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 |
| 90469674 | 171798 | 7 | None | 3 | 3 | Rat | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 945 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4468523 | 171798 | 7 | None | 3 | 3 | Rat | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 945 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 2181 | 1319 | 42 | None | 6 | 4 | Rat | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 2182 | 1319 | 42 | None | 6 | 4 | Rat | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 27991 | 1319 | 42 | None | 6 | 4 | Rat | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL1429 | 1319 | 42 | None | 6 | 4 | Rat | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL264448 | 1319 | 42 | None | 6 | 4 | Rat | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| DB00035 | 1319 | 42 | None | 6 | 4 | Rat | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 44419026 | 168475 | 17 | None | 478 | 3 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL435323 | 168475 | 17 | None | 478 | 3 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 2168 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 118476355 | 173840 | 3 | None | 5 | 3 | Rat | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1044 | 17 | 10 | 12 | 0.3 | CCN(CC)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4539370 | 173840 | 3 | None | 5 | 3 | Rat | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 1044 | 17 | 10 | 12 | 0.3 | CCN(CC)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 2168 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2810 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 644077 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL373742 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB00067 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 2168 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 2810 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 644077 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| CHEMBL373742 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| DB00067 | 3945 | 38 | None | -12 | 6 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2005.10.107 | ||||
| 90469674 | 171798 | 7 | None | -3 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 945 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4468523 | 171798 | 7 | None | -3 | 3 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 945 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 155523986 | 170886 | 0 | None | 724 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4454891 | 170886 | 0 | None | 724 | 3 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 90469608 | 172236 | 0 | None | 812 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4474518 | 172236 | 0 | None | 812 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476384 | 170849 | 0 | None | 1778 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 939 | 14 | 11 | 11 | -0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4454160 | 170849 | 0 | None | 1778 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 939 | 14 | 11 | 11 | -0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 90469675 | 171393 | 0 | None | 1412 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4462743 | 171393 | 0 | None | 1412 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476338 | 173367 | 0 | None | 2290 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4528032 | 173367 | 0 | None | 2290 | 3 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 957 | 15 | 12 | 13 | -1.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476337 | 173565 | 0 | None | 1584 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4533159 | 173565 | 0 | None | 1584 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476357 | 175566 | 0 | None | 2630 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 1032 | 16 | 12 | 13 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4579754 | 175566 | 0 | None | 2630 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 1032 | 16 | 12 | 13 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476361 | 173711 | 0 | None | 363 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4536454 | 173711 | 0 | None | 363 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 1034 | 16 | 11 | 13 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476343 | 174073 | 0 | None | 1174 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 963 | 14 | 10 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4544907 | 174073 | 0 | None | 1174 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 963 | 14 | 10 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476360 | 173538 | 0 | None | 2691 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4532363 | 173538 | 0 | None | 2691 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 975 | 15 | 11 | 12 | -0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 155535667 | 172035 | 0 | None | 562 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1116 | 18 | 11 | 14 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4472007 | 172035 | 0 | None | 562 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 1116 | 18 | 11 | 14 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476369 | 170167 | 0 | None | 3388 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 885 | 13 | 9 | 12 | -0.4 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCN)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4444891 | 170167 | 0 | None | 3388 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 885 | 13 | 9 | 12 | -0.4 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCN)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476336 | 171187 | 0 | None | 630 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4459424 | 171187 | 0 | None | 630 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476365 | 173826 | 0 | None | 794 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1078 | 17 | 11 | 12 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4539100 | 173826 | 0 | None | 794 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1078 | 17 | 11 | 12 | 0.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 2181 | 1319 | 42 | None | -6 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 2182 | 1319 | 42 | None | -6 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 27991 | 1319 | 42 | None | -6 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL1429 | 1319 | 42 | None | -6 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| CHEMBL264448 | 1319 | 42 | None | -6 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| DB00035 | 1319 | 42 | None | -6 | 4 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.9b00132 | ||||
| 132095331 | 175200 | 0 | None | 645 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4571464 | 175200 | 0 | None | 645 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476362 | 170924 | 0 | None | 575 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1048 | 17 | 11 | 13 | -0.2 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4455496 | 170924 | 0 | None | 575 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1048 | 17 | 11 | 13 | -0.2 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476356 | 172185 | 0 | None | 1513 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1042 | 17 | 11 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4473843 | 172185 | 0 | None | 1513 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1042 | 17 | 11 | 12 | -0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476335 | 170293 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4446853 | 170293 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476329 | 173142 | 0 | None | 954 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4521807 | 173142 | 0 | None | 954 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476347 | 175311 | 0 | None | 501 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 975 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4574065 | 175311 | 0 | None | 501 | 2 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 975 | 14 | 10 | 11 | 0.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476358 | 170644 | 0 | None | 2089 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1028 | 16 | 11 | 12 | -0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4451555 | 170644 | 0 | None | 2089 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1028 | 16 | 11 | 12 | -0.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NC2CC2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476331 | 173502 | 0 | None | 2089 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4531173 | 173502 | 0 | None | 2089 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1060 | 17 | 12 | 13 | -0.8 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476355 | 173840 | 3 | None | -5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1044 | 17 | 10 | 12 | 0.3 | CCN(CC)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4539370 | 173840 | 3 | None | -5 | 3 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1044 | 17 | 10 | 12 | 0.3 | CCN(CC)C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476366 | 174029 | 0 | None | 741 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1044 | 18 | 11 | 12 | 0.3 | CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4543908 | 174029 | 0 | None | 741 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1044 | 18 | 11 | 12 | 0.3 | CCCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476346 | 174491 | 0 | None | 588 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1060 | 17 | 12 | 13 | -0.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4555263 | 174491 | 0 | None | 588 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1060 | 17 | 12 | 13 | -0.2 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476341 | 170658 | 0 | None | 1288 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1002 | 15 | 11 | 12 | -0.8 | CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4451692 | 170658 | 0 | None | 1288 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1002 | 15 | 11 | 12 | -0.8 | CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476385 | 174587 | 0 | None | 169 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1038 | 17 | 11 | 11 | 0.1 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4557473 | 174587 | 0 | None | 169 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 1038 | 17 | 11 | 11 | 0.1 | CC(C)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476359 | 171385 | 0 | None | 524 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1026 | 16 | 12 | 12 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4462616 | 171385 | 0 | None | 524 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1026 | 16 | 12 | 12 | -1.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 90468623 | 174138 | 0 | None | 588 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4546884 | 174138 | 0 | None | 588 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1016 | 16 | 11 | 12 | -0.5 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476342 | 174570 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4557118 | 174570 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1044 | 17 | 11 | 12 | 0.2 | CC(C)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 155513872 | 169774 | 0 | None | 331 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1128 | 18 | 11 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4439313 | 169774 | 0 | None | 331 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1128 | 18 | 11 | 13 | 0.8 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCCc2cccs2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476383 | 169734 | 0 | None | 457 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 957 | 14 | 10 | 10 | 0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4438723 | 169734 | 0 | None | 457 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 957 | 14 | 10 | 10 | 0.1 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476348 | 173498 | 0 | None | 457 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1096 | 17 | 11 | 13 | 0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4531053 | 173498 | 0 | None | 457 | 3 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1096 | 17 | 11 | 13 | 0.6 | CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CSC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 118476344 | 173354 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1034 | 16 | 11 | 13 | -0.2 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4527761 | 173354 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1034 | 16 | 11 | 13 | -0.2 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476367 | 170177 | 0 | None | 758 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1030 | 17 | 11 | 12 | -0.1 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4445168 | 170177 | 0 | None | 758 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 1030 | 17 | 11 | 12 | -0.1 | CCCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476332 | 169518 | 0 | None | 630 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 987 | 15 | 11 | 11 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4435502 | 169518 | 0 | None | 630 | 2 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 987 | 15 | 11 | 11 | -0.5 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.9b00132 | ||
| 155542670 | 173136 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 969 | 16 | 11 | 12 | -0.7 | CCc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccs3)NC2=O)cc1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4521602 | 173136 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 969 | 16 | 11 | 12 | -0.7 | CCc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccs3)NC2=O)cc1 | 10.1021/acs.jmedchem.9b00132 | ||
| 118476339 | 172773 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1028 | 16 | 11 | 12 | -0.3 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4513567 | 172773 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1028 | 16 | 11 | 12 | -0.3 | CCNC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| 90469676 | 174381 | 0 | None | 2089 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 955 | 15 | 11 | 12 | -0.9 | Cc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccs3)NC2=O)cc1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4552500 | 174381 | 0 | None | 2089 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 955 | 15 | 11 | 12 | -0.9 | Cc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3cccs3)NC2=O)cc1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL1819440 | 208990 | 23 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 118476333 | 169587 | 0 | None | 1288 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1030 | 16 | 11 | 12 | -0.1 | CC(C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL4436571 | 169587 | 0 | None | 1288 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 1030 | 16 | 11 | 12 | -0.1 | CC(C)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/acs.jmedchem.9b00132 | ||
| CHEMBL1819440 | 208990 | 23 | None | -1 | 5 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 3537 | 3973 | 22 | None | 3 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 3973 | 22 | None | 3 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 4 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 3537 | 3973 | 22 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| 5311500 | 3973 | 22 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 4 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| 44520851 | 199776 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594026 | 199776 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 44520849 | 201690 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL606464 | 201690 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 44520852 | 199685 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL593325 | 199685 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 44520850 | 199841 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594488 | 199841 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 44520880 | 12545 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.0 | CC1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186825 | 12545 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.0 | CC1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL479918 | 12545 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.0 | CC1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1819441 | 208991 | 0 | None | -18 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819441 | 208991 | 0 | None | -18 | 4 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 9824954 | 73831 | 0 | None | 43 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL201889 | 73831 | 0 | None | 43 | 3 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 9959174 | 194464 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL487164 | 194464 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL528996 | 194464 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 9959174 | 194464 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL487164 | 194464 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL528996 | 194464 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| 10281429 | 188329 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 568 | 7 | 1 | 4 | 4.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL501078 | 188329 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 568 | 7 | 1 | 4 | 4.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 25181105 | 188894 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 463 | 5 | 2 | 2 | 5.8 | CCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL507816 | 188894 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8 | Functional | ChEMBL | 463 | 5 | 2 | 2 | 5.8 | CCc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| 25178785 | 176719 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 3.8 | COC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| CHEMBL460303 | 176719 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 449 | 4 | 1 | 4 | 3.8 | COC(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| 18759824 | 189819 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 448 | 5 | 2 | 3 | 3.4 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N1CCCC1 | 10.1021/jm8008162 | ||
| CHEMBL516629 | 189819 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | 448 | 5 | 2 | 3 | 3.4 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N1CCCC1 | 10.1021/jm8008162 | ||
| 25180885 | 180316 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 464 | 4 | 1 | 4 | 3.2 | Cc1cc(C(=O)N2CCCOc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL475129 | 180316 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 464 | 4 | 1 | 4 | 3.2 | Cc1cc(C(=O)N2CCCOc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 44520882 | 12549 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186831 | 12549 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL480104 | 12549 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 145963213 | 161457 | 0 | None | -309 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4127791 | 161457 | 0 | None | -309 | 4 | Human | 5.0 | pEC50 | = | 5.0 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 25178587 | 174566 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.3 | COc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc21 | 10.1021/jm8008162 | ||
| CHEMBL455696 | 174566 | 0 | None | - | 1 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | 465 | 5 | 2 | 3 | 5.3 | COc1cc(CNC(=O)Nc2c(F)cccc2F)ccc1C(=O)N1CCCCc2ccccc21 | 10.1021/jm8008162 | ||
| 11169 | 794 | 37 | None | -173 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 131676677 | 794 | 37 | None | -173 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 16681432 | 794 | 37 | None | -173 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 495 | 794 | 37 | None | -173 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL3301668 | 794 | 37 | None | -173 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| DB01282 | 794 | 37 | None | -173 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 44520881 | 12546 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186826 | 12546 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL479919 | 12546 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1817671 | 208959 | 0 | None | -61 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817671 | 208959 | 0 | None | -61 | 3 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819548 | 209000 | 0 | None | -218 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819554 | 209005 | 0 | None | -1513 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 25178963 | 180487 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 499 | 4 | 1 | 4 | 3.8 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL475333 | 180487 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 499 | 4 | 1 | 4 | 3.8 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 18759822 | 190761 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 5 | 2 | 4 | 4.1 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)OC(C)(C)C | 10.1021/jm8008162 | ||
| CHEMBL518349 | 190761 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 451 | 5 | 2 | 4 | 4.1 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)OC(C)(C)C | 10.1021/jm8008162 | ||
| CHEMBL1819548 | 209000 | 0 | None | -218 | 4 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362156 | 64590 | 0 | None | -17 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817690 | 64590 | 0 | None | -17 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819553 | 209004 | 0 | None | -93 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819554 | 209005 | 0 | None | -1513 | 4 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362156 | 64590 | 0 | None | -17 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817690 | 64590 | 0 | None | -17 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 1035 | 19 | 11 | 16 | -4.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)N(C)OC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819553 | 209004 | 0 | None | -93 | 3 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 10456892 | 66035 | 0 | None | -74 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 3.0 | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837041 | 66035 | 0 | None | -74 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 3.0 | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 44563579 | 174567 | 0 | None | -6 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 449 | 4 | 2 | 2 | 5.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL455699 | 174567 | 0 | None | -6 | 2 | Rat | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 449 | 4 | 2 | 2 | 5.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| 25178591 | 173391 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 413 | 4 | 2 | 2 | 5.3 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccccc1 | 10.1021/jm8008162 | ||
| CHEMBL452853 | 173391 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 413 | 4 | 2 | 2 | 5.3 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccccc1 | 10.1021/jm8008162 | ||
| CHEMBL1817705 | 208964 | 0 | None | -512 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817705 | 208964 | 0 | None | -512 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817706 | 208965 | 0 | None | -1348 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 21083206 | 174220 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 430 | 4 | 3 | 3 | 4.0 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccc[nH]c1=O | 10.1021/jm8008162 | ||
| CHEMBL454894 | 174220 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 430 | 4 | 3 | 3 | 4.0 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccc[nH]c1=O | 10.1021/jm8008162 | ||
| 15896091 | 176728 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 4 | 3.3 | CCOC(=O)CNC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| CHEMBL460319 | 176728 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 423 | 6 | 2 | 4 | 3.3 | CCOC(=O)CNC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| 18759812 | 176729 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)OC(C)C | 10.1021/jm8008162 | ||
| CHEMBL460320 | 176729 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 437 | 6 | 2 | 4 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)OC(C)C | 10.1021/jm8008162 | ||
| 25180887 | 193200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 499 | 4 | 1 | 4 | 3.8 | Cc1cc(C(=O)N2CCc3cccn3-c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL523596 | 193200 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | 499 | 4 | 1 | 4 | 3.8 | Cc1cc(C(=O)N2CCc3cccn3-c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL1817706 | 208965 | 0 | None | -1348 | 5 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 25180697 | 179206 | 0 | None | -3 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 506 | 6 | 1 | 4 | 3.8 | CCO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| CHEMBL472697 | 179206 | 0 | None | -3 | 2 | Rat | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 506 | 6 | 1 | 4 | 3.8 | CCO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| 18759808 | 176878 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 462 | 5 | 2 | 3 | 3.8 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N1CCCCC1 | 10.1021/jm8008162 | ||
| CHEMBL461725 | 176878 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 462 | 5 | 2 | 3 | 3.8 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N1CCCCC1 | 10.1021/jm8008162 | ||
| 10298385 | 190564 | 33 | None | -6 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL518043 | 190564 | 33 | None | -6 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL1819542 | 208994 | 9 | None | -1258 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819542 | 208994 | 9 | None | -1258 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 44520861 | 180795 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL475684 | 180795 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 53362548 | 64603 | 0 | None | -602 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64603 | 0 | None | -602 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817702 | 208961 | 0 | None | -4786 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362548 | 64603 | 0 | None | -602 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817751 | 64603 | 0 | None | -602 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 991 | 17 | 12 | 15 | -4.8 | CCNC(=O)C[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 53362202 | 64591 | 0 | None | -13 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817691 | 64591 | 0 | None | -13 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817702 | 208961 | 0 | None | -4786 | 4 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53362155 | 64773 | 0 | None | -1513 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819560 | 64773 | 0 | None | -1513 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| 53362202 | 64591 | 0 | None | -13 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817691 | 64591 | 0 | None | -13 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 1007 | 18 | 13 | 16 | -4.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| 25178962 | 180315 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 498 | 4 | 1 | 3 | 4.3 | Cc1cc(C(=O)N2CCCC(F)(F)c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL475128 | 180315 | 0 | None | - | 1 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 498 | 4 | 1 | 3 | 4.3 | Cc1cc(C(=O)N2CCCC(F)(F)c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 53362155 | 64773 | 0 | None | -1513 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819560 | 64773 | 0 | None | -1513 | 3 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | 1021 | 19 | 12 | 16 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NOC)NC1=O | 10.1021/jm200278m | ||
| 21083210 | 174565 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 453 | 4 | 2 | 2 | 5.4 | O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)c(F)c1)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL455695 | 174565 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 453 | 4 | 2 | 2 | 5.4 | O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)c(F)c1)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| 15896092 | 176727 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 5 | 3 | 3 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)O | 10.1021/jm8008162 | ||
| CHEMBL460318 | 176727 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 395 | 5 | 3 | 3 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)O | 10.1021/jm8008162 | ||
| CHEMBL1817708 | 208967 | 0 | None | -234 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2173 | 2935 | 13 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| 3038506 | 2935 | 13 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL332447 | 2935 | 13 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| DB05838 | 2935 | 13 | None | -1 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145961670 | 161340 | 0 | None | -1348 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4126100 | 161340 | 0 | None | -1348 | 4 | Human | 4.7 | pEC50 | = | 4.7 | Functional | ChEMBL | 1139 | 19 | 14 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccccc2CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL1817708 | 208967 | 0 | None | -234 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNCCC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 44563579 | 174567 | 0 | None | 6 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 449 | 4 | 2 | 2 | 5.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL455699 | 174567 | 0 | None | 6 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 449 | 4 | 2 | 2 | 5.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| 10162731 | 176966 | 0 | None | 17 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 478 | 4 | 2 | 4 | 2.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL462574 | 176966 | 0 | None | 17 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 478 | 4 | 2 | 4 | 2.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 44520848 | 199921 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 534 | 5 | 2 | 5 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594953 | 199921 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 534 | 5 | 2 | 5 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| 44563371 | 178913 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 536 | 7 | 1 | 5 | 3.6 | COC(OC)C1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| CHEMBL470326 | 178913 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 536 | 7 | 1 | 5 | 3.6 | COC(OC)C1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| CHEMBL1819549 | 209001 | 0 | None | -323 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819549 | 209001 | 0 | None | -323 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccsc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 53363016 | 64770 | 0 | None | -34 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819557 | 64770 | 0 | None | -34 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 2042 | 2962 | 58 | None | -26 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 2962 | 58 | None | -26 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 2962 | 58 | None | -26 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 2962 | 58 | None | -26 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 2962 | 58 | None | -26 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 2962 | 58 | None | -26 | 5 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 18759802 | 176951 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 394 | 5 | 3 | 3 | 2.3 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(N)=O | 10.1021/jm8008162 | ||
