@@H](CN2CCC(c3c[nH]c4ccc(O)cc34)CC2)CC1 | 10.1016/s0960-894x(01)00397-3 | ||
| 89823541 | 133101 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
| CHEMBL3650371 | 133101 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 508 | 5 | 1 | 6 | 3.2 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(C(F)(F)F)c2)C1 | nan | ||
| 89823450 | 133124 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| CHEMBL3650393 | 133124 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 562 | 4 | 0 | 4 | 6.2 | N#Cc1ccc(C(F)(F)F)cc1N1C[C@@H]2C[C@H]1CN2C(=O)[C@@]12CCC[C@@H]1C[C@@H](N1CCC(c3ccccc3)CC1)C2 | nan | ||
| 22725647 | 180478 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 180478 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 9857981 | 177566 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4453024 | 177566 | 11 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 313 | 3 | 1 | 3 | 3.7 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 118734689 | 125491 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 606 | 6 | 1 | 3 | 7.8 | CCC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
| CHEMBL3417234 | 125491 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 606 | 6 | 1 | 3 | 7.8 | CCC1CC(N[C@@H]2CC[C@@](C(=O)N3CCc4ccc(C(F)(F)F)cc4C3)(C(C)C)C2)c2cc(OC)c(Br)cc21 | 10.1016/j.ejmech.2015.01.063 | ||
| 89823428 | 133105 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
| CHEMBL3650375 | 133105 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 514 | 5 | 1 | 7 | 3.3 | CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2C[C@@H]3C[C@H]2CN3c2nc(C(F)(F)F)cs2)C1 | nan | ||
| 4485 | 76154 | 118 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
| CHEMBL193 | 76154 | 118 | None | -1 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | nan | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 10.1021/jm030862l | ||
| 162672927 | 189962 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| CHEMBL4795646 | 189962 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 733 | 11 | 3 | 7 | 6.4 | O=C(NCCNC(=O)c1ccc(S(=O)(=O)F)cc1)c1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 | 10.1021/acs.jmedchem.0c01137 | ||
| 22725647 | 180478 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4535696 | 180478 | 0 | None | 3 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 347 | 3 | 1 | 3 | 4.3 | CC(=O)C1=C(O)C(=O)N(c2ccc(Cl)c(C)c2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10.1021/jm030862l | ||
| 118723412 | 123103 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 4.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc4c(c3)OCO4)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
| CHEMBL3359301 | 123103 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 4.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(C2CCC(c3ccc4c(c3)OCO4)CC2)CC1 | 10.1016/j.bmcl.2014.10.060 | ||
| 10133557 | 179318 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483771 | 179318 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 10133557 | 179318 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4483771 | 179318 | 0 | None | 1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 367 | 3 | 1 | 3 | 4.4 | CC(=O)C1=C(O)C(=O)N(c2ccc(C(F)(F)F)cc2)C1C1CCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 8447 | 195728 | 84 | None | -12 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| CHEMBL508112 | 195728 | 84 | None | -12 | 13 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 332 | 3 | 0 | 6 | 5.7 | c1ccc2sc(SSc3nc4ccccc4s3)nc2c1 | nan | ||
| 9945265 | 177962 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4459033 | 177962 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 3117 | 214620 | 103 | None | -2 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| CHEMBL964 | 214620 | 103 | None | -2 | 16 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | nan | ||
| 9945265 | 177962 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| CHEMBL4459033 | 177962 | 0 | None | -1 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 327 | 3 | 1 | 3 | 4.1 | CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1C1CCCCCC1 | 10.1021/acs.jmedchem.8b00605 | ||
| 46208367 | 90356 | 13 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
| CHEMBL2204263 | 90356 | 13 | None | - | 1 | Mouse | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 6 | 3 | 6 | 2.5 | O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN([C@H]2CC[C@@](O)(c3cncs3)CC2)C1 | 10.1021/ml300260s | ||
| 12093170 | 7659 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | ||
| 9431 | 7659 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | ||
| CHEMBL4519152 | 7659 | 31 | None | - | 1 | Human | 5.3 | pIC50 | < | 5.3 | Binding | Guide to Pharmacology | 351 | 3 | 1 | 3 | 4.2 | Clc1ccc(c(c1)F)N1[C@H](C2CCCCC2)C(=C(C1=O)O)C(=O)C | None | ||
| 4410 | 9911 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
| 65015 | 9911 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
| 844 | 9911 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
| CHEMBL18442 | 9911 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
| DB06809 | 9911 | 106 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Binding | Drug Central | 502 | 4 | 6 | 8 | 0.4 | C1CNCCN(CCCNCCNC1)Cc1ccc(cc1)CN1CCNCCCNCCNCCC1 | None | ||
| 11598 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
| 23725177 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
| CHEMBL4442783 | 7460 | 9 | None | - | 1 | Human | 9.0 | pIC50 | = | 9.0 | Binding | Guide to Pharmacology | 506 | 6 | 2 | 6 | 3.4 | CC(=O)N[C@@H]1C[C@@H](CC[C@@H]1N1CC[C@@H](C1=O)Nc1ncnc2c1cc(cc2)C(F)(F)F)N(C(C)C)C | 30891130 | ||
| 10586 | 8920 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | ||
| 11617815 | 8920 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | ||
| CHEMBL5290248 | 8920 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | Guide to Pharmacology | 379 | 5 | 1 | 6 | 4.3 | CC[C@@H](n1c(=S)[nH]c(c1C(=O)OC)c1ccno1)c1ccc(c(c1)F)F | 18599682 | ||
| 46198579 | 9836 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | ||
| 9979 | 9836 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | ||
| DB14955 | 9836 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | Guide to Pharmacology | 511 | 6 | 1 | 7 | 2.9 | CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@](C1)(C(C)C)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncnc(c1)C(F)(F)F | None | ||
| 176 | 7186 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2157 | 7186 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 2566 | 7186 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| CHEMBL633 | 7186 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| DB01118 | 7186 | 66 | None | -3 | 31 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | None | ||
| 3117 | 214620 | 103 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
| CHEMBL964 | 214620 | 103 | None | -2 | 16 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 296 | 4 | 0 | 4 | 3.6 | CCN(CC)C(=S)SSC(=S)N(CC)CC | None | ||
| 4485 | 76154 | 118 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | None | ||
| CHEMBL193 | 76154 | 118 | None | -1 | 8 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 346 | 4 | 1 | 7 | 2.2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | None | ||
| 10585 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
| 145996522 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
| CHEMBL4531005 | 7865 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | 351 | 3 | 2 | 5 | 3.0 | Nc1nn2c(n1)[nH]c(c(c2=O)Cc1cccc(c1Cl)Cl)C(C)C | 31742400 | ||
| 11560568 | 8667 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | ||
| 3502 | 8667 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | ||
| CHEMBL1082152 | 8667 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 409 | 6 | 4 | 6 | 1.7 | OCC(CNc1cccc(c1)C1=C(C(=O)NC1=O)c1cn(c2c1cc(F)cc2)C)O | None | ||
| 44353447 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | ||
| 785 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | ||
| CHEMBL337246 | 10547 | 0 | None | - | 1 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | 433 | 6 | 2 | 3 | 3.4 | O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1C)C)CNC(=O)c1cccc(c1)C(F)(F)F | 12954060 | ||
| 781 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | ||
| 9953769 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | ||
| CHEMBL134074 | 10169 | 80 | None | - | 1 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | 417 | 4 | 1 | 5 | 5.1 | O=C1Nc2ccc(cc2C2(O1)CCN(CC2)CCc1nc(oc1C)c1ccccc1)C | 12954060 | ||
| 10436045 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | ||
| 782 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | ||
| CHEMBL432713 | 10289 | 4 | None | -85 | 13 | Human | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | 499 | 9 | 3 | 3 | 6.4 | O=C(/C=C/c1ccc(c(c1)Cl)Cl)NCCCCCN1CCC(CC1)c1c[nH]c2c1cc(O)cc2 | 12954060 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 7.2 | pKi | None | 7.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | ||
| 183790 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | ||
| 783 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 10318947 | ||
| CHEMBL1178786 | 10514 | 11 | None | -6 | 2 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | 495 | 6 | 1 | 2 | 6.8 | Cc1ccc(cc1)c1ccc2c(c1)C=C(CCC2)C(=O)Nc1ccc(cc1)C[N+](C1CCOCC1)(C)C | 12954060 | ||