| CHEMBL462409 | 176951 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 394 | 5 | 3 | 3 | 2.3 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(N)=O | 10.1021/jm8008162 | ||
| 53363016 | 64770 | 0 | None | -34 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819557 | 64770 | 0 | None | -34 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 1005 | 18 | 12 | 15 | -4.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 10345610 | 66034 | 0 | None | -204 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 422 | 2 | 0 | 6 | 3.6 | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837040 | 66034 | 0 | None | -204 | 2 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 422 | 2 | 0 | 6 | 3.6 | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 25180884 | 179485 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 4 | 1 | 3 | 4.3 | Cc1cc(C(=O)N2CCCC(C)c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL474120 | 179485 | 0 | None | - | 1 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | 476 | 4 | 1 | 3 | 4.3 | Cc1cc(C(=O)N2CCCC(C)c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 25178961 | 179483 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 478 | 4 | 2 | 4 | 3.2 | Cc1cc(C(=O)N2CCCC(O)c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL474119 | 179483 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 478 | 4 | 2 | 4 | 3.2 | Cc1cc(C(=O)N2CCCC(O)c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 135506374 | 137875 | 23 | None | -48 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3763342 | 137875 | 23 | None | -48 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 581 | 5 | 4 | 8 | 4.1 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCN(Cc2cc(O)cc(O)c2)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| 10298385 | 190564 | 33 | None | 6 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL518043 | 190564 | 33 | None | 6 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL1819547 | 208999 | 0 | None | -131 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819547 | 208999 | 0 | None | -131 | 4 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cscn2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 208966 | 0 | None | -1621 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1817707 | 208966 | 0 | None | -1621 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 53362259 | 64595 | 0 | None | -645 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817696 | 64595 | 0 | None | -645 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| 53363017 | 64771 | 0 | None | -67 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819558 | 64771 | 0 | None | -67 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 11454 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53362259 | 64595 | 0 | None | -645 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817696 | 64595 | 0 | None | -645 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 993 | 17 | 13 | 16 | -5.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NO)NC1=O | 10.1021/jm200278m | ||
| 53363017 | 64771 | 0 | None | -67 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819558 | 64771 | 0 | None | -67 | 3 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 1019 | 19 | 12 | 15 | -4.0 | CCNC(=O)CC[C@@H]1NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||
| 11237434 | 66030 | 10 | None | -102 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837037 | 66030 | 10 | None | -102 | 2 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 25178960 | 179233 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CC(=O)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL472900 | 179233 | 0 | None | - | 1 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | 476 | 4 | 1 | 4 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CC(=O)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 25178784 | 176722 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.1 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)NCc1ccccc1 | 10.1021/jm8008162 | ||
| CHEMBL460308 | 176722 | 0 | None | - | 1 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 484 | 7 | 3 | 3 | 4.1 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)NCc1ccccc1 | 10.1021/jm8008162 | ||
| 11454 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| 53330936 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817709 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| DB12495 | 3551 | 11 | None | -4786 | 5 | Human | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | None | None | None | None | 10.1021/jm200278m | ||||
| CHEMBL1817704 | 208963 | 0 | None | -2238 | 5 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2042 | 2962 | 58 | None | -26 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2174 | 2962 | 58 | None | -26 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2176 | 2962 | 58 | None | -26 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 439302 | 2962 | 58 | None | -26 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL395429 | 2962 | 58 | None | -26 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00107 | 2962 | 58 | None | -26 | 5 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL1817704 | 208963 | 0 | None | -2238 | 5 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 44520879 | 12702 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 536 | 5 | 1 | 4 | 5.7 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1187728 | 12702 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 536 | 5 | 1 | 4 | 5.7 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL516757 | 12702 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 536 | 5 | 1 | 4 | 5.7 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 25180696 | 176924 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 478 | 4 | 1 | 3 | 4.5 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL462212 | 176924 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 478 | 4 | 1 | 3 | 4.5 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/jm8008162 | ||
| 25180311 | 174571 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 431 | 4 | 2 | 2 | 5.4 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccccc1F | 10.1021/jm8008162 | ||
| CHEMBL455717 | 174571 | 0 | None | - | 1 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 431 | 4 | 2 | 2 | 5.4 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1ccccc1F | 10.1021/jm8008162 | ||
| 53362154 | 64772 | 0 | None | -144 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819559 | 64772 | 0 | None | -144 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| 53362154 | 64772 | 0 | None | -144 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1819559 | 64772 | 0 | None | -144 | 3 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 1047 | 20 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)NCC(C)C)NC1=O | 10.1021/jm200278m | ||
| 56672570 | 66031 | 0 | None | -9 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 438 | 2 | 0 | 7 | 3.8 | COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837038 | 66031 | 0 | None | -9 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 438 | 2 | 0 | 7 | 3.8 | COC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1819550 | 209002 | 0 | None | -151 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819550 | 209002 | 0 | None | -151 | 4 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 25180695 | 176847 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 6 | 1 | 3 | 4.5 | CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| CHEMBL461519 | 176847 | 0 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | 490 | 6 | 1 | 3 | 4.5 | CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| 145960494 | 161537 | 0 | None | -33 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4128839 | 161537 | 0 | None | -33 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1081 | 17 | 11 | 14 | -0.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2ccc(cc2)SC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 15896094 | 189837 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 409 | 5 | 2 | 4 | 3.0 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| CHEMBL516788 | 189837 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 409 | 5 | 2 | 4 | 3.0 | COC(=O)CNC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1C | 10.1021/jm8008162 | ||
| CHEMBL1817752 | 208969 | 0 | None | -2691 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817752 | 208969 | 0 | None | -2691 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 25178787 | 176848 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL461520 | 176848 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL1819556 | 209007 | 0 | None | -407 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819556 | 209007 | 0 | None | -407 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C2(CCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817761 | 208978 | 0 | None | -1202 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 25178786 | 176972 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 5.0 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C | 10.1021/jm8008162 | ||
| CHEMBL462595 | 176972 | 0 | None | - | 1 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | 491 | 4 | 1 | 4 | 5.0 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C | 10.1021/jm8008162 | ||
| CHEMBL1817761 | 208978 | 0 | None | -1202 | 5 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 145962220 | 161553 | 0 | None | -114 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| CHEMBL4129142 | 161553 | 0 | None | -114 | 4 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 1095 | 17 | 11 | 14 | -0.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/j.bmc.2018.03.019 | ||
| 145976595 | 163691 | 0 | None | 2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 163691 | 0 | None | 2 | 3 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1819541 | 208993 | 0 | None | -17 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819541 | 208993 | 0 | None | -17 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 42629368 | 182641 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 3 | 1 | 4 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478902 | 182641 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 457 | 3 | 1 | 4 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 25180697 | 179206 | 0 | None | 3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 506 | 6 | 1 | 4 | 3.8 | CCO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| CHEMBL472697 | 179206 | 0 | None | 3 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 506 | 6 | 1 | 4 | 3.8 | CCO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| 10206789 | 189693 | 0 | None | 13 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 492 | 5 | 1 | 4 | 3.4 | CO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| CHEMBL515607 | 189693 | 0 | None | 13 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 492 | 5 | 1 | 4 | 3.4 | CO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| 25181104 | 189060 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 469 | 4 | 2 | 2 | 5.9 | O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL509960 | 189060 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 469 | 4 | 2 | 2 | 5.9 | O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| 10444 | 2312 | 14 | None | -9 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -9 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -9 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -9 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 10162731 | 176966 | 0 | None | -17 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 4 | 2 | 4 | 2.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL462574 | 176966 | 0 | None | -17 | 2 | Rat | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 478 | 4 | 2 | 4 | 2.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 25178959 | 189294 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 534 | 5 | 1 | 4 | 4.5 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](OC(C)(C)C)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL512349 | 189294 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 534 | 5 | 1 | 4 | 4.5 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1C[C@H](OC(C)(C)C)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL1819552 | 209003 | 0 | None | -42 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 9954641 | 174572 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 435 | 4 | 2 | 2 | 5.3 | O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL455718 | 174572 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 435 | 4 | 2 | 2 | 5.3 | O=C(NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL1819552 | 209003 | 0 | None | -42 | 3 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 44563370 | 179359 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 512 | 5 | 1 | 3 | 4.2 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CC(C(F)F)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL473917 | 179359 | 0 | None | - | 1 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 512 | 5 | 1 | 3 | 4.2 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CC(C(F)F)C[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 6918573 | 65247 | 3 | None | 1 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 422 | 5 | 2 | 3 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL182852 | 65247 | 3 | None | 1 | 2 | Rat | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 422 | 5 | 2 | 3 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/jm8008162 | ||
| 53362547 | 64602 | 0 | None | -1348 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817750 | 64602 | 0 | None | -1348 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 53362547 | 64602 | 0 | None | -1348 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| CHEMBL1817750 | 64602 | 0 | None | -1348 | 3 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 977 | 16 | 12 | 15 | -5.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NC)NC1=O | 10.1021/jm200278m | ||
| 6918573 | 65247 | 3 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 422 | 5 | 2 | 3 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL182852 | 65247 | 3 | None | -1 | 2 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 422 | 5 | 2 | 3 | 2.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)N(C)C | 10.1021/jm8008162 | ||
| 42629369 | 182170 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478283 | 182170 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 42629369 | 182170 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL478283 | 182170 | 0 | None | - | 1 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| 44520872 | 12578 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 1 | 5 | 5.3 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186989 | 12578 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 1 | 5 | 5.3 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL485760 | 12578 | 0 | None | - | 1 | Human | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 533 | 5 | 1 | 5 | 5.3 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 44520883 | 12663 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 5 | 1 | 4 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1187505 | 12663 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 5 | 1 | 4 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL505517 | 12663 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 564 | 5 | 1 | 4 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 10206789 | 189693 | 0 | None | -13 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 1 | 4 | 3.4 | CO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| CHEMBL515607 | 189693 | 0 | None | -13 | 2 | Rat | 7.2 | pEC50 | = | 7.2 | Functional | ChEMBL | 492 | 5 | 1 | 4 | 3.4 | CO[C@@H]1C[C@@H](C(=O)N(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4ccccc43)cc2C)C1 | 10.1021/jm8008162 | ||
| 10444 | 2312 | 14 | None | -9 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -9 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -9 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -9 | 4 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 11169 | 794 | 37 | None | -173 | 5 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 131676677 | 794 | 37 | None | -173 | 5 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 16681432 | 794 | 37 | None | -173 | 5 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 495 | 794 | 37 | None | -173 | 5 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL3301668 | 794 | 37 | None | -173 | 5 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| DB01282 | 794 | 37 | None | -173 | 5 | Human | 5.2 | pEC50 | = | 5.2 | Functional | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/acs.jmedchem.8b00697 | ||||
| 25180508 | 176970 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 4 | 2 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm8008162 | ||
| CHEMBL462590 | 176970 | 0 | None | - | 1 | Human | 6.2 | pEC50 | = | 6.2 | Functional | ChEMBL | 435 | 4 | 2 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)O | 10.1021/jm8008162 | ||
| CHEMBL1819543 | 208995 | 0 | None | -144 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817703 | 208962 | 0 | None | -24 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817703 | 208962 | 0 | None | -24 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819543 | 208995 | 0 | None | -144 | 4 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 25180507 | 189888 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 4.5 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)OCc1ccccc1 | 10.1021/jm8008162 | ||
| CHEMBL516985 | 189888 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 485 | 7 | 2 | 4 | 4.5 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)OCc1ccccc1 | 10.1021/jm8008162 | ||
| CHEMBL1819555 | 209006 | 0 | None | -3019 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1819555 | 209006 | 0 | None | -3019 | 4 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 2042 | 2962 | 58 | None | -26 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2174 | 2962 | 58 | None | -26 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 2176 | 2962 | 58 | None | -26 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 439302 | 2962 | 58 | None | -26 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| CHEMBL395429 | 2962 | 58 | None | -26 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| DB00107 | 2962 | 58 | None | -26 | 5 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00697 | ||||
| 21083212 | 174217 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 463 | 4 | 2 | 2 | 5.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)cc(C)c1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL454892 | 174217 | 1 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 463 | 4 | 2 | 2 | 5.9 | Cc1cc(C(=O)N2CCCCc3ccccc32)cc(C)c1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| 25178592 | 176950 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 4.4 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)Oc1ccccc1 | 10.1021/jm8008162 | ||
| CHEMBL462408 | 176950 | 0 | None | - | 1 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 471 | 6 | 2 | 4 | 4.4 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)NCC(=O)Oc1ccccc1 | 10.1021/jm8008162 | ||
| 25180886 | 180840 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 4 | 1 | 3 | 4.6 | Cc1cc(C(=O)N2CCc3ccccc3-c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL475733 | 180840 | 0 | None | - | 1 | Human | 7.1 | pEC50 | = | 7.1 | Functional | ChEMBL | 510 | 4 | 1 | 3 | 4.6 | Cc1cc(C(=O)N2CCc3ccccc3-c3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 135413563 | 122904 | 25 | None | -107 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL360648 | 122904 | 25 | None | -107 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1819540 | 208992 | 0 | None | -64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| CHEMBL1819540 | 208992 | 0 | None | -64 | 3 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | None | None | None | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm200278m | ||||
| 25180509 | 189817 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 477 | 5 | 1 | 4 | 4.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)OC(C)C | 10.1021/jm8008162 | ||
| CHEMBL516627 | 189817 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | 477 | 5 | 1 | 4 | 4.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)OC(C)C | 10.1021/jm8008162 | ||
| CHEMBL1817756 | 208973 | 0 | None | -1548 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817756 | 208973 | 0 | None | -1548 | 5 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccco2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817770 | 208987 | 0 | None | -691 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| CHEMBL1817770 | 208987 | 0 | None | -691 | 4 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm200278m | ||||
| 10411308 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL603708 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44357890 | 168369 | 0 | None | 39 | 3 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | ||
| CHEMBL434654 | 168369 | 0 | None | 39 | 3 | Human | 9.0 | pIC50 | = | 9.0 | Functional | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | ||
| 11432362 | 94108 | 0 | None | -1 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249340 | 94108 | 0 | None | -1 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 10461417 | 107274 | 0 | None | -7 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL317243 | 107274 | 0 | None | -7 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44352783 | 116755 | 0 | None | 4 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL337725 | 116755 | 0 | None | 4 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44336404 | 110932 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL326225 | 110932 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 25132999 | 154879 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 572 | 5 | 2 | 5 | 6.0 | COc1cc(C(=O)N2CC[C@]3(C=C(C4=NCCN4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400860 | 154879 | 0 | None | -3 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 572 | 5 | 2 | 5 | 6.0 | COc1cc(C(=O)N2CC[C@]3(C=C(C4=NCCN4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 151171 | 1155 | 50 | None | -3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 216322 | 1155 | 50 | None | -3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 2203 | 1155 | 50 | None | -3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 732 | 1155 | 50 | None | -3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1755 | 1155 | 50 | None | -3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| DB00872 | 1155 | 50 | None | -3 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 25133000 | 94165 | 0 | None | 2 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 626 | 6 | 3 | 6 | 4.4 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)NS(N)(=O)=O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249740 | 94165 | 0 | None | 2 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 626 | 6 | 3 | 6 | 4.4 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)NS(N)(=O)=O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 216237 | 3814 | 89 | None | 41 | 7 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| 2226 | 3814 | 89 | None | 41 | 7 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| 4110 | 3814 | 89 | None | 41 | 7 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL344159 | 3814 | 89 | None | 41 | 7 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| 11261339 | 154596 | 0 | None | -2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399289 | 154596 | 0 | None | -2 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 145976595 | 163691 | 0 | None | 2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 163691 | 0 | None | 2 | 3 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 23598597 | 94068 | 0 | None | 91 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 5.8 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(C=C(C(=O)O)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249133 | 94068 | 0 | None | 91 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 528 | 5 | 2 | 4 | 5.8 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(C=C(C(=O)O)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2007.09.059 | ||
| 11238362 | 168884 | 0 | None | -5 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL438523 | 168884 | 0 | None | -5 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 11683187 | 199909 | 44 | None | -20 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL594828 | 199909 | 44 | None | -20 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 168289573 | 191815 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 572 | 8 | 2 | 4 | 7.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCCCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5198918 | 191815 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 572 | 8 | 2 | 4 | 7.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCCCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 44336636 | 164141 | 0 | None | -7 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL421039 | 164141 | 0 | None | -7 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 23598642 | 154780 | 0 | None | -2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400267 | 154780 | 0 | None | -2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 23598641 | 94248 | 0 | None | -6 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL250346 | 94248 | 0 | None | -6 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| 44336784 | 109181 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL321656 | 109181 | 0 | None | -1 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 135192997 | 173806 | 0 | None | -489 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 8 | 0 | 7 | 3.7 | COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4538696 | 173806 | 0 | None | -489 | 4 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 461 | 8 | 0 | 7 | 3.7 | COc1ccc(-n2c(COCCF)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 168294659 | 192377 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 574 | 8 | 1 | 5 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5207885 | 192377 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 574 | 8 | 1 | 5 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 135192979 | 175814 | 0 | None | -125 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4585239 | 175814 | 0 | None | -125 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 485 | 7 | 0 | 8 | 3.5 | COc1ccc(-n2c(CO[C@H]3CCOC3)nnc2N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)cn1 | 10.1021/acsmedchemlett.9b00186 | ||
| 135192928 | 174880 | 0 | None | -851 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4564411 | 174880 | 0 | None | -851 | 4 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 11683187 | 199909 | 44 | None | -20 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL594828 | 199909 | 44 | None | -20 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 419 | 7 | 0 | 8 | 2.9 | COCc1nnc(N2CC(Oc3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 11157078 | 94166 | 7 | None | -2 | 4 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249741 | 94166 | 7 | None | -2 | 4 | Rat | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44352804 | 18927 | 0 | None | 24 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL128688 | 18927 | 0 | None | 24 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 9828129 | 116595 | 0 | None | 91 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL336825 | 116595 | 0 | None | 91 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44336379 | 107390 | 0 | None | -6 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL318083 | 107390 | 0 | None | -6 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 135192983 | 176094 | 14 | None | -2137 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4591825 | 176094 | 14 | None | -2137 | 4 | Human | 4.5 | pIC50 | = | 4.5 | Functional | ChEMBL | 429 | 6 | 0 | 7 | 3.4 | COCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 44377836 | 57503 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL166261 | 57503 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 44336768 | 163328 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL419183 | 163328 | 0 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44444762 | 154705 | 0 | None | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399888 | 154705 | 0 | None | -1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 54582950 | 63007 | 0 | None | -3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788220 | 63007 | 0 | None | -3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44352757 | 118428 | 0 | None | 58 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL341173 | 118428 | 0 | None | 58 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 23598595 | 154779 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400266 | 154779 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 25132666 | 94500 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 572 | 5 | 2 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@]3(C=C(c4nnn[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL251715 | 94500 | 0 | None | 1 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 572 | 5 | 2 | 6 | 5.7 | COc1cc(C(=O)N2CC[C@]3(C=C(c4nnn[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44352768 | 115230 | 0 | None | 47 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL334777 | 115230 | 0 | None | 47 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 9871426 | 116985 | 0 | None | 44 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL338901 | 116985 | 0 | None | 44 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44444760 | 154595 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399288 | 154595 | 0 | None | -1 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 44336418 | 108160 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL319636 | 108160 | 0 | None | -2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 10345610 | 66034 | 0 | None | -204 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 422 | 2 | 0 | 6 | 3.6 | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837040 | 66034 | 0 | None | -204 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 422 | 2 | 0 | 6 | 3.6 | CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 23598598 | 4935 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 23598600 | 5335 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL106938 | 5335 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 172997 | 2318 | 57 | None | -4 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| 2238 | 2318 | 57 | None | -4 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL49429 | 2318 | 57 | None | -4 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| DB06666 | 2318 | 57 | None | -4 | 5 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| 11157078 | 94166 | 7 | None | -3 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249741 | 94166 | 7 | None | -3 | 4 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 9937535 | 63008 | 1 | None | -26 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788221 | 63008 | 1 | None | -26 | 4 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 9826033 | 57432 | 0 | None | -37 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165670 | 57432 | 0 | None | -37 | 3 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 9869993 | 165528 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 485 | 4 | 2 | 2 | 7.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4c[nH]c5cccc3c45)cc2)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL424183 | 165528 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 485 | 4 | 2 | 2 | 7.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4c[nH]c5cccc3c45)cc2)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 10456892 | 66035 | 0 | None | -74 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 3.0 | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837041 | 66035 | 0 | None | -74 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 458 | 3 | 0 | 7 | 3.0 | CS(=O)(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 25133001 | 94469 | 0 | None | -7 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 570 | 5 | 2 | 4 | 6.9 | COc1cc(C(=O)N2CC[C@]3(C=C(c4ncc[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL251561 | 94469 | 0 | None | -7 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 570 | 5 | 2 | 4 | 6.9 | COc1cc(C(=O)N2CC[C@]3(C=C(c4ncc[nH]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 135192932 | 171504 | 0 | None | -794 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 443 | 7 | 0 | 7 | 3.8 | CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| CHEMBL4464246 | 171504 | 0 | None | -794 | 4 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 443 | 7 | 0 | 7 | 3.8 | CCOCc1nnc(N2C[C@@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 | 10.1021/acsmedchemlett.9b00186 | ||
| 46890707 | 6695 | 0 | None | -20 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083703 | 6695 | 0 | None | -20 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 11237434 | 66030 | 10 | None | -102 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| CHEMBL1837037 | 66030 | 10 | None | -102 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 394 | 2 | 0 | 6 | 3.6 | CN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1 | 10.1016/j.bmcl.2011.08.038 | ||
| 23598598 | 4935 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | 1 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 168294720 | 192445 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 601 | 9 | 1 | 5 | 6.5 | CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5208751 | 192445 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 601 | 9 | 1 | 5 | 6.5 | CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| 172997 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| 2238 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL49429 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| DB06666 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| 172997 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| 2238 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL49429 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| DB06666 | 2318 | 57 | None | -4 | 5 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)01059-4 | ||
| 164946750 | 190102 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5173331 | 190102 | 1 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 44335330 | 160041 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 1181 | 36 | 13 | 13 | -2.0 | CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL410838 | 160041 | 0 | None | - | 0 | Rat | 8.0 | pKd | = | 8.0 | Functional | ChEMBL | 1181 | 36 | 13 | 13 | -2.0 | CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| 71458135 | 79660 | 0 | None | - | 0 | Pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2115364 | 79660 | 0 | None | - | 0 | Pig | 7.0 | pKd | = | 7 | Functional | ChEMBL | 1171 | 20 | 11 | 15 | 1.3 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)C(C)(C)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00079a020 | ||
| CHEMBL2373423 | 210354 | 0 | None | - | 0 | Rat | 7.0 | pKd | = | 7 | Functional | ChEMBL | None | None | None | COc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||||
| 44335436 | 97030 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1161 | 35 | 13 | 13 | -1.8 | CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL267111 | 97030 | 0 | None | - | 0 | Rat | 7.9 | pKd | = | 7.9 | Functional | ChEMBL | 1161 | 35 | 13 | 13 | -1.8 | CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| 44335358 | 155973 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL406184 | 155973 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL2370376 | 209817 | 0 | None | - | 0 | Rat | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||||
| CHEMBL2370381 | 209819 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||||
| CHEMBL2370380 | 209818 | 0 | None | - | 0 | Rat | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | None | None | None | CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm00173a027 | ||||
| 14730755 | 97296 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 1064 | 32 | 12 | 12 | -1.8 | CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL269251 | 97296 | 0 | None | - | 0 | Rat | 6.6 | pKd | = | 6.6 | Functional | ChEMBL | 1064 | 32 | 12 | 12 | -1.8 | CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL2373516 | 210357 | 0 | None | - | 0 | Rat | 7.4 | pKd | = | 7.4 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@@H](NC(=O)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||||
| 44335434 | 160617 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 1083 | 30 | 10 | 11 | 0.9 | CCOc1ccc(C[C@@H](NC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL411320 | 160617 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | 1083 | 30 | 10 | 11 | 0.9 | CCOc1ccc(C[C@@H](NC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL2373374 | 210353 | 0 | None | - | 0 | Rat | 7.2 | pKd | = | 7.2 | Functional | ChEMBL | None | None | None | NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm00173a027 | ||||
| CHEMBL2373441 | 210355 | 0 | None | - | 0 | Rat | 5.2 | pKd | = | 5.2 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)cc1 | 10.1021/jm00173a027 | ||||
| 44335231 | 157538 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1239 | 36 | 13 | 13 | -0.6 | CCOc1ccc(C[C@@H](NC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| CHEMBL408038 | 157538 | 0 | None | - | 0 | Rat | 8.1 | pKd | = | 8.1 | Functional | ChEMBL | 1239 | 36 | 13 | 13 | -0.6 | CCOc1ccc(C[C@@H](NC(=O)CC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCCCC(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)C(C)C)cc1 | 10.1021/jm00173a027 | ||
| 44385657 | 168203 | 0 | None | - | 0 | Pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 967 | 16 | 10 | 12 | 0.8 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL433614 | 168203 | 0 | None | - | 0 | Pig | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 967 | 16 | 10 | 12 | 0.8 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL2372280 | 210185 | 0 | None | - | 0 | Pig | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00403a001 | ||||
| 44579442 | 186804 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL489387 | 186804 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 391 | 7 | 0 | 9 | 2.7 | CCOc1ccc(-c2nnc(Cn3nccn3)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 11384094 | 178559 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467186 | 178559 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 402 | 6 | 0 | 8 | 3.6 | COCc1nnc(-c2cnc(-c3cccc(C)c3C)cn2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44325538 | 112534 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330016 | 112534 | 0 | None | - | 0 | Human | 8.0 | pKi | = | 8.0 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 46225153 | 199088 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 399 | 7 | 0 | 8 | 2.5 | COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL589128 | 199088 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 399 | 7 | 0 | 8 | 2.5 | COCc1nnc(N2CC(Oc3ccc(F)cc3C)C2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2009.11.097 | ||
| 44325345 | 111535 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328079 | 111535 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325505 | 207420 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL94133 | 207420 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44581241 | 175862 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458634 | 175862 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 495 | 8 | 0 | 6 | 5.2 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3Cl)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44386688 | 132544 | 0 | None | - | 0 | Pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 981 | 17 | 10 | 12 | 1.2 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL369806 | 132544 | 0 | None | - | 0 | Pig | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 981 | 17 | 10 | 12 | 1.2 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 10414302 | 112493 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329903 | 112493 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325332 | 207368 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93861 | 207368 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44577937 | 178558 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467185 | 178558 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 402 | 7 | 0 | 7 | 4.2 | COCc1nnc(-c2ccc(-c3ccccc3OC)cc2)n1-c1ccc(OC)nc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44325691 | 12966 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1189693 | 12966 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL539285 | 12966 | 0 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 9807250 | 78318 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2093899 | 78318 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2110044 | 78318 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325695 | 167982 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL432043 | 167982 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325362 | 207321 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93603 | 207321 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44386594 | 128175 | 0 | None | - | 0 | Pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 967 | 16 | 10 | 12 | 0.8 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL366552 | 128175 | 0 | None | - | 0 | Pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 967 | 16 | 10 | 12 | 0.8 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 44386593 | 158422 | 0 | None | - | 0 | Pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 1024 | 18 | 11 | 13 | -0.1 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL409054 | 158422 | 0 | None | - | 0 | Pig | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 1024 | 18 | 11 | 13 | -0.1 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 73354746 | 89450 | 0 | None | - | 0 | Pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 981 | 16 | 10 | 12 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00403a001 | ||
| CHEMBL2372281 | 89450 | 0 | None | - | 0 | Pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 981 | 16 | 10 | 12 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00403a001 | ||
| 9849525 | 111399 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327365 | 111399 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325558 | 112542 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330094 | 112542 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 172997 | 2318 | 57 | None | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 2238 | 2318 | 57 | None | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL49429 | 2318 | 57 | None | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| DB06666 | 2318 | 57 | None | -4 | 5 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 44325804 | 207287 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93366 | 207287 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| 44386687 | 127879 | 0 | None | - | 0 | Pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 968 | 16 | 10 | 12 | 1.4 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL366473 | 127879 | 0 | None | - | 0 | Pig | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 968 | 16 | 10 | 12 | 1.4 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 46830095 | 8231 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 376 | 5 | 0 | 5 | 4.2 | COc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1092459 | 8231 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 376 | 5 | 0 | 5 | 4.2 | COc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1 | 10.1016/j.bmcl.2010.02.018 | ||
| 46830094 | 8402 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 392 | 7 | 0 | 6 | 3.5 | COCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1093599 | 8402 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 392 | 7 | 0 | 6 | 3.5 | COCCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44581242 | 175863 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL458635 | 175863 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 475 | 8 | 0 | 6 | 4.9 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 46225118 | 201029 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| CHEMBL602641 | 201029 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 369 | 5 | 0 | 7 | 2.7 | COc1ccc(-n2c(C)nnc2N2CC(Oc3cc(F)ccc3C)C2)cn1 | 10.1016/j.bmcl.2009.11.097 | ||
| 46830096 | 7964 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 362 | 5 | 0 | 5 | 3.8 | CCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| CHEMBL1090654 | 7964 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 362 | 5 | 0 | 5 | 3.8 | CCN(C(=O)c1cnc(-c2cccc(C)c2C)cn1)c1ccc(OC)nc1 | 10.1016/j.bmcl.2010.02.018 | ||
| 44325607 | 112129 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329026 | 112129 | 0 | None | - | 0 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2372316 | 210193 | 0 | None | - | 0 | Pig | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)CCCC(C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00403a001 | ||||
| CHEMBL2372291 | 210188 | 0 | None | - | 0 | Pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSCC(C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00403a001 | ||||
| 44382370 | 141525 | 0 | None | - | 0 | Pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL384776 | 141525 | 0 | None | - | 0 | Pig | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 44325915 | 112711 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 509 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330494 | 112711 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 509 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 2198 | 3394 | 2 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 9807249 | 3394 | 2 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1192593 | 3394 | 2 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325896 | 207788 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 551 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96255 | 207788 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 551 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325895 | 207885 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96731 | 207885 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44385658 | 158828 | 0 | None | - | 0 | Pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 1025 | 18 | 11 | 13 | 0.5 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL409486 | 158828 | 0 | None | - | 0 | Pig | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 1025 | 18 | 11 | 13 | 0.5 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 44325363 | 106583 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL314290 | 106583 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 73348612 | 89438 | 0 | None | - | 0 | Pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 939 | 16 | 9 | 12 | 1.9 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL2371680 | 89438 | 0 | None | - | 0 | Pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 939 | 16 | 9 | 12 | 1.9 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@@H](CCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 44577936 | 178557 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| CHEMBL467184 | 178557 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 371 | 5 | 0 | 5 | 4.9 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 | 10.1016/j.bmcl.2008.06.098 | ||
| 44581240 | 189700 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL515660 | 189700 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 486 | 8 | 0 | 7 | 4.4 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3C#N)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44325703 | 111376 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327242 | 111376 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44375638 | 168824 | 0 | None | - | 0 | Pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| CHEMBL438014 | 168824 | 0 | None | - | 0 | Pig | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00156a015 | ||
| 44581266 | 175371 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL457544 | 175371 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 479 | 8 | 0 | 6 | 4.7 | COc1ccc(S(=O)(=O)N(Cc2ccc(-c3ccccc3F)cn2)c2ccc(OC)nc2)cc1 | 10.1016/j.bmcl.2008.11.018 | ||
| 11486351 | 192953 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| CHEMBL522255 | 192953 | 0 | None | - | 0 | Human | 5.2 | pKi | = | 5.2 | Functional | ChEMBL | 398 | 10 | 0 | 8 | 3.2 | CCOc1ccc(-c2nnc(COCCOC)n2-c2ccc(OC)nc2)cc1C | 10.1016/j.bmcl.2008.08.066 | ||
| 44325704 | 112280 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329141 | 112280 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325905 | 164253 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL421180 | 164253 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 2042 | 2962 | 58 | None | -26 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | None | -26 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | None | -26 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | None | -26 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | None | -26 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | None | -26 | 5 | Human | 8.2 | pEC50 | = | 8.2 | Functional | Drug Central | None | None | None | None | None | ||||
| 5280343 | 188251 | 124 | None | -31 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 188251 | 124 | None | -31 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 188251 | 124 | None | -31 | 12 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 2812 | 4747 | 101 | None | -16 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| CHEMBL104 | 4747 | 101 | None | -16 | 44 | Human | 8.3 | pIC50 | = | 8.3 | Functional | Drug Central | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | None | ||
| 3793 | 203186 | 77 | None | -2 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | None | ||
| 45039617 | 203186 | 77 | None | -2 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | None | ||
| CHEMBL64391 | 203186 | 77 | None | -2 | 4 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Drug Central | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | None | ||
| 3537 | 3973 | 22 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 16297621 | ||
| 5311500 | 3973 | 22 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 16297621 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 4 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 16297621 | ||
| 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 |
| 3686 | 94638 | 108 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 338 | 12 | 1 | 5 | 3.5 | COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL252556 | 94638 | 108 | None | - | 0 | Human | 5.0 | pAC50 | = | 5.0 | Binding | ChEMBL | 338 | 12 | 1 | 5 | 3.5 | COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O | 10.1038/s41467-023-40064-9 | ||
| 2335 | 11816 | 22 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 8478 | 11816 | 22 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1182210 | 11816 | 22 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL221753 | 11816 | 22 | None | - | 12 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 412 | 11 | 0 | 2 | 6.1 | CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 41684 | 31191 | 105 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1401 | 31191 | 105 | None | - | 0 | Human | 4.9 | pAC50 | = | 4.9 | Binding | ChEMBL | 307 | 4 | 1 | 7 | 2.2 | CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1 | 10.1038/s41467-023-40064-9 | ||
| 2600 | 3750 | 74 | None | - | 13 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 2608 | 3750 | 74 | None | - | 13 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 5405 | 3750 | 74 | None | - | 13 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL17157 | 3750 | 74 | None | - | 13 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| DB00342 | 3750 | 74 | None | - | 13 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 471 | 8 | 2 | 3 | 6.4 | OC(c1ccc(cc1)C(C)(C)C)CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O | 10.1038/s41467-023-40064-9 | ||
| 216416 | 111554 | 48 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL328190 | 111554 | 48 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 413 | 6 | 1 | 3 | 5.7 | Oc1ccc2c(c1)CC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 107771 | 120222 | 49 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL35228 | 120222 | 49 | None | - | 0 | Human | 4.8 | pAC50 | = | 4.8 | Binding | ChEMBL | 517 | 7 | 2 | 7 | 6.1 | COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1 | 10.1038/s41467-023-40064-9 | ||
| 214 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 2740 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 5566 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 66064 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL422 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB00831 | 3831 | 58 | None | - | 30 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 407 | 4 | 0 | 4 | 4.9 | CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 156419 | 935 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 3308 | 935 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 647 | 935 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201284 | 935 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| DB01012 | 935 | 74 | None | - | 1 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 357 | 6 | 1 | 1 | 6.1 | C[C@H](c1cccc2c1cccc2)NCCCc1cccc(c1)C(F)(F)F | 10.1038/s41467-023-40064-9 | ||
| 68617 | 205504 | 62 | None | - | 26 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1709 | 205504 | 62 | None | - | 26 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL809 | 205504 | 62 | None | - | 26 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 305 | 2 | 1 | 1 | 5.2 | CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21 | 10.1038/s41467-023-40064-9 | ||
| 212 | 3777 | 47 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 2639 | 3777 | 47 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 941651 | 3777 | 47 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201 | 3777 | 47 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| DB01623 | 3777 | 47 | None | - | 25 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 443 | 5 | 0 | 5 | 3.5 | CN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(cc2)S(=O)(=O)N(C)C | 10.1038/s41467-023-40064-9 | ||
| 135409453 | 3744 | 41 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 226 | 3744 | 41 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| CHEMBL76370 | 3744 | 41 | None | - | 2 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 301 | 7 | 3 | 3 | 2.6 | CCCCCN=C(N/N=C/c1c[nH]c2c1cc(OC)cc2)N | 10.1038/s41467-023-40064-9 | ||
| 5328940 | 100188 | 107 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| CHEMBL288441 | 100188 | 107 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 529 | 9 | 1 | 8 | 5.2 | COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl | 10.1038/s41467-023-40064-9 | ||
| 9915743 | 63512 | 93 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 556 | 11 | 2 | 8 | 5.9 | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL180022 | 63512 | 93 | None | - | 0 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 556 | 11 | 2 | 8 | 5.9 | CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C | 10.1038/s41467-023-40064-9 | ||
| 1222 | 1651 | 49 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3396 | 1651 | 49 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 85 | 1651 | 49 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL46516 | 1651 | 49 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| DB04842 | 1651 | 49 | None | - | 33 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 475 | 7 | 1 | 3 | 5.3 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 16362 | 3103 | 71 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2172 | 3103 | 71 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 90 | 3103 | 71 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1423 | 3103 | 71 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01100 | 3103 | 71 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 461 | 7 | 1 | 3 | 5.9 | Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2 | 10.1038/s41467-023-40064-9 | ||
| 191 | 402 | 98 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 201 | 402 | 98 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 2170 | 402 | 98 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1113 | 402 | 98 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| DB00543 | 402 | 98 | None | - | 29 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 313 | 0 | 1 | 4 | 3.4 | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 | 10.1038/s41467-023-40064-9 | ||
| 6436173 | 55086 | 45 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1617 | 55086 | 45 | None | - | 0 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 785 | 2 | 5 | 13 | 6.2 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 4495 | 196512 | 92 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL56367 | 196512 | 92 | None | - | 30 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 308 | 5 | 1 | 5 | 2.8 | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 2435 | 3563 | 83 | None | - | 49 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 60149 | 3563 | 83 | None | - | 49 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 98 | 3563 | 83 | None | - | 49 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL12713 | 3563 | 83 | None | - | 49 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| DB06144 | 3563 | 83 | None | - | 49 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.6 | Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1CCNC1=O | 10.1038/s41467-023-40064-9 | ||
| 176 | 397 | 66 | None | - | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2157 | 397 | 66 | None | - | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 2566 | 397 | 66 | None | - | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL633 | 397 | 66 | None | - | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| DB01118 | 397 | 66 | None | - | 31 | Human | 4.6 | pAC50 | = | 4.6 | Binding | ChEMBL | 645 | 11 | 0 | 4 | 6.9 | CCCCc1oc2c(c1C(=O)c1cc(I)c(c(c1)I)OCCN(CC)CC)cccc2 | 10.1038/s41467-023-40064-9 | ||
| 118422671 | 2737 | 65 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 1887 | 2737 | 65 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 71301 | 2737 | 65 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 7246 | 2737 | 65 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| CHEMBL434394 | 2737 | 65 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| DB04861 | 2737 | 65 | None | - | 4 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 405 | 6 | 3 | 5 | 2.4 | OC(C1CCc2c(O1)ccc(c2)F)CNCC(C1CCc2c(O1)ccc(c2)F)O | 10.1038/s41467-023-40064-9 | ||
| 135398735 | 136943 | 32 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 136262914 | 136943 | 32 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL374478 | 136943 | 32 | None | - | 0 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 822 | 4 | 6 | 15 | 4.3 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C | 10.1038/s41467-023-40064-9 | ||
| 4046 | 2466 | 33 | None | - | 2 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 4252 | 2466 | 33 | None | - | 2 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL416956 | 2466 | 33 | None | - | 2 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| DB00358 | 2466 | 33 | None | - | 2 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 378 | 2 | 2 | 3 | 4.4 | OC(c1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F)C1CCCCN1 | 10.1038/s41467-023-40064-9 | ||
| 21722 | 17960 | 31 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL126224 | 17960 | 31 | None | - | 6 | Human | 4.5 | pAC50 | = | 4.5 | Binding | ChEMBL | 284 | 4 | 0 | 2 | 4.3 | CN(C)CCCn1c2c(c3ccccc31)CCCCCC2 | 10.1038/s41467-023-40064-9 | ||
| 54585 | 14470 | 85 | None | - | 0 | Human | 4.4 | pAC50 | = | 4.4 | Binding | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201346 | 14470 | 85 | None | - | 0 | Human | 4.4 | pAC50 | = | 4.4 | Binding | ChEMBL | 357 | 7 | 4 | 6 | 2.7 | O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2213 | 517 | 46 | None | -660 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 3008 | 517 | 46 | None | -660 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 5311010 | 517 | 46 | None | -660 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| CHEMBL382301 | 517 | 46 | None | -660 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| DB09059 | 517 | 46 | None | -660 | 5 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | None | None | None | None | 10.1038/s41467-023-40064-9 | ||||
| 2713 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5353524 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5360566 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 88536661 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 9552079 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1330113 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL790 | 205248 | 82 | None | - | 0 | Human | 5.4 | pAC50 | = | 5.4 | Binding | ChEMBL | 504 | 9 | 10 | 4 | 4.2 | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 | 10.1038/s41467-023-40064-9 | ||
| 5329102 | 194703 | 86 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| CHEMBL535 | 194703 | 86 | None | - | 0 | Human | 5.3 | pAC50 | = | 5.3 | Binding | ChEMBL | 398 | 7 | 3 | 3 | 3.3 | CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C | 10.1038/s41467-023-40064-9 | ||
| 11980903 | 14460 | 19 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 22526 | 14460 | 19 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 5281035 | 14460 | 19 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1201303 | 14460 | 19 | None | - | 0 | Human | 5.2 | pAC50 | = | 5.2 | Binding | ChEMBL | 382 | 4 | 0 | 2 | 5.3 | Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 3149 | 12582 | 15 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1187011 | 12582 | 15 | None | - | 0 | Human | 5.1 | pAC50 | = | 5.1 | Binding | ChEMBL | 334 | 15 | 0 | 1 | 6.1 | CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1 | 10.1038/s41467-023-40064-9 | ||
| 72093 | 35031 | 9 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL1433361 | 35031 | 9 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| CHEMBL2103773 | 35031 | 9 | None | - | 0 | Human | 5.0 | pAC50 | = | 5 | Binding | ChEMBL | 483 | 16 | 1 | 4 | 6.3 | CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1 | 10.1038/s41467-023-40064-9 | ||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 10.3 | pEC50 | = | 10.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 9.7 | pEC50 | = | 9.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 118719821 | 115719 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 1005 | 19 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353932 | 115719 | 0 | None | - | 0 | Human | 8.7 | pEC50 | = | 8.7 | Binding | ChEMBL | 1005 | 19 | 11 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719829 | 115727 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1035 | 23 | 11 | 14 | -1.1 | CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353940 | 115727 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1035 | 23 | 11 | 14 | -1.1 | CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118719832 | 115730 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1009 | 21 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353943 | 115730 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1009 | 21 | 12 | 15 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720286 | 115834 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354598 | 115834 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44393912 | 64525 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 643 | 6 | 1 | 6 | 5.6 | CO[C@@H]1C[C@@H](C(=S)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL181487 | 64525 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7 | Binding | ChEMBL | 643 | 6 | 1 | 6 | 5.6 | CO[C@@H]1C[C@@H](C(=S)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720277 | 115823 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 988 | 22 | 10 | 12 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354587 | 115823 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6 | Binding | ChEMBL | 988 | 22 | 10 | 12 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118719828 | 115726 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1019 | 19 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353939 | 115726 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8.0 | Binding | ChEMBL | 1019 | 19 | 11 | 14 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720275 | 115821 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354585 | 115821 | 0 | None | - | 0 | Human | 7.0 | pEC50 | = | 7.0 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720266 | 115813 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354577 | 115813 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10282736 | 123789 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 627 | 6 | 1 | 6 | 4.8 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL362382 | 123789 | 0 | None | - | 0 | Human | 6.0 | pEC50 | = | 6.0 | Binding | ChEMBL | 627 | 6 | 1 | 6 | 4.8 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720274 | 115820 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354584 | 115820 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 44394045 | 169479 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 641 | 6 | 1 | 6 | 5.2 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL443300 | 169479 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 641 | 6 | 1 | 6 | 5.2 | CO[C@@H]1C[C@@H](C(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720267 | 115814 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354578 | 115814 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 975 | 21 | 10 | 13 | -3.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44393965 | 126176 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 587 | 5 | 1 | 6 | 3.8 | CO[C@@H]1C[C@@H](C(=O)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL364994 | 126176 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 587 | 5 | 1 | 6 | 3.8 | CO[C@@H]1C[C@@H](C(=O)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720278 | 115824 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354588 | 115824 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720284 | 115831 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354595 | 115831 | 0 | None | - | 0 | Human | 6.9 | pEC50 | = | 6.9 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720262 | 115809 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1048 | 21 | 12 | 15 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCC2CCCN2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354573 | 115809 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1048 | 21 | 12 | 15 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCC2CCCN2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720263 | 115810 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1064 | 21 | 11 | 16 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354574 | 115810 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1064 | 21 | 11 | 16 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCN2CCOCC2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720285 | 115832 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1025 | 20 | 10 | 12 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354596 | 115832 | 0 | None | - | 0 | Human | 5.9 | pEC50 | = | 5.9 | Binding | ChEMBL | 1025 | 20 | 10 | 12 | -1.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720269 | 115816 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354580 | 115816 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44232512 | 115833 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354597 | 115833 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1038 | 21 | 11 | 13 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720283 | 115829 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354593 | 115829 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 1022 | 20 | 10 | 12 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 11169 | 794 | 37 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 131676677 | 794 | 37 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 16681432 | 794 | 37 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 495 | 794 | 37 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| CHEMBL3301668 | 794 | 37 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| DB01282 | 794 | 37 | None | -1 | 2 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | 10.1021/jm500365s | ||||
| 118719840 | 115738 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353951 | 115738 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccnc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720272 | 115818 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354582 | 115818 | 0 | None | - | 0 | Human | 7.8 | pEC50 | = | 7.8 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118719839 | 115737 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353950 | 115737 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccn2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719843 | 115741 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccn2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353954 | 115741 | 0 | None | - | 0 | Human | 6.8 | pEC50 | = | 6.8 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccn2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44393998 | 66245 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 561 | 8 | 2 | 6 | 3.4 | CO[C@@H]1C[C@@H](C(=O)NCCN(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL184696 | 66245 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 561 | 8 | 2 | 6 | 3.4 | CO[C@@H]1C[C@@H](C(=O)NCCN(C)C)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 44394063 | 66331 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 573 | 4 | 1 | 5 | 5.0 | CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL185152 | 66331 | 0 | None | - | 0 | Human | 5.8 | pEC50 | = | 5.8 | Binding | ChEMBL | 573 | 4 | 1 | 5 | 5.0 | CN1CCCN(C(=S)[C@@H]2CCCN2C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| 44393911 | 65196 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 611 | 8 | 2 | 6 | 5.7 | CO[C@@H]1C[C@@H](/C(S)=N/CCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL182627 | 65196 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 611 | 8 | 2 | 6 | 5.7 | CO[C@@H]1C[C@@H](/C(S)=N/CCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720273 | 115819 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354583 | 115819 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 974 | 21 | 10 | 12 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720281 | 115827 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354591 | 115827 | 0 | None | - | 0 | Human | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720276 | 115822 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354586 | 115822 | 0 | None | - | 0 | Human | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | 1004 | 22 | 11 | 13 | -1.8 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CCSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720261 | 115808 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1035 | 20 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CCCO2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354572 | 115808 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1035 | 20 | 11 | 15 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CCCO2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44394044 | 123809 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 4.6 | CO[C@@H]1C[C@@H](C(=S)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL362483 | 123809 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 4.6 | CO[C@@H]1C[C@@H](C(=S)N2CCCN(C)CC2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720288 | 115836 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354600 | 115836 | 0 | None | - | 0 | Human | 6.6 | pEC50 | = | 6.6 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720270 | 115488 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 975 | 21 | 11 | 13 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3352839 | 115488 | 0 | None | - | 0 | Human | 5.6 | pEC50 | = | 5.6 | Binding | ChEMBL | 975 | 21 | 11 | 13 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 449224 | 168951 | 12 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL439044 | 168951 | 12 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Binding | ChEMBL | 991 | 17 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719835 | 115733 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353946 | 115733 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720289 | 115837 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354601 | 115837 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1029 | 20 | 11 | 14 | -1.7 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720287 | 115835 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 1022 | 21 | 10 | 12 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354599 | 115835 | 0 | None | - | 0 | Human | 5.5 | pEC50 | = | 5.5 | Binding | ChEMBL | 1022 | 21 | 10 | 12 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 76073634 | 115830 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354594 | 115830 | 3 | None | - | 1 | Human | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | 1041 | 20 | 11 | 13 | -1.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719833 | 115731 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1041 | 20 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353944 | 115731 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1041 | 20 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719820 | 115718 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1007 | 21 | 11 | 14 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353931 | 115718 | 0 | None | - | 0 | Human | 7.5 | pEC50 | = | 7.5 | Binding | ChEMBL | 1007 | 21 | 11 | 14 | -1.9 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720279 | 115825 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354589 | 115825 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1023 | 20 | 11 | 13 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 2252 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| 6918320 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| CHEMBL24781 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pEC50 | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901084f | ||
| 118719841 | 115739 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccncc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353952 | 115739 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1042 | 20 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccncc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 3537 | 3973 | 22 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 5311500 | 3973 | 22 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 3 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 118719818 | 115716 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 991 | 19 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353929 | 115716 | 0 | None | - | 0 | Human | 8.4 | pEC50 | = | 8.4 | Binding | ChEMBL | 991 | 19 | 11 | 14 | -2.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719824 | 115722 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1017 | 19 | 11 | 14 | -3.1 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| CHEMBL3353935 | 115722 | 0 | None | - | 0 | Human | 7.4 | pEC50 | = | 7.4 | Binding | ChEMBL | 1017 | 19 | 11 | 14 | -3.1 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](O)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| 118719825 | 115723 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1032 | 20 | 10 | 14 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| CHEMBL3353936 | 115723 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 1032 | 20 | 10 | 14 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CCCSC[C@@H](C(=O)N3C[C@@H](OC)C[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm500365s | ||
| 118719826 | 115724 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 947 | 19 | 11 | 13 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353937 | 115724 | 0 | None | - | 0 | Human | 6.4 | pEC50 | = | 6.4 | Binding | ChEMBL | 947 | 19 | 11 | 13 | -3.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719844 | 115742 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccncc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353955 | 115742 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1056 | 21 | 11 | 15 | -2.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccncc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720268 | 115815 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354579 | 115815 | 0 | None | - | 1 | Human | 6.3 | pEC50 | = | 6.3 | Binding | ChEMBL | 991 | 21 | 12 | 14 | -3.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCCO)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720265 | 115812 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354576 | 115812 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720282 | 115828 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354592 | 115828 | 0 | None | - | 0 | Human | 7.3 | pEC50 | = | 7.3 | Binding | ChEMBL | 1038 | 20 | 11 | 13 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719830 | 115728 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1033 | 19 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353941 | 115728 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1033 | 19 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C2CCCCC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719845 | 115743 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1047 | 20 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353956 | 115743 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1047 | 20 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44393941 | 170824 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 595 | 8 | 2 | 6 | 4.4 | CO[C@@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL445393 | 170824 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 595 | 8 | 2 | 6 | 4.4 | CO[C@@H]1C[C@@H](C(=O)NCCc2ccccn2)N(C(=O)NCc2ccc(C(=O)N3CCCCc4sccc43)cc2Cl)C1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720259 | 115806 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1031 | 20 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354570 | 115806 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1031 | 20 | 11 | 15 | -1.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccco2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719842 | 115740 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1055 | 21 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353953 | 115740 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1055 | 21 | 11 | 14 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2ccccc2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719823 | 115721 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353934 | 115721 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1033 | 19 | 10 | 14 | -2.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](SC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719834 | 115732 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353945 | 115732 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719822 | 115720 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1017 | 19 | 10 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353933 | 115720 | 0 | None | - | 0 | Human | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | 1017 | 19 | 10 | 14 | -2.9 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCCSC[C@@H](C(=O)N2C[C@H](OC)C[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm500365s | ||||
| 10411308 | 201211 | 0 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL603708 | 201211 | 0 | None | 2 | 3 | Human | 8.1 | pEC50 | = | 8.1 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 118720264 | 115811 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354575 | 115811 | 0 | None | - | 0 | Human | 7.2 | pEC50 | = | 7.2 | Binding | ChEMBL | 991 | 21 | 11 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720280 | 115826 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1007 | 20 | 10 | 12 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354590 | 115826 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1007 | 20 | 10 | 12 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118720271 | 115817 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3354581 | 115817 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 990 | 21 | 11 | 13 | -2.2 | CCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118720290 | 115838 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1013 | 20 | 10 | 13 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354602 | 115838 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 1013 | 20 | 10 | 13 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccs2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719827 | 115725 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1021 | 22 | 11 | 14 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| CHEMBL3353938 | 115725 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1021 | 22 | 11 | 14 | -1.5 | CCCCCN(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm500365s | ||
| 118719838 | 115736 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1071 | 21 | 11 | 15 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(OC)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353949 | 115736 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1071 | 21 | 11 | 15 | -1.5 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(OC)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719831 | 115729 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1009 | 21 | 11 | 15 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353942 | 115729 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1009 | 21 | 11 | 15 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCOC)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719837 | 115735 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1059 | 20 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353948 | 115735 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1059 | 20 | 11 | 14 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 118719836 | 115734 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(C)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353947 | 115734 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1055 | 20 | 11 | 14 | -1.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(C)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 135413563 | 122904 | 25 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL360648 | 122904 | 25 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 135413563 | 122904 | 25 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL360648 | 122904 | 25 | None | - | 2 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 600 | 4 | 2 | 7 | 4.3 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118720260 | 115807 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1061 | 21 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2cccs2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3354571 | 115807 | 0 | None | - | 0 | Human | 7.1 | pEC50 | = | 7.1 | Binding | ChEMBL | 1061 | 21 | 11 | 15 | -1.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CCc2cccs2)CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 10187625 | 127264 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 553 | 4 | 1 | 5 | 4.7 | Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| CHEMBL365862 | 127264 | 0 | None | - | 0 | Human | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | 553 | 4 | 1 | 5 | 4.7 | Cc1cc(C(=O)N2CCCCc3sccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1016/j.bmcl.2004.04.107 | ||
| 118719819 | 115717 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 1005 | 20 | 11 | 14 | -2.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| CHEMBL3353930 | 115717 | 0 | None | - | 0 | Human | 8.0 | pEC50 | = | 8 | Binding | ChEMBL | 1005 | 20 | 11 | 14 | -2.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2CC2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm500365s | ||
| 44332239 | 4501 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 466 | 4 | 1 | 3 | 6.3 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL102311 | 4501 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 466 | 4 | 1 | 3 | 6.3 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00279-6 | ||
| 10648029 | 105393 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C | 10.1021/jm980179c | ||
| CHEMBL311931 | 105393 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1C | 10.1021/jm980179c | ||
| 10743786 | 163455 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 3 | 1 | 3 | 6.4 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL420031 | 163455 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 493 | 3 | 1 | 3 | 6.4 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| 15308000 | 187320 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL49322 | 187320 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| 9826033 | 57432 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165670 | 57432 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 56848490 | 146727 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 2.9 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3924331 | 146727 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 575 | 10 | 3 | 8 | 2.9 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 44213443 | 176994 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL46295 | 176994 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 10742418 | 104459 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| CHEMBL310416 | 104459 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2005.08.007 | ||
| 11490613 | 161714 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 636 | 9 | 1 | 6 | 6.6 | CN1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL413748 | 161714 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 636 | 9 | 1 | 6 | 6.6 | CN1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 11490514 | 130663 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 622 | 10 | 1 | 6 | 7.1 | CN1CCN(CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL368354 | 130663 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 622 | 10 | 1 | 6 | 7.1 | CN1CCN(CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 44213442 | 102003 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL301788 | 102003 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 21467141 | 119641 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL347020 | 119641 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.08.053 | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00095-0 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00095-0 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00095-0 | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(99)00278-4 | ||
| 44378719 | 57388 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 629 | 6 | 1 | 5 | 7.0 | CN1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL165340 | 57388 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 629 | 6 | 1 | 5 | 7.0 | CN1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| 89701036 | 151779 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 496 | 7 | 2 | 7 | 3.2 | O=c1n(Cc2nnc(Cc3ccccc3F)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3965167 | 151779 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 496 | 7 | 2 | 7 | 3.2 | O=c1n(Cc2nnc(Cc3ccccc3F)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10459252 | 52621 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159359 | 52621 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 69940391 | 148525 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 512 | 7 | 2 | 7 | 3.7 | O=c1n(Cc2nnc(Cc3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3938717 | 148525 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 512 | 7 | 2 | 7 | 3.7 | O=c1n(Cc2nnc(Cc3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10003306 | 203750 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL68085 | 203750 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 10003306 | 203750 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL68085 | 203750 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 18917497 | 101693 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 486 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Br | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL299532 | 101693 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 486 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Br | 10.1016/s0960-894x(99)00279-6 | ||
| 10098338 | 120077 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 524 | 4 | 2 | 4 | 6.9 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350973 | 120077 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 524 | 4 | 2 | 4 | 6.9 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44213444 | 101887 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 442 | 3 | 1 | 4 | 5.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL300963 | 101887 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 442 | 3 | 1 | 4 | 5.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 10672170 | 205373 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| CHEMBL80029 | 205373 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| 10696913 | 205546 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 505 | 4 | 1 | 4 | 6.3 | COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL81269 | 205546 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 505 | 4 | 1 | 4 | 6.3 | COc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 44336418 | 108160 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL319636 | 108160 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 569 | 6 | 2 | 5 | 5.0 | COC(=O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3C)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848557 | 146648 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 607 | 9 | 3 | 7 | 3.5 | CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3923775 | 146648 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 607 | 9 | 3 | 7 | 3.5 | CC(=O)NC(C)(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 44335345 | 5139 | 0 | None | 4 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL105961 | 5139 | 0 | None | 4 | 2 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 11386922 | 60410 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 1 | 5 | 6.7 | COc1cc(C(=O)N2CCCC(N(C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL175212 | 60410 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 525 | 6 | 1 | 5 | 6.7 | COc1cc(C(=O)N2CCCC(N(C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 11272841 | 60770 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCCC3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL176146 | 60770 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCCC3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 10840974 | 61749 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 7 | 1 | 6 | 5.8 | CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 | 10.1021/jm030287l | ||
| CHEMBL177285 | 61749 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 579 | 7 | 1 | 6 | 5.8 | CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 | 10.1021/jm030287l | ||
| 11763684 | 131331 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 650 | 9 | 1 | 6 | 7.0 | CN1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL368818 | 131331 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 650 | 9 | 1 | 6 | 7.0 | CN1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 11798757 | 204265 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1021/jm980179c | ||
| CHEMBL71305 | 204265 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1021/jm980179c | ||
| 44352767 | 115095 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 7.8 | O=C(Nc1ccc(C(=O)N2CCC(CC(F)F)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL334363 | 115095 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 528 | 6 | 1 | 3 | 7.8 | O=C(Nc1ccc(C(=O)N2CCC(CC(F)F)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 69940642 | 151755 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 6 | 1 | 7 | 4.4 | O=c1n(Cc2ccnc(-c3ccccc3Cl)n2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3964983 | 151755 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 509 | 6 | 1 | 7 | 4.4 | O=c1n(Cc2ccnc(-c3ccccc3Cl)n2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10603742 | 128646 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 607 | 6 | 1 | 6 | 5.7 | CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 | 10.1021/jm030287l | ||
| CHEMBL366816 | 128646 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 607 | 6 | 1 | 6 | 5.7 | CN1CCCN(CC(=O)N2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 | 10.1021/jm030287l | ||
| 44386548 | 132329 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 433 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3sccc32)cc1 | 10.1021/jm00137a004 | ||
| CHEMBL369712 | 132329 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 433 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3sccc32)cc1 | 10.1021/jm00137a004 | ||
| 10527137 | 12755 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 441 | 4 | 0 | 3 | 5.3 | Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL118805 | 12755 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 441 | 4 | 0 | 3 | 5.3 | Cc1ccccc1C(=O)N(C)c1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10499401 | 14000 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 370 | 4 | 1 | 2 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119730 | 14000 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 370 | 4 | 1 | 2 | 4.5 | O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44433372 | 89897 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 426 | 5 | 3 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237987 | 89897 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 426 | 5 | 3 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 44433375 | 90158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL238206 | 90158 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)Nc2ccccc2Cn2cccc2C(=O)O)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 10710850 | 119221 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 320 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(N2CCCC2)cc1)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL343538 | 119221 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 320 | 2 | 0 | 2 | 4.3 | O=C(c1ccc(N2CCCC2)cc1)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 11756081 | 18867 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 510 | 6 | 1 | 5 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1ccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128398 | 18867 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 510 | 6 | 1 | 5 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1ccnc1)C2 | 10.1021/jm00077a002 | ||
| 10098227 | 18925 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128680 | 18925 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 9983763 | 19352 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 508 | 7 | 1 | 4 | 3.8 | CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL129234 | 19352 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 508 | 7 | 1 | 4 | 3.8 | CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10436744 | 21137 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131269 | 21137 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 10256140 | 21486 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131613 | 21486 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 44352440 | 116745 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337667 | 116745 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 44352497 | 117031 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.1 | CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL339151 | 117031 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 472 | 5 | 2 | 4 | 3.1 | CC(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10324129 | 168528 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 512 | 6 | 1 | 7 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1cnnn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435613 | 168528 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 512 | 6 | 1 | 7 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cn1cnnn1)C2 | 10.1021/jm00077a002 | ||
| 10432863 | 98288 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](O)(CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL274955 | 98288 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 430 | 4 | 2 | 4 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@](O)(CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2332718 | 209512 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | NC[C@@H]1NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O | 10.1016/j.bmcl.2012.12.041 | ||||
| 10461417 | 107274 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL317243 | 107274 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 44336636 | 164141 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL421039 | 164141 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 585 | 7 | 3 | 4 | 6.0 | O=C(NCCO)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 67409933 | 150041 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 5.5 | COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 | nan | ||
| CHEMBL3950716 | 150041 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 554 | 8 | 1 | 7 | 5.5 | COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)cc1 | nan | ||
| 56848553 | 145592 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 5.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| CHEMBL3915616 | 145592 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 5.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| 9869993 | 165528 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 485 | 4 | 2 | 2 | 7.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4c[nH]c5cccc3c45)cc2)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL424183 | 165528 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 485 | 4 | 2 | 2 | 7.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4c[nH]c5cccc3c45)cc2)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 44433363 | 146627 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL392363 | 146627 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C=C3CCC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 9961036 | 11694 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 643 | 5 | 1 | 5 | 6.7 | CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL1181319 | 11694 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 643 | 5 | 1 | 5 | 6.7 | CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL164387 | 11694 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 643 | 5 | 1 | 5 | 6.7 | CN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| 53378729 | 142430 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 473 | 7 | 0 | 6 | 5.2 | C=CCn1c(-c2ccc(Cl)cc2)nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c1=O | nan | ||
| CHEMBL3890193 | 142430 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 473 | 7 | 0 | 6 | 5.2 | C=CCn1c(-c2ccc(Cl)cc2)nn(Cc2cncn2Cc2c(Cl)cccc2Cl)c1=O | nan | ||
| 10620180 | 113477 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332060 | 113477 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 23598597 | 94068 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 528 | 5 | 2 | 4 | 5.8 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(C=C(C(=O)O)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249133 | 94068 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 528 | 5 | 2 | 4 | 5.8 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1CCC2(C=C(C(=O)O)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL338018 | 211579 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 69940703 | 146174 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 5.8 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| CHEMBL3920097 | 146174 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 490 | 6 | 0 | 6 | 5.8 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)s2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| CHEMBL2112248 | 209212 | 0 | None | - | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 44273368 | 98766 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 3.2 | CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL278377 | 98766 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 584 | 9 | 1 | 6 | 3.2 | CN(C)CCCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10031372 | 18844 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 592 | 7 | 2 | 6 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(N)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128258 | 18844 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 592 | 7 | 2 | 6 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(N)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352433 | 117249 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 622 | 10 | 3 | 7 | 1.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)CN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339498 | 117249 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 622 | 10 | 3 | 7 | 1.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)CN)C2 | 10.1021/jm00077a002 | ||
| 9881053 | 120219 | 0 | None | - | 1 | Pig | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| CHEMBL35226 | 120219 | 0 | None | - | 1 | Pig | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 339 | 5 | 1 | 4 | 4.1 | CCCN1CCC(COc2nc3ccccc3c3c2CCCN3)CC1 | 10.1021/jm020954v | ||
| CHEMBL129733 | 208659 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| CHEMBL338020 | 211580 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10030575 | 22087 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132210 | 22087 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 44273077 | 99156 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL281361 | 99156 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 3793 | 203186 | 77 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 45039617 | 203186 | 77 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| CHEMBL64391 | 203186 | 77 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 44352777 | 21350 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 572 | 7 | 2 | 5 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC(CCS(=O)(=O)O)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL131439 | 21350 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 572 | 7 | 2 | 5 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC(CCS(=O)(=O)O)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 53378841 | 145872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2cncc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL3917760 | 145872 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2cncc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| 53378731 | 153704 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 556 | 8 | 2 | 9 | 3.3 | O=C(O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| CHEMBL3981686 | 153704 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 556 | 8 | 2 | 9 | 3.3 | O=C(O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| 119369 | 2588 | 74 | None | -1 | 8 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| 2197 | 2588 | 74 | None | -1 | 8 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| 4004 | 2588 | 74 | None | -1 | 8 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| CHEMBL420762 | 2588 | 74 | None | -1 | 8 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm960133o | ||
| 44377961 | 57484 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 585 | 5 | 3 | 4 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCc3c(S(=O)(=O)O)[nH]c4cccc2c34)cc1Cl)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL166135 | 57484 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 585 | 5 | 3 | 4 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCc3c(S(=O)(=O)O)[nH]c4cccc2c34)cc1Cl)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 19699093 | 120012 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350383 | 120012 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 10595255 | 26508 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 5.3 | O=C(c1ccc(N2CCCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL136065 | 26508 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 5.3 | O=C(c1ccc(N2CCCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 56848685 | 151771 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 603 | 10 | 2 | 9 | 4.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O | nan | ||
| CHEMBL3965109 | 151771 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 603 | 10 | 2 | 9 | 4.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NC(=O)OC(C)(C)C)c2ccccc2C(F)(F)F)c1=O | nan | ||
| 10810069 | 11691 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1C | 10.1021/jm960133o | ||
| CHEMBL118128 | 11691 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1C | 10.1021/jm960133o | ||
| CHEMBL2370623 | 209868 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 10391259 | 18864 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 3.3 | CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL128388 | 18864 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 499 | 5 | 1 | 4 | 3.3 | CNC1CCN([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 10052640 | 21095 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 527 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131239 | 21095 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 527 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| 10483039 | 78468 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2111851 | 78468 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 44433360 | 89420 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 418 | 2 | 0 | 4 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3C=C4CCC(=O)N4Cc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237120 | 89420 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 418 | 2 | 0 | 4 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3C=C4CCC(=O)N4Cc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2007.08.053 | ||
| 3793 | 203186 | 77 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 45039617 | 203186 | 77 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| CHEMBL64391 | 203186 | 77 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 88064173 | 151602 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.4 | O=c1n(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F | nan | ||
| CHEMBL3963751 | 151602 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 530 | 7 | 1 | 6 | 5.4 | O=c1n(Cc2nnc(Cc3c(Cl)cccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1CCC(F)(F)F | nan | ||
| 56848556 | 147012 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 579 | 10 | 3 | 7 | 2.9 | O=CNC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3926829 | 147012 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 579 | 10 | 3 | 7 | 2.9 | O=CNC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 10838493 | 13882 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL119638 | 13882 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10742994 | 110352 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 4.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC(N)=O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL324251 | 110352 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 470 | 6 | 2 | 4 | 4.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC(N)=O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 9850567 | 57420 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 551 | 5 | 3 | 4 | 5.9 | O=C(Nc1ccc(C(=O)N2CCCc3c(S(=O)(=O)O)[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165554 | 57420 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 551 | 5 | 3 | 4 | 5.9 | O=C(Nc1ccc(C(=O)N2CCCc3c(S(=O)(=O)O)[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 21837162 | 102506 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL304060 | 102506 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.7 | CSc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10503021 | 102709 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL304956 | 102709 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1016/s0960-894x(03)00388-3 | ||
| 10570880 | 26559 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 365 | 2 | 0 | 3 | 4.8 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/jm000108p | ||
| CHEMBL136109 | 26559 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 365 | 2 | 0 | 3 | 4.8 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/jm000108p | ||
| 10498917 | 115984 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 362 | 2 | 0 | 2 | 5.0 | CN(C)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL335592 | 115984 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 362 | 2 | 0 | 2 | 5.0 | CN(C)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 44335343 | 107443 | 0 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL318392 | 107443 | 0 | None | 1 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 14981580 | 78842 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 1.9 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112895 | 78842 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 1.9 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCNCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 19699093 | 120012 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350383 | 120012 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL2112247 | 209211 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cn(C)c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 9805972 | 98587 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL276990 | 98587 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44273346 | 162923 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 2.8 | CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL417458 | 162923 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 570 | 8 | 1 | 6 | 2.8 | CN(C)CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44352492 | 18938 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 3.0 | CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL128749 | 18938 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 593 | 9 | 1 | 6 | 3.0 | CN(C)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44352150 | 18833 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 515 | 7 | 2 | 5 | 2.8 | CC(C(N)=O)[C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL128194 | 18833 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 515 | 7 | 2 | 5 | 2.8 | CC(C(N)=O)[C@@H](N)C(=O)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10413998 | 19016 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128879 | 19016 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44352299 | 116777 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)/C(=N\O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337842 | 116777 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 416 | 3 | 1 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)/C(=N\O)C2 | 10.1021/jm00077a002 | ||
| 10347314 | 116901 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 542 | 8 | 2 | 4 | 4.9 | CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338499 | 116901 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 542 | 8 | 2 | 4 | 4.9 | CCC(C)(C)C(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10459672 | 117465 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 530 | 8 | 1 | 5 | 4.0 | CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL340016 | 117465 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 530 | 8 | 1 | 5 | 4.0 | CCOC(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10574499 | 112961 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| CHEMBL331098 | 112961 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| 10524974 | 114033 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332685 | 114033 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10984131 | 120017 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 517 | 4 | 2 | 4 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL350408 | 120017 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 517 | 4 | 2 | 4 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00095-0 | ||
| 10789117 | 204589 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL73286 | 204589 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 23598595 | 154779 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400266 | 154779 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 542 | 5 | 2 | 3 | 7.0 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 21837107 | 203877 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL68948 | 203877 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 10789117 | 204589 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL73286 | 204589 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 44378886 | 56649 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 6 | 2 | 5 | 6.4 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1O)C2 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL164226 | 56649 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 556 | 6 | 2 | 5 | 6.4 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1O)C2 | 10.1016/s0960-894x(00)00095-0 | ||
| 10601045 | 13929 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 487 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCC(N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| CHEMBL119671 | 13929 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 487 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCC(N3CCCCC3)c3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| 19699060 | 56117 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 3 | 2 | 4 | 5.4 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL162588 | 56117 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 3 | 2 | 4 | 5.4 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 10690528 | 113484 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL332090 | 113484 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL338294 | 211583 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10347928 | 118440 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341289 | 118440 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352165 | 118528 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 552 | 7 | 3 | 6 | 1.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341507 | 118528 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 552 | 7 | 3 | 6 | 1.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10324995 | 164309 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL421248 | 164309 | 0 | None | - | 0 | Rat | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 539 | 7 | 3 | 4 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NCCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44352804 | 18927 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL128688 | 18927 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 56848624 | 160743 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 566 | 9 | 3 | 7 | 3.0 | O=C(Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)N[C@@H](CO)Cc1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL4114132 | 160743 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 566 | 9 | 3 | 7 | 3.0 | O=C(Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)N[C@@H](CO)Cc1cccc(C(F)(F)F)c1 | nan | ||
| 44377903 | 57271 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1Cl)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165076 | 57271 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1Cl)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 44310163 | 102196 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL302955 | 102196 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 11757222 | 107975 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL319418 | 107975 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 10043741 | 118155 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm020133q | ||
| CHEMBL340893 | 118155 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm020133q | ||
| 10043741 | 118155 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL340893 | 118155 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 86690916 | 150901 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 549 | 6 | 1 | 8 | 4.9 | O=c1n(Cc2nnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3957738 | 150901 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 549 | 6 | 1 | 8 | 4.9 | O=c1n(Cc2nnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10527129 | 13817 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 441 | 4 | 2 | 3 | 4.9 | CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL119591 | 13817 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 441 | 4 | 2 | 3 | 4.9 | CC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 19699133 | 119905 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL349506 | 119905 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL340204 | 211609 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44272990 | 99578 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283994 | 99578 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44352481 | 116995 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 11 | 1 | 6 | 3.8 | CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338951 | 116995 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 621 | 11 | 1 | 6 | 3.8 | CCN(CC)C(CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10347928 | 118440 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341289 | 118440 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 22405325 | 133535 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 427 | 4 | 0 | 4 | 5.5 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL371055 | 133535 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 427 | 4 | 0 | 4 | 5.5 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccs3)cc1)C2 | 10.1016/j.bmcl.2005.08.007 | ||
| 10098755 | 21454 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 538 | 7 | 2 | 4 | 4.5 | CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 | 10.1021/jm00077a002 | ||
| CHEMBL131581 | 21454 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 538 | 7 | 2 | 4 | 4.5 | CCC(C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C)c1c[nH]cn1 | 10.1021/jm00077a002 | ||
| 9985844 | 116622 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 588 | 6 | 2 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1[nH]cnc1Br)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336992 | 116622 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 588 | 6 | 2 | 4 | 4.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1[nH]cnc1Br)C2 | 10.1021/jm00077a002 | ||
| 2812 | 4747 | 101 | None | - | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| CHEMBL104 | 4747 | 101 | None | - | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| 5280343 | 188251 | 124 | None | -147 | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL1520590 | 188251 | 124 | None | -147 | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL50 | 188251 | 124 | None | -147 | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| 5280343 | 188251 | 124 | None | -147 | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL1520590 | 188251 | 124 | None | -147 | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL50 | 188251 | 124 | None | -147 | 32 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| 2812 | 4747 | 101 | None | - | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| CHEMBL104 | 4747 | 101 | None | - | 34 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| 44332208 | 4214 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL100447 | 4214 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1c(Cl)cccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| 44352768 | 115230 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL334777 | 115230 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 536 | 7 | 2 | 4 | 7.0 | O=C(O)CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44336784 | 109181 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL321656 | 109181 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 626 | 9 | 2 | 4 | 7.0 | CN(C)CCCNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56849411 | 153154 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3976964 | 153154 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 10528416 | 104702 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 4 | 1 | 4 | 5.6 | COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL310581 | 104702 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 471 | 4 | 1 | 4 | 5.6 | COc1cc(Cl)ccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 10691737 | 27156 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 388 | 2 | 0 | 2 | 5.6 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2cc(Cl)ccc21 | 10.1021/jm000108p | ||
| CHEMBL136628 | 27156 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 388 | 2 | 0 | 2 | 5.6 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2cc(Cl)ccc21 | 10.1021/jm000108p | ||
| 18917508 | 188059 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 453 | 4 | 1 | 6 | 4.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1[N+](=O)[O-] | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49796 | 188059 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 453 | 4 | 1 | 6 | 4.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1[N+](=O)[O-] | 10.1016/s0960-894x(99)00279-6 | ||
| 14981581 | 78840 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 686 | 11 | 2 | 9 | 1.7 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCS(=O)(=O)CC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112893 | 78840 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 686 | 11 | 2 | 9 | 1.7 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCS(=O)(=O)CC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10763869 | 11843 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 4 | 1 | 3 | 4.5 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118244 | 11843 | 1 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 406 | 4 | 1 | 3 | 4.5 | O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL338308 | 211585 | 0 | None | - | 2 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 44352141 | 21418 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 501 | 7 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](C(=O)[C@H](N)CC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131538 | 21418 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 501 | 7 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](C(=O)[C@H](N)CC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 10323684 | 117019 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339096 | 117019 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44273080 | 98591 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 571 | 7 | 1 | 7 | 2.4 | COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL277022 | 98591 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 571 | 7 | 1 | 7 | 2.4 | COC(=O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10834761 | 114512 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL333652 | 114512 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 23505561 | 119965 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 527 | 4 | 1 | 4 | 7.1 | CC(=O)n1cc2c3c(cccc31)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc1)CCC2 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL349965 | 119965 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 527 | 4 | 1 | 4 | 7.1 | CC(=O)n1cc2c3c(cccc31)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc1)CCC2 | 10.1016/s0960-894x(02)01059-4 | ||
| 67412584 | 150753 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 6 | 1 | 5 | 5.1 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)[nH]2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| CHEMBL3956553 | 150753 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 473 | 6 | 1 | 5 | 5.1 | O=c1n(Cc2ncc(Cc3cccc(C(F)(F)F)c3)[nH]2)nc(-c2ccc(Cl)cc2)n1C1CC1 | nan | ||
| 10832492 | 114773 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 3 | 1 | 3 | 4.6 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 | 10.1021/jm960133o | ||
| CHEMBL334009 | 114773 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 3 | 1 | 3 | 4.6 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 | 10.1021/jm960133o | ||
| 44309805 | 204259 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 3 | 1 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71283 | 204259 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 434 | 3 | 1 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Oc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL405289 | 212531 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10100280 | 96789 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 610 | 9 | 0 | 7 | 3.9 | COC(=O)CCN(C(=O)Cc1cn(C)cn1)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL265073 | 96789 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 610 | 9 | 0 | 7 | 3.9 | COC(=O)CCN(C(=O)Cc1cn(C)cn1)[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10346739 | 117001 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 5 | 0 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC#N)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338984 | 117001 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 524 | 5 | 0 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC#N)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10368075 | 168427 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 484 | 4 | 0 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CCC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435019 | 168427 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 484 | 4 | 0 | 4 | 3.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CCC1=O)C2 | 10.1021/jm00077a002 | ||
| 10436379 | 74150 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20230 | 74150 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1c[nH]cn1)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10413997 | 2212 | 5 | None | - | 2 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 2246 | 2212 | 5 | None | - | 2 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338522 | 2212 | 5 | None | - | 2 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 510 | 6 | 2 | 4 | 3.6 | O=C(Cc1cnc[nH]1)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCC2(CC1)CCc1c2cccc1)(C)C | 10.1021/jm00077a002 | ||
| 44336768 | 163328 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL419183 | 163328 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 599 | 7 | 3 | 4 | 6.1 | O=C(O)CNC(=O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 11740743 | 14076 | 0 | None | - | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119793 | 14076 | 0 | None | - | 3 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10495509 | 115101 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 314 | 1 | 1 | 2 | 4.2 | Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc21 | 10.1021/acs.jmedchem.5b00982 | ||
| CHEMBL334376 | 115101 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 314 | 1 | 1 | 2 | 4.2 | Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc21 | 10.1021/acs.jmedchem.5b00982 | ||
| 23598641 | 94248 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL250346 | 94248 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 528 | 5 | 2 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=C(CO)CC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2007.09.059 | ||
| 9974701 | 26631 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 5.1 | CCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL136177 | 26631 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 342 | 4 | 1 | 2 | 5.1 | CCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 10711405 | 119273 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.4 | CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL343935 | 119273 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.4 | CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 10810133 | 113776 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 385 | 3 | 2 | 2 | 5.3 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332450 | 113776 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 385 | 3 | 2 | 2 | 5.3 | O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44377894 | 119865 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 3 | 2 | 2 | 5.5 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL349062 | 119865 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 427 | 3 | 2 | 2 | 5.5 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 44332209 | 4290 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 470 | 3 | 1 | 2 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL100893 | 4290 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 470 | 3 | 1 | 2 | 6.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| 10587836 | 119399 | 7 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 266 | 1 | 1 | 2 | 3.3 | Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm000108p | ||
| CHEMBL344848 | 119399 | 7 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 266 | 1 | 1 | 2 | 3.3 | Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm000108p | ||
| 10524202 | 13730 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL119534 | 13730 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| 10258045 | 18837 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 1.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128219 | 18837 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 601 | 11 | 4 | 6 | 1.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| 44352393 | 116839 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 555 | 6 | 3 | 4 | 4.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)NC1CCCCC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338177 | 116839 | 0 | None | - | 0 | Rat | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 555 | 6 | 3 | 4 | 4.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)NC1CCCCC1)C2 | 10.1021/jm00077a002 | ||
| 9931699 | 75022 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.0 | Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL203513 | 75022 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.0 | Cn1ccc(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 21467152 | 53127 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 478 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159831 | 53127 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 478 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 15307999 | 101379 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 3 | 1 | 3 | 7.1 | O=C(Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL297293 | 101379 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 492 | 3 | 1 | 3 | 7.1 | O=C(Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(99)00278-4 | ||
| 11792631 | 115202 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 356 | 4 | 0 | 2 | 5.2 | CCN(CC)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL334688 | 115202 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 356 | 4 | 0 | 2 | 5.2 | CCN(CC)c1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 44335357 | 107463 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 517 | 3 | 1 | 3 | 6.4 | Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL318530 | 107463 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 517 | 3 | 1 | 3 | 6.4 | Cc1cc(F)cc(C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/s0960-894x(02)00649-2 | ||
| 10550481 | 12843 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 4 | 2 | 4 | 4.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118878 | 12843 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 428 | 4 | 2 | 4 | 4.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3N)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 44377837 | 57504 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 427 | 3 | 2 | 2 | 5.5 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL166265 | 57504 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 427 | 3 | 2 | 2 | 5.5 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 10668163 | 13759 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 | 10.1021/jm960133o | ||
| CHEMBL119551 | 13759 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1 | 10.1021/jm960133o | ||
| 10054982 | 116919 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 645 | 10 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCc1c[nH]cn1)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338576 | 116919 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 645 | 10 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCc1c[nH]cn1)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10054203 | 118019 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 593 | 8 | 0 | 6 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CCCn3ccnc3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340388 | 118019 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 593 | 8 | 0 | 6 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CCCn3ccnc3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112654 | 209220 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 69940428 | 149847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 8 | 2 | 7 | 5.2 | O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)c1 | nan | ||
| CHEMBL3949118 | 149847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 568 | 8 | 2 | 7 | 5.2 | O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nnc(Cc4c(Cl)cccc4Cl)[nH]3)c2=O)c1 | nan | ||
| 56848625 | 145168 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.5 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| CHEMBL3912406 | 145168 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.5 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(Cl)c1Cl | nan | ||
| 56848623 | 151657 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 561 | 9 | 3 | 8 | 2.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3964135 | 151657 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 561 | 9 | 3 | 8 | 2.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 10673295 | 104869 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL311230 | 104869 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 10766720 | 105423 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 4 | 1 | 4 | 5.4 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 | 10.1021/jm980179c | ||
| CHEMBL312036 | 105423 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 4 | 1 | 4 | 5.4 | COc1cc(NC(=O)c2cc(F)ccc2C)ccc1C(=O)N1Cc2cccn2Cc2ccccc21 | 10.1021/jm980179c | ||
| 44378702 | 120065 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 657 | 7 | 1 | 5 | 7.8 | CN(C)C1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL350869 | 120065 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 657 | 7 | 1 | 5 | 7.8 | CN(C)C1CCN(Cc2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| 9939024 | 132550 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 622 | 9 | 1 | 6 | 7.1 | CN1CCCN(CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL369832 | 132550 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 622 | 9 | 1 | 6 | 7.1 | CN1CCCN(CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 10503858 | 205534 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 453 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 | 10.1021/jm980179c | ||
| CHEMBL81133 | 205534 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 453 | 3 | 1 | 3 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(C)c1 | 10.1021/jm980179c | ||
| 44378703 | 57378 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 697 | 7 | 1 | 5 | 8.7 | O=C(Nc1ccc(C(=O)N2Cc3ccc(CN4CCC(N5CCCCC5)CC4)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL165200 | 57378 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 697 | 7 | 1 | 5 | 8.7 | O=C(Nc1ccc(C(=O)N2Cc3ccc(CN4CCC(N5CCCCC5)CC4)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00095-0 | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(00)00084-6 | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1021/jm980179c | ||
| 172997 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| 2238 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL49429 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| DB06666 | 2318 | 57 | None | - | 2 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(03)00388-3 | ||
| 9935001 | 53120 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159823 | 53120 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 483 | 4 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 9874047 | 119883 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 631 | 9 | 1 | 5 | 7.3 | CN(C)CCN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL349237 | 119883 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 631 | 9 | 1 | 5 | 7.3 | CN(C)CCN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 | 10.1016/s0960-894x(00)00095-0 | ||
| 10459252 | 52621 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159359 | 52621 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 517 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44352776 | 21563 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 560 | 7 | 1 | 7 | 6.2 | O=C(Nc1ccc(C(=O)N2CCC(CCn3cnnn3)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL131727 | 21563 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 560 | 7 | 1 | 7 | 6.2 | O=C(Nc1ccc(C(=O)N2CCC(CCn3cnnn3)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44336404 | 110932 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL326225 | 110932 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 568 | 7 | 2 | 4 | 5.4 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 10838492 | 13432 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL119318 | 13432 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 481 | 4 | 1 | 3 | 6.3 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 9826033 | 57432 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165670 | 57432 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 471 | 4 | 2 | 2 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 11239468 | 130662 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 704 | 10 | 1 | 6 | 8.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1OCCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL368353 | 130662 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 704 | 10 | 1 | 6 | 8.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1OCCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 11167861 | 131323 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 6.7 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| CHEMBL368791 | 131323 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 6.7 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| 10578000 | 168478 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 6.1 | CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm030287l | ||
| CHEMBL435331 | 168478 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 6.1 | CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm030287l | ||
| 11386922 | 60410 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 525 | 6 | 1 | 5 | 6.7 | COc1cc(C(=O)N2CCCC(N(C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL175212 | 60410 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 525 | 6 | 1 | 5 | 6.7 | COc1cc(C(=O)N2CCCC(N(C)C)c3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 9939929 | 167567 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 664 | 10 | 1 | 6 | 7.4 | CN(C)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL430083 | 167567 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 664 | 10 | 1 | 6 | 7.4 | CN(C)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 10548464 | 15350 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 | 10.1021/jm960133o | ||
| CHEMBL121455 | 15350 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc(Cl)c1 | 10.1021/jm960133o | ||
| 10666852 | 113037 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL331164 | 113037 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 11270497 | 60409 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 4 | 2 | 2 | 5.9 | O=C(Nc1ccc(C(=O)N2CCCCc3[nH]ccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| CHEMBL175211 | 60409 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 435 | 4 | 2 | 2 | 5.9 | O=C(Nc1ccc(C(=O)N2CCCCc3[nH]ccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| 11418441 | 169272 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1Cl | 10.1021/jm00137a004 | ||
| CHEMBL441498 | 169272 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 410 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1Cl | 10.1021/jm00137a004 | ||
| 11272841 | 60770 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCCC3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL176146 | 60770 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 550 | 7 | 1 | 5 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCCC3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL2332717 | 209511 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/j.bmcl.2012.12.041 | ||||
| 10156521 | 72446 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL198931 | 72446 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 10347928 | 118440 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341289 | 118440 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 565 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10052468 | 21090 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)/C=C/c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131235 | 21090 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)/C=C/c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 18917500 | 187421 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 3 | 2 | 5 | 3.9 | Nc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49392 | 187421 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 3 | 2 | 5 | 3.9 | Nc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 10667727 | 11001 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1 | 10.1021/jm960133o | ||
| CHEMBL117566 | 11001 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.1 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c(C)c1 | 10.1021/jm960133o | ||
| 9935694 | 57356 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 499 | 4 | 1 | 3 | 7.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4cn(C)c5cccc3c45)cc2)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL165183 | 57356 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 499 | 4 | 1 | 3 | 7.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCc4cn(C)c5cccc3c45)cc2)cc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 10784361 | 115400 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1)N1CCCCc2cc(Cl)ccc21 | 10.1021/jm000108p | ||
| CHEMBL335040 | 115400 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1)N1CCCCc2cc(Cl)ccc21 | 10.1021/jm000108p | ||
| 10834036 | 13603 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119442 | 13603 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10458629 | 18931 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 499 | 4 | 1 | 4 | 3.4 | CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL128712 | 18931 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 499 | 4 | 1 | 4 | 3.4 | CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 10029477 | 20679 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CN)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130905 | 20679 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CN)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10051081 | 116877 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338383 | 116877 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| 10256281 | 18872 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 524 | 7 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128422 | 18872 | 0 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 524 | 7 | 2 | 4 | 4.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 56848626 | 143693 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 9 | 2 | 7 | 4.2 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3900528 | 143693 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 557 | 9 | 2 | 7 | 4.2 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2F)c1=O)c1ccccc1Cl | nan | ||
| 10766187 | 12823 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 1 | 3 | 6.1 | CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118863 | 12823 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 455 | 6 | 1 | 3 | 6.1 | CCCN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 11798757 | 204265 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71305 | 204265 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(03)00388-3 | ||
| 10737018 | 30600 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 356 | 5 | 1 | 2 | 5.5 | CCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL139415 | 30600 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 356 | 5 | 1 | 2 | 5.5 | CCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 44374839 | 120143 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL351587 | 120143 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 44352373 | 22288 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 8 | 3 | 5 | 3.4 | CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL132389 | 22288 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 543 | 8 | 3 | 5 | 3.4 | CC(C)C[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 8105663 | 13397 | 5 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL119291 | 13397 | 5 | None | - | 0 | Rat | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccccc1C(=O)N1CCCc2ccccc21)c1ccccc1 | 10.1021/jm960133o | ||
| 44336379 | 107390 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL318083 | 107390 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 582 | 8 | 2 | 4 | 5.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCCN(C)C)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 86690920 | 145517 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 6 | 1 | 7 | 5.5 | O=c1n(Cc2cnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3915055 | 145517 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 6 | 1 | 7 | 5.5 | O=c1n(Cc2cnc(-c3ccccc3C(F)(F)F)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 69940395 | 149054 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2ncc(-c3ccccc3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3943019 | 149054 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2ncc(-c3ccccc3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 87388676 | 151842 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 533 | 6 | 1 | 8 | 4.4 | O=c1n(Cc2nc(-c3ccccc3C(F)(F)F)no2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3965602 | 151842 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 533 | 6 | 1 | 8 | 4.4 | O=c1n(Cc2nc(-c3ccccc3C(F)(F)F)no2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 2173 | 2935 | 13 | None | - | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| 3038506 | 2935 | 13 | None | - | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| CHEMBL332447 | 2935 | 13 | None | - | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| DB05838 | 2935 | 13 | None | - | 2 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| 19699114 | 53346 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)C3CCCCC3)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL160029 | 53346 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)C3CCCCC3)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| 14981577 | 78848 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 636 | 11 | 2 | 7 | 3.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCCCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112900 | 78848 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 636 | 11 | 2 | 7 | 3.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCCCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 2241 | 2206 | 1 | None | -208 | 4 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 9810632 | 2206 | 1 | None | -208 | 4 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL127686 | 2206 | 1 | None | -208 | 4 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 44273425 | 98875 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL279281 | 98875 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@@H](O)CNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44273369 | 99516 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283524 | 99516 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 500 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10007685 | 98572 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 548 | 7 | 2 | 4 | 4.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL276906 | 98572 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 548 | 7 | 2 | 4 | 4.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 44374839 | 120143 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL351587 | 120143 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cn(C)nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 10716676 | 110391 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 3 | 4.9 | CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL324488 | 110391 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 2 | 3 | 4.9 | CNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 44293784 | 187873 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 444 | 3 | 1 | 4 | 4.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(F)ccc1F | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49657 | 187873 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 444 | 3 | 1 | 4 | 4.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(F)ccc1F | 10.1016/s0960-894x(99)00279-6 | ||
| 71450903 | 78849 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 614 | 12 | 3 | 9 | 0.8 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112901 | 78849 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 614 | 12 | 3 | 9 | 0.8 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(CO)CO)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 71449109 | 78850 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00031a004 | ||
| CHEMBL2112902 | 78850 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00031a004 | ||
| 10257352 | 78753 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112666 | 78753 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 8 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10326385 | 155662 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL405016 | 155662 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 609 | 7 | 2 | 8 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.12.041 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.12.041 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.12.041 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.12.041 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2012.12.041 | ||||
| 10647295 | 110247 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC#N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL323802 | 110247 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 452 | 5 | 1 | 4 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)CC#N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44212554 | 103648 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL308741 | 103648 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10622282 | 13134 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm960133o | ||
| CHEMBL119087 | 13134 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm960133o | ||
| 22405331 | 135314 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 400 | 2 | 0 | 2 | 5.6 | O=C(c1ccc(-c2cc(F)cc(F)c2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL372766 | 135314 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 400 | 2 | 0 | 2 | 5.6 | O=C(c1ccc(-c2cc(F)cc(F)c2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 44273473 | 72755 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 5 | 0 | 6 | 3.2 | CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20002 | 72755 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 5 | 0 | 6 | 3.2 | CC(=O)OC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10392579 | 116669 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 6 | 1 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337221 | 116669 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 542 | 6 | 1 | 5 | 3.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352455 | 168606 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 701 | 12 | 4 | 8 | 1.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL436189 | 168606 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 701 | 12 | 4 | 8 | 1.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 2812 | 4747 | 101 | None | - | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| CHEMBL104 | 4747 | 101 | None | - | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| 44335386 | 107983 | 0 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL319433 | 107983 | 0 | None | 14 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| 44352171 | 20784 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 7 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)C1=CCC(=O)N=C1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130993 | 20784 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 565 | 7 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)C1=CCC(=O)N=C1)C2 | 10.1021/jm00077a002 | ||
| 10366192 | 116666 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 3.6 | CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL337212 | 116666 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 444 | 4 | 1 | 3 | 3.6 | CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 53378951 | 144755 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 507 | 6 | 1 | 5 | 5.7 | O=c1n(Cc2cccc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL3909196 | 144755 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 507 | 6 | 1 | 5 | 5.7 | O=c1n(Cc2cccc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| 10837161 | 11888 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 447 | 4 | 1 | 3 | 5.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118270 | 11888 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 447 | 4 | 1 | 3 | 5.6 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10716675 | 114889 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 5.0 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL334225 | 114889 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 5.0 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 14981578 | 78844 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 2.3 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCOCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112897 | 78844 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 638 | 11 | 2 | 8 | 2.3 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)NC2CCOCC2)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10074681 | 117027 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 499 | 4 | 0 | 4 | 3.4 | CN1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL339132 | 117027 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 499 | 4 | 0 | 4 | 3.4 | CN1CC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 2812 | 4747 | 101 | None | - | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| CHEMBL104 | 4747 | 101 | None | - | 34 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 344 | 4 | 0 | 2 | 5.4 | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 | 10.1021/jm301749y | ||
| 44332207 | 107235 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL316958 | 107235 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 504 | 3 | 1 | 2 | 7.6 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/j.bmcl.2004.02.103 | ||
| 53378730 | 152919 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 7 | 1 | 7 | 5.4 | O=c1n(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)nc(-c2ccc(Cl)s2)n1Cc1ccccc1F | nan | ||
| CHEMBL3975038 | 152919 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 548 | 7 | 1 | 7 | 5.4 | O=c1n(Cc2nnc(Cc3ccccc3C(F)(F)F)[nH]2)nc(-c2ccc(Cl)s2)n1Cc1ccccc1F | nan | ||
| 10692266 | 14098 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 398 | 3 | 1 | 2 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL119806 | 14098 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 398 | 3 | 1 | 2 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44335356 | 5193 | 0 | None | 5 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL106229 | 5193 | 0 | None | 5 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 44352185 | 21373 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 673 | 11 | 3 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131477 | 21373 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 673 | 11 | 3 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44272997 | 71692 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL19658 | 71692 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 499 | 4 | 1 | 5 | 2.6 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@H](N)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10715974 | 11890 | 0 | None | - | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL118271 | 11890 | 0 | None | - | 2 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10835094 | 12054 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 3 | 1 | 2 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| CHEMBL118387 | 12054 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 404 | 3 | 1 | 2 | 5.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| 10598596 | 12909 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 5.3 | CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118922 | 12909 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 427 | 5 | 2 | 3 | 5.3 | CCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 10743970 | 113038 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 5.2 | CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL331173 | 113038 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 1 | 5 | 5.2 | CCOC(=O)CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 22099567 | 101312 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL296814 | 101312 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00278-4 | ||
| 23598560 | 4419 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 512 | 4 | 1 | 2 | 7.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101678 | 4419 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 512 | 4 | 1 | 2 | 7.9 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 44309960 | 204258 | 1 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71282 | 204258 | 1 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1cccc(Cl)c1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 15307971 | 204534 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 418 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL72945 | 204534 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 418 | 3 | 1 | 2 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 18917519 | 187323 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 525 | 7 | 0 | 5 | 5.1 | Cc1ccc(F)cc1C(=O)N(CCCN(C)C)c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49323 | 187323 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 525 | 7 | 0 | 5 | 5.1 | Cc1ccc(F)cc1C(=O)N(CCCN(C)C)c1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 14981575 | 78843 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112896 | 78843 | 0 | None | - | 1 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 582 | 10 | 1 | 7 | 2.1 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@H](CCS(C)(=O)=O)N(C)C)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10483940 | 117248 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 616 | 9 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339497 | 117248 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 616 | 9 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 9868852 | 75264 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 459 | 2 | 1 | 5 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Br)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL203739 | 75264 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 459 | 2 | 1 | 5 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Br)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 56848622 | 147915 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.3 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3933782 | 147915 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 595 | 9 | 3 | 8 | 3.3 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 44293763 | 101481 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL297990 | 101481 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 9826254 | 163285 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 11763684 | 131331 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 9 | 1 | 6 | 7.0 | CN1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL368818 | 131331 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 650 | 9 | 1 | 6 | 7.0 | CN1CCCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 9939929 | 167567 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 664 | 10 | 1 | 6 | 7.4 | CN(C)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL430083 | 167567 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 664 | 10 | 1 | 6 | 7.4 | CN(C)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 9826254 | 163285 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 9826254 | 163285 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 44374781 | 53151 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL159856 | 53151 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sc(Cl)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 9826254 | 163285 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 9826254 | 163285 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL418890 | 163285 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 69940338 | 150605 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cn(-c3ccccc3Cl)cn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3955416 | 150605 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cn(-c3ccccc3Cl)cn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 2168 | 3945 | 38 | None | - | 9 | Pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00050-4 | ||||
| 2810 | 3945 | 38 | None | - | 9 | Pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00050-4 | ||||
| 644077 | 3945 | 38 | None | - | 9 | Pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00050-4 | ||||
| CHEMBL373742 | 3945 | 38 | None | - | 9 | Pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00050-4 | ||||
| DB00067 | 3945 | 38 | None | - | 9 | Pig | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1016/S0960-894X(97)00050-4 | ||||
| 44374802 | 119977 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 442 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350089 | 119977 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 442 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| 20825285 | 109170 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 4 | 1 | 3 | 8.2 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)c(Cl)c2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL321561 | 109170 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 595 | 4 | 1 | 3 | 8.2 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)c(Cl)c2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 10578460 | 60401 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 6 | 1 | 5 | 7.1 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3cccnc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL175182 | 60401 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 544 | 6 | 1 | 5 | 7.1 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3cccnc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 11190868 | 60531 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 5 | 1 | 4 | 6.7 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc21 | 10.1021/jm00137a004 | ||
| CHEMBL175930 | 60531 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 5 | 1 | 4 | 6.7 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc21 | 10.1021/jm00137a004 | ||
| 11190868 | 60531 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 5 | 1 | 4 | 6.7 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc21 | 10.1021/jm00137a004 | ||
| CHEMBL175930 | 60531 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 5 | 1 | 4 | 6.7 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCCc2sccc21 | 10.1021/jm00137a004 | ||
| 11239468 | 130662 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 704 | 10 | 1 | 6 | 8.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1OCCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL368353 | 130662 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 704 | 10 | 1 | 6 | 8.3 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1OCCCC(=O)N1CCC(N2CCCCC2)CC1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 11167861 | 131323 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 6.7 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| CHEMBL368791 | 131323 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 495 | 5 | 1 | 4 | 6.7 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| 56848686 | 144513 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 653 | 9 | 2 | 8 | 6.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3907257 | 144513 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 653 | 9 | 2 | 8 | 6.0 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)s2)n(Cc2ccccc2F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 10762739 | 114356 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL333135 | 114356 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44404614 | 165726 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL424663 | 165726 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 378 | 2 | 0 | 2 | 5.7 | Cc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 119369 | 2588 | 74 | None | -1 | 8 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| 2197 | 2588 | 74 | None | -1 | 8 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| 4004 | 2588 | 74 | None | -1 | 8 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| CHEMBL420762 | 2588 | 74 | None | -1 | 8 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| 11476070 | 60441 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 436 | 4 | 1 | 3 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCCc3occc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| CHEMBL175411 | 60441 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 436 | 4 | 1 | 3 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCCc3occc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| 44273426 | 77077 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20757 | 77077 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.6 | C[C@H](CO)NC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44352311 | 18920 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128652 | 18920 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 44352372 | 20610 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 558 | 9 | 4 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130848 | 20610 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 558 | 9 | 4 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 10460052 | 22088 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 2.3 | CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL132211 | 22088 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 8 | 2 | 5 | 2.3 | CN(C)CC(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 71449094 | 78750 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 581 | 8 | 3 | 7 | 1.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112663 | 78750 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 581 | 8 | 3 | 7 | 1.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@](O)(CNC(=O)C(N)CS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10392298 | 116787 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CC[N+](=O)[O-])C2 | 10.1021/jm00077a002 | ||
| CHEMBL337888 | 116787 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 532 | 8 | 2 | 6 | 2.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CC[N+](=O)[O-])C2 | 10.1021/jm00077a002 | ||
| 9982888 | 168426 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 3.5 | CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL435009 | 168426 | 0 | None | - | 0 | Rat | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 486 | 6 | 2 | 4 | 3.5 | CC(=O)NCC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44273259 | 73491 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 2.5 | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20171 | 73491 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 557 | 7 | 1 | 6 | 2.5 | CN(CCO)C1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 11793558 | 28357 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 370 | 6 | 1 | 2 | 5.9 | CCCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL137500 | 28357 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 370 | 6 | 1 | 2 | 5.9 | CCCCCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 14981576 | 78841 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 610 | 12 | 1 | 7 | 2.9 | CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| CHEMBL2112894 | 78841 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 610 | 12 | 1 | 7 | 2.9 | CCN(CC)[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| 21467167 | 60504 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 4 | 1 | 3 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| CHEMBL175813 | 60504 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 452 | 4 | 1 | 3 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| CHEMBL1790937 | 208883 | 0 | None | - | 2 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 67412781 | 154248 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 6 | 1 | 8 | 4.0 | O=c1n(Cc2nnc(-c3ccccc3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3986461 | 154248 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 6 | 1 | 8 | 4.0 | O=c1n(Cc2nnc(-c3ccccc3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10692311 | 164014 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 399 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL420880 | 164014 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 399 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 10591515 | 118857 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(-n2cccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL342251 | 118857 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 316 | 2 | 0 | 2 | 4.5 | O=C(c1ccc(-n2cccc2)cc1)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 44352164 | 18862 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 541 | 4 | 1 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CC(O)CN3C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128383 | 18862 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 541 | 4 | 1 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CC(O)CN3C1=O)C2 | 10.1021/jm00077a002 | ||
| 18917554 | 189797 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 497 | 5 | 1 | 5 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL51645 | 189797 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 497 | 5 | 1 | 5 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 21837085 | 102229 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL303176 | 102229 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 2173 | 2935 | 13 | None | 8 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| 3038506 | 2935 | 13 | None | 8 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| CHEMBL332447 | 2935 | 13 | None | 8 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| DB05838 | 2935 | 13 | None | 8 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/jm020133q | ||
| CHEMBL126765 | 208645 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00099a019 | ||||
| 10483940 | 117248 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 616 | 9 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339497 | 117248 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 616 | 9 | 2 | 6 | 3.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(CCS(C)(=O)=O)c1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44433367 | 89818 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL237772 | 89818 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3C=CC(=O)N3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2007.08.053 | ||
| 11157078 | 94166 | 7 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249741 | 94166 | 7 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 10758700 | 24830 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 328 | 3 | 1 | 2 | 4.8 | CCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL134525 | 24830 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 328 | 3 | 1 | 2 | 4.8 | CCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 19699060 | 56117 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 3 | 2 | 4 | 5.4 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL162588 | 56117 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 466 | 3 | 2 | 4 | 5.4 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(00)00084-6 | ||
| 44352442 | 163439 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 3.5 | CN(C)[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL419973 | 163439 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 567 | 8 | 2 | 5 | 3.5 | CN(C)[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 9937535 | 63008 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788221 | 63008 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 21837086 | 169426 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 1 | 3 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL442743 | 169426 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 425 | 3 | 1 | 3 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(03)00388-3 | ||
| 10519373 | 116648 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 314 | 2 | 1 | 2 | 4.4 | CNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL337098 | 116648 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 314 | 2 | 1 | 2 | 4.4 | CNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 14981574 | 78845 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| CHEMBL2112898 | 78845 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1CC2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1021/jm00031a004 | ||
| 10483105 | 90651 | 1 | None | - | 4 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL2391300 | 90651 | 1 | None | - | 4 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 56848687 | 150457 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 581 | 11 | 2 | 9 | 2.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O | nan | ||
| CHEMBL3954357 | 150457 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 581 | 11 | 2 | 9 | 2.5 | COCCn1c(-c2ccc(Cl)s2)nn(CC(=O)NCC(NS(C)(=O)=O)c2ccccc2C(F)(F)F)c1=O | nan | ||
| 19699076 | 120180 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 500 | 3 | 2 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1)c1cc(Cl)ccc1F | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL351970 | 120180 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 500 | 3 | 2 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1)c1cc(Cl)ccc1F | 10.1016/s0960-894x(00)00084-6 | ||
| 44352441 | 20658 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130887 | 20658 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1ccccn1)C2 | 10.1021/jm00077a002 | ||
| 5280343 | 188251 | 124 | None | -147 | 32 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL1520590 | 188251 | 124 | None | -147 | 32 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL50 | 188251 | 124 | None | -147 | 32 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| 19699133 | 119905 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL349506 | 119905 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 3 | 1 | 5 | 5.9 | Cn1cc2c(n1)-c1sccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1)CC2 | 10.1016/s0960-894x(00)00084-6 | ||
| 44357890 | 168369 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | ||
| CHEMBL434654 | 168369 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 462 | 5 | 1 | 3 | 6.0 | Cc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(C)c1 | 10.1021/jm000108p | ||
| 44332272 | 107212 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)c1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL316849 | 107212 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCC4(C=CCCC4)Cc4ccccc43)cc2)c1 | 10.1016/j.bmcl.2004.02.103 | ||
| 11351397 | 60977 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 4 | 1 | 3 | 5.9 | Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 | 10.1021/jm00137a004 | ||
| CHEMBL176264 | 60977 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 4 | 1 | 3 | 5.9 | Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 | 10.1021/jm00137a004 | ||
| CHEMBL339118 | 211594 | 0 | None | -19 | 2 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44352496 | 19529 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 538 | 4 | 1 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CCC(=N)N3C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL129983 | 19529 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 538 | 4 | 1 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C3CCC(=N)N3C1=O)C2 | 10.1021/jm00077a002 | ||
| 23598598 | 4935 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 23598600 | 5335 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL106938 | 5335 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 594 | 7 | 2 | 4 | 5.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 11070458 | 17755 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(C)NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2Cl)c2ccccc21 | 10.1021/jm020133q | ||
| CHEMBL125878 | 17755 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(C)NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2Cl)c2ccccc21 | 10.1021/jm020133q | ||
| 9801970 | 140695 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.1 | Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL381763 | 140695 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.1 | Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2005.10.107 | ||
| 44332168 | 4453 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 436 | 3 | 1 | 2 | 6.3 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101935 | 4453 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 436 | 3 | 1 | 2 | 6.3 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 9799174 | 140548 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 2 | 0 | 2 | 5.4 | O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL381248 | 140548 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 364 | 2 | 0 | 2 | 5.4 | O=C(c1ccc(-c2ccccc2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 44273316 | 98843 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL279022 | 98843 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 589 | 7 | 1 | 5 | 4.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C[C@@H](NCc3ccccc3)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 71720517 | 86978 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| CHEMBL2324200 | 86978 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| 5280343 | 188251 | 124 | None | -147 | 32 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL1520590 | 188251 | 124 | None | -147 | 32 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL50 | 188251 | 124 | None | -147 | 32 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| 44293777 | 188085 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1c(F)cccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL49824 | 188085 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 460 | 3 | 1 | 4 | 5.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1c(F)cccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 10837633 | 102997 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL306970 | 102997 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1021/jm980179c | ||
| 10719289 | 205609 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL81755 | 205609 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1Cl | 10.1021/jm980179c | ||
| 44214518 | 119873 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 561 | 5 | 2 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL349141 | 119873 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 561 | 5 | 2 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2Cc3ccc(C(=O)O)n3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00095-0 | ||
| 10551037 | 204211 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL70981 | 204211 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 9954905 | 101885 | 4 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL300946 | 101885 | 4 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 440 | 3 | 1 | 4 | 4.8 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1 | 10.1016/s0960-894x(99)00279-6 | ||
| 10837633 | 102997 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL306970 | 102997 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 459 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccc(F)cc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 10551037 | 204211 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL70981 | 204211 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 439 | 3 | 1 | 3 | 5.4 | Cc1c(F)cccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10764664 | 204356 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71797 | 204356 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10231366 | 4922 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.7 | O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL104796 | 4922 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.7 | O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 9915472 | 169499 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL443498 | 169499 | 0 | None | 14 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 11422294 | 62276 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 636 | 8 | 1 | 6 | 6.6 | CN(C)C1CCN(C(=O)COc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL177885 | 62276 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 636 | 8 | 1 | 6 | 6.6 | CN(C)C1CCN(C(=O)COc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 10764664 | 204356 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| CHEMBL71797 | 204356 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1021/jm980179c | ||
| 10495509 | 115101 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 314 | 1 | 1 | 2 | 4.2 | Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc21 | 10.1021/jm000108p | ||
| CHEMBL334376 | 115101 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 314 | 1 | 1 | 2 | 4.2 | Cc1cc(N)ccc1C(=O)N1CCCCc2cc(Cl)ccc21 | 10.1021/jm000108p | ||
| 10814200 | 163480 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 | 10.1021/jm980179c | ||
| CHEMBL420216 | 163480 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 3 | 6.2 | Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)c(Cl)c2)c1 | 10.1021/jm980179c | ||
| 44293778 | 101593 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 476 | 3 | 1 | 4 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL298911 | 101593 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 476 | 3 | 1 | 4 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Cl)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 69939726 | 145004 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 8 | 3.6 | O=c1n(Cc2cn(-c3ccccc3Cl)nn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3911148 | 145004 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 498 | 6 | 1 | 8 | 3.6 | O=c1n(Cc2cn(-c3ccccc3Cl)nn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10742418 | 104459 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| CHEMBL310416 | 104459 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 455 | 3 | 1 | 3 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1 | 10.1021/jm980179c | ||
| 53379068 | 142346 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 5.4 | O=C(O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| CHEMBL3889504 | 142346 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 551 | 7 | 2 | 6 | 5.4 | O=C(O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| 10527151 | 102146 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm980179c | ||
| CHEMBL302709 | 102146 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm980179c | ||
| 86690918 | 151796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 547 | 6 | 1 | 6 | 6.4 | O=c1n(Cc2ccc(-c3cccc(Cl)c3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3965329 | 151796 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 547 | 6 | 1 | 6 | 6.4 | O=c1n(Cc2ccc(-c3cccc(Cl)c3Cl)s2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 69940091 | 147892 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2ccnc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3933604 | 147892 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 508 | 6 | 1 | 6 | 5.1 | O=c1n(Cc2ccnc(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10548204 | 12352 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| CHEMBL118562 | 12352 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 386 | 4 | 1 | 3 | 4.5 | COc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| 10762667 | 12784 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL118829 | 12784 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 385 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 71720517 | 86978 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| CHEMBL2324200 | 86978 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| 1307424 | 12403 | 12 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL118595 | 12403 | 12 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1cccc(C(=O)N2CCCc3ccccc32)c1)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL419793 | 213218 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10595449 | 10484 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL116820 | 10484 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 372 | 3 | 1 | 3 | 4.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44272960 | 73236 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 3.2 | CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20126 | 73236 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 3.2 | CCNC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 11757133 | 116914 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 543 | 6 | 2 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338548 | 116914 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 543 | 6 | 2 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 9889904 | 140321 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL380733 | 140321 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2005.10.107 | ||
| 44309820 | 204205 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 3 | 2 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL70949 | 204205 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 433 | 3 | 2 | 3 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Nc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 2981363 | 12491 | 7 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| CHEMBL118660 | 12491 | 7 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 390 | 3 | 1 | 2 | 5.2 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1Cl | 10.1021/jm960133o | ||
| 10030231 | 18884 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 541 | 6 | 1 | 4 | 4.5 | CC(C)CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| CHEMBL128489 | 18884 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 541 | 6 | 1 | 4 | 4.5 | CC(C)CC1NC(=O)N([C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1021/jm00077a002 | ||
| 44352302 | 18926 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 6.7 | CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL128687 | 18926 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 6.7 | CN(C)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL1790938 | 208884 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10693776 | 10129 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| CHEMBL115853 | 10129 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)cc2)cc1 | 10.1021/jm960133o | ||
| 9935969 | 120126 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c(Cl)[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL351453 | 120126 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c(Cl)[nH]c4cccc2c34)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 23598642 | 154780 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL400267 | 154780 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 541 | 6 | 2 | 3 | 7.1 | CNCC1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 10460610 | 172606 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 567 | 6 | 1 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL449399 | 172606 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 567 | 6 | 1 | 7 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 14969548 | 202108 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 477 | 11 | 1 | 4 | 4.9 | NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL60905 | 202108 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 477 | 11 | 1 | 4 | 4.9 | NCCCCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 9937535 | 63008 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788221 | 63008 | 1 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 554 | 7 | 2 | 4 | 5.1 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3F)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 86690936 | 149103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 7 | 1 | 10 | 3.2 | O=c1n(S(=O)(=O)c2ncnn2Cc2ccccc2C(F)(F)F)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| CHEMBL3943296 | 149103 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 7 | 1 | 10 | 3.2 | O=c1n(S(=O)(=O)c2ncnn2Cc2ccccc2C(F)(F)F)nc(-c2ccc(Cl)cc2)n1CC(O)C(F)(F)F | nan | ||
| 10461149 | 117254 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 596 | 7 | 4 | 8 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CNc3n[nH]c(N)n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339524 | 117254 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 596 | 7 | 4 | 8 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CNc3n[nH]c(N)n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352413 | 21432 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131551 | 21432 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 71720517 | 86978 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| CHEMBL2324200 | 86978 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| 132072820 | 180909 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 610 | 8 | 0 | 7 | 5.4 | COC(=O)[C@H]1[C@@H](OCc2cccc(OC)c2)CC[C@H]2CN3CC[C@@]4(C(=O)N(Cc5cccc(OC)c5)c5ccccc54)[C@@H]3C[C@@H]21 | 10.1016/j.bmc.2020.115546 | ||
| CHEMBL4758081 | 180909 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 610 | 8 | 0 | 7 | 5.4 | COC(=O)[C@H]1[C@@H](OCc2cccc(OC)c2)CC[C@H]2CN3CC[C@@]4(C(=O)N(Cc5cccc(OC)c5)c5ccccc54)[C@@H]3C[C@@H]21 | 10.1016/j.bmc.2020.115546 | ||
| 10369423 | 168555 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435815 | 168555 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 520 | 6 | 1 | 3 | 4.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccc1)C2 | 10.1021/jm00077a002 | ||
| 44352400 | 18873 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128423 | 18873 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| 9910527 | 75889 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 429 | 2 | 0 | 5 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4N(C)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL205013 | 75889 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 429 | 2 | 0 | 5 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4N(C)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 56848684 | 148388 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3937650 | 148388 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 545 | 9 | 2 | 7 | 3.9 | NC(=O)OC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(CCC(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 44294195 | 101288 | 1 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 519 | 4 | 1 | 5 | 6.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(-c2ccccn2)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL296619 | 101288 | 1 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 519 | 4 | 1 | 5 | 6.1 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(-c2ccccn2)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 44352347 | 116780 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 540 | 6 | 4 | 7 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1n[nH]c(N)n1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL337853 | 116780 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 540 | 6 | 4 | 7 | 2.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1n[nH]c(N)n1)C2 | 10.1021/jm00077a002 | ||
| 44352184 | 116949 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 687 | 11 | 2 | 8 | 2.5 | Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL338711 | 116949 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 687 | 11 | 2 | 8 | 2.5 | Cn1cnc(CC(=O)NC(CCS(C)(=O)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 44352374 | 18495 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 529 | 7 | 3 | 5 | 3.0 | CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL127445 | 18495 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 529 | 7 | 3 | 5 | 3.0 | CC(C)[C@H](N)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 9824954 | 73831 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL201889 | 73831 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 449 | 2 | 1 | 5 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 56848488 | 149531 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3946734 | 149531 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 609 | 10 | 3 | 8 | 3.3 | NC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 56848554 | 151821 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 595 | 10 | 3 | 8 | 2.3 | CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3965460 | 151821 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 595 | 10 | 3 | 8 | 2.3 | CS(=O)(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 10503021 | 102709 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1021/jm980179c | ||
| CHEMBL304956 | 102709 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 435 | 3 | 1 | 3 | 5.6 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)c1C | 10.1021/jm980179c | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2007.09.059 | ||
| 54582950 | 63007 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788220 | 63007 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 10527151 | 102146 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL302709 | 102146 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 441 | 3 | 1 | 3 | 5.6 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(03)00388-3 | ||
| 10642447 | 119274 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 2 | 5.4 | CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL343945 | 119274 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 362 | 3 | 1 | 2 | 5.4 | CCNc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| 44335329 | 167814 | 0 | None | 1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL430841 | 167814 | 0 | None | 1 | 2 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 21467167 | 60504 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 452 | 4 | 1 | 3 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| CHEMBL175813 | 60504 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 452 | 4 | 1 | 3 | 6.7 | O=C(Nc1ccc(C(=O)N2CCCCc3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm00137a004 | ||
| 9851013 | 120197 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 570 | 7 | 1 | 5 | 6.7 | COc1cc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL352150 | 120197 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 570 | 7 | 1 | 5 | 6.7 | COc1cc(C(=O)N2Cc3ccc(CN(C)C)n3Cc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(00)00095-0 | ||
| 67408780 | 152105 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 550 | 7 | 2 | 6 | 4.8 | NC(=O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| CHEMBL3967902 | 152105 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 550 | 7 | 2 | 6 | 4.8 | NC(=O)c1ccc(-c2ccccc2Cl)cc1Cn1nc(-c2ccc(Cl)cc2)n(CC(O)C(F)(F)F)c1=O | nan | ||
| 10831068 | 27178 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 340 | 4 | 1 | 2 | 4.9 | C=CCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| CHEMBL136644 | 27178 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 340 | 4 | 1 | 2 | 4.9 | C=CCNc1ccc(C(=O)N2CCCCc3ccccc32)c(Cl)c1 | 10.1021/jm000108p | ||
| 10765617 | 12421 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 6 | 2 | 3 | 5.7 | CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118609 | 12421 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 441 | 6 | 2 | 3 | 5.7 | CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 44377836 | 57503 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL166261 | 57503 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 505 | 4 | 2 | 2 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCc3c[nH]c4cccc2c34)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 11365307 | 62076 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 586 | 8 | 1 | 5 | 7.7 | CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| CHEMBL177556 | 62076 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 586 | 8 | 1 | 5 | 7.7 | CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| 10840974 | 61749 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 7 | 1 | 6 | 5.8 | CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 | 10.1021/jm030287l | ||
| CHEMBL177285 | 61749 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 579 | 7 | 1 | 6 | 5.8 | CN1CCN(CCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccsc32)CC1 | 10.1021/jm030287l | ||
| 11365307 | 62076 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 586 | 8 | 1 | 5 | 7.7 | CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| CHEMBL177556 | 62076 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 586 | 8 | 1 | 5 | 7.7 | CN(CCc1cccnc1)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm00137a004 | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm00137a004 | ||
| 15307972 | 204326 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 3 | 1 | 2 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71626 | 204326 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 446 | 3 | 1 | 2 | 6.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 71720517 | 86978 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| CHEMBL2324200 | 86978 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 822 | 2 | 2 | 4 | 6.0 | O=C1OC(c2cc(I)c(O)c(I)c2)(c2c(I)cc(O)cc2I)c2ccccc21 | 10.1021/jm301749y | ||
| 10737785 | 27352 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 5.2 | CC1CCN(c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)C1 | 10.1021/jm000108p | ||
| CHEMBL136790 | 27352 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 5.2 | CC1CCN(c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)C1 | 10.1021/jm000108p | ||
| 15298022 | 72011 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 370 | 2 | 0 | 3 | 5.4 | O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL197616 | 72011 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 370 | 2 | 0 | 3 | 5.4 | O=C(c1ccc(-c2cccs2)cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 71458039 | 78846 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00031a004 | ||
| CHEMBL2112899 | 78846 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00031a004 | ||
| 10256467 | 20475 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130742 | 20475 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 44352438 | 115195 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 541 | 6 | 3 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL334610 | 115195 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 541 | 6 | 3 | 5 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| 44352412 | 115473 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335182 | 115473 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)Cc1ccncc1)C2 | 10.1021/jm00077a002 | ||
| 11269308 | 122587 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 390 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1 | 10.1021/jm00137a004 | ||
| CHEMBL360272 | 122587 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 390 | 3 | 1 | 3 | 5.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3sccc32)cc1 | 10.1021/jm00137a004 | ||
| CHEMBL1790937 | 208883 | 0 | None | - | 2 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 9984805 | 117032 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 4.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339155 | 117032 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 541 | 7 | 2 | 4 | 4.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCC1CCCNC1)C2 | 10.1021/jm00077a002 | ||
| 11432362 | 94108 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL249340 | 94108 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 10621059 | 114235 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] | 10.1021/jm960133o | ||
| CHEMBL333055 | 114235 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1[N+](=O)[O-] | 10.1021/jm960133o | ||
| 44310140 | 204444 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 4.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL72342 | 204444 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 423 | 3 | 2 | 4 | 4.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1O | 10.1016/s0960-894x(03)00388-3 | ||
| 44352427 | 116788 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.2 | CC(C)[C@H](NC(=O)Cc1c[nH]cn1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL337889 | 116788 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 637 | 10 | 4 | 6 | 3.2 | CC(C)[C@H](NC(=O)Cc1c[nH]cn1)C(=O)NC[C@@]1(O)C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 10258572 | 118073 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC(CC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340676 | 118073 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CC(CC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 14969539 | 167937 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 434 | 8 | 0 | 3 | 5.2 | CCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL431723 | 167937 | 0 | None | - | 0 | Rat | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 434 | 8 | 0 | 3 | 5.2 | CCCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44273321 | 167478 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL429971 | 167478 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 542 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCN)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 44377521 | 120053 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 7 | 1 | 5 | 7.0 | CCOC(=O)Cn1cc2c3c(cccc31)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc1)CCC2 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL350792 | 120053 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 7 | 1 | 5 | 7.0 | CCOC(=O)Cn1cc2c3c(cccc31)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc1)CCC2 | 10.1016/s0960-894x(02)01059-4 | ||
| 23598556 | 4334 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 3 | 1 | 2 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1F | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL101157 | 4334 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 454 | 3 | 1 | 2 | 6.4 | O=C(Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1)c1ccccc1F | 10.1016/j.bmcl.2004.02.103 | ||
| 10459923 | 116316 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 539 | 5 | 1 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335944 | 116316 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 539 | 5 | 1 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 10480543 | 116499 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1CCC(N)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336195 | 116499 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 485 | 4 | 1 | 4 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1CCC(N)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352490 | 117926 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 577 | 6 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CC(S(C)(=O)=O)CN1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340362 | 117926 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 577 | 6 | 2 | 6 | 2.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C1CC(S(C)(=O)=O)CN1)C2 | 10.1021/jm00077a002 | ||
| 44352443 | 118445 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 539 | 7 | 3 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341311 | 118445 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 539 | 7 | 3 | 5 | 2.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 10437668 | 78851 | 1 | None | - | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| CHEMBL2112903 | 78851 | 1 | None | - | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CCC(C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 | 10.1021/jm00031a004 | ||
| 10415322 | 168216 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 556 | 7 | 2 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCC(N)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL433662 | 168216 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 556 | 7 | 2 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCC(N)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 2249 | 2215 | 18 | None | -54 | 6 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 9872389 | 2215 | 18 | None | -54 | 6 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL1253853 | 2215 | 18 | None | -54 | 6 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 10789935 | 11784 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.0 | CC(=O)O/N=C1\CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL118204 | 11784 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 455 | 4 | 1 | 5 | 5.0 | CC(=O)O/N=C1\CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 22405322 | 71753 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 406 | 4 | 0 | 2 | 6.3 | CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL196737 | 71753 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 406 | 4 | 0 | 2 | 6.3 | CCCc1ccc(-c2ccc(C(=O)N3Cc4cccn4Cc4ccccc43)cc2)cc1 | 10.1016/j.bmcl.2005.08.007 | ||
| 9805201 | 56227 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 480 | 3 | 2 | 4 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL162748 | 56227 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 480 | 3 | 2 | 4 | 5.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)c(Cl)c1 | 10.1016/s0960-894x(00)00084-6 | ||
| 10279928 | 107328 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 4 | 1 | 3 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL317673 | 107328 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 527 | 4 | 1 | 3 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3C4CCC(CC4)N3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 11158261 | 129624 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 692 | 12 | 1 | 6 | 8.1 | CCN(CC)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL367323 | 129624 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 692 | 12 | 1 | 6 | 8.1 | CCN(CC)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 11490613 | 161714 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 9 | 1 | 6 | 6.6 | CN1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL413748 | 161714 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 636 | 9 | 1 | 6 | 6.6 | CN1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 10390899 | 186699 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 3 | 1 | 3 | 6.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)c(Cl)c1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL48867 | 186699 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 490 | 3 | 1 | 3 | 6.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2Cc3sccc3Cc3ccccc32)c(Cl)c1 | 10.1016/s0960-894x(99)00278-4 | ||
| 10578460 | 60401 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 6 | 1 | 5 | 7.1 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3cccnc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL175182 | 60401 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 544 | 6 | 1 | 5 | 7.1 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3cccnc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 11351397 | 60977 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 4 | 1 | 3 | 5.9 | Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 | 10.1021/jm00137a004 | ||
| CHEMBL176264 | 60977 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 449 | 4 | 1 | 3 | 5.9 | Cn1ccc2c1CCCCN2C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1 | 10.1021/jm00137a004 | ||
| 10392781 | 118251 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340964 | 118251 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 549 | 7 | 2 | 5 | 4.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 3793 | 203186 | 77 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 45039617 | 203186 | 77 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| CHEMBL64391 | 203186 | 77 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 10620049 | 114079 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.9 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL332757 | 114079 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 384 | 5 | 1 | 2 | 4.9 | O=C(CCc1ccccc1)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44352392 | 116830 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 567 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338118 | 116830 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 567 | 6 | 2 | 5 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 44273013 | 99442 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 543 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCO)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283126 | 99442 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 543 | 7 | 2 | 6 | 2.2 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCCO)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10394512 | 116988 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 2.3 | Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL338921 | 116988 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 652 | 11 | 3 | 7 | 2.3 | Cn1cnc(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 44352114 | 22032 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 517 | 8 | 3 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCCO)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132165 | 22032 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 517 | 8 | 3 | 5 | 2.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCCO)C2 | 10.1021/jm00077a002 | ||
| 10393719 | 22291 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 595 | 8 | 2 | 5 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132391 | 22291 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 595 | 8 | 2 | 5 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CCNC(=O)CC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 5280343 | 188251 | 124 | None | -147 | 32 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL1520590 | 188251 | 124 | None | -147 | 32 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL50 | 188251 | 124 | None | -147 | 32 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| 3793 | 203186 | 77 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 45039617 | 203186 | 77 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| CHEMBL64391 | 203186 | 77 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 10790546 | 110620 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 5 | 2 | 4 | 4.9 | CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL325819 | 110620 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 470 | 5 | 2 | 4 | 4.9 | CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 2984025 | 12859 | 6 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 | 10.1021/jm960133o | ||
| CHEMBL118892 | 12859 | 6 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 346 | 3 | 1 | 3 | 4.1 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccco1 | 10.1021/jm960133o | ||
| 11764606 | 117338 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 630 | 9 | 0 | 7 | 3.3 | Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL339756 | 117338 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 630 | 9 | 0 | 7 | 3.3 | Cn1cnc(CC(=O)N(CCS(C)(=O)=O)[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 2981862 | 113306 | 7 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960133o | ||
| CHEMBL331647 | 113306 | 7 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 | 10.1021/jm960133o | ||
| 10414380 | 116039 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL335634 | 116039 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 521 | 6 | 1 | 4 | 4.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)Cc1ccccn1)C2 | 10.1021/jm00077a002 | ||
| 44352124 | 117026 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 512 | 7 | 2 | 5 | 3.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCC#N)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339124 | 117026 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 512 | 7 | 2 | 5 | 3.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCC#N)C2 | 10.1021/jm00077a002 | ||
| 15340668 | 203746 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL68033 | 203746 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 3 | 1 | 3 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3-c3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10483586 | 20665 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 591 | 7 | 1 | 6 | 2.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(C)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL130891 | 20665 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 591 | 7 | 1 | 6 | 2.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CCS(C)(=O)=O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 11757440 | 116903 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CCC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL338503 | 116903 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 556 | 7 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(CCC(=O)O)C1=O)C2 | 10.1021/jm00077a002 | ||
| 53378840 | 149691 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 5.3 | O=c1n(Cc2cnc(-c3cccc(Cl)c3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3947893 | 149691 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 532 | 6 | 1 | 7 | 5.3 | O=c1n(Cc2cnc(-c3cccc(Cl)c3Cl)o2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 10322392 | 4659 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 3 | 1 | 2 | 6.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL103406 | 4659 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 468 | 3 | 1 | 2 | 6.7 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 10393965 | 22024 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 610 | 7 | 3 | 8 | 2.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132157 | 22024 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 610 | 7 | 3 | 8 | 2.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)NC(CC(=O)Nc3nn[nH]n3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352123 | 118065 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 566 | 8 | 3 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL340639 | 118065 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 566 | 8 | 3 | 6 | 1.6 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C(N)CCS(N)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 15307968 | 103028 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL307271 | 103028 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10619160 | 11813 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| CHEMBL118220 | 11813 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.8 | Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 | 10.1021/jm960133o | ||
| 44352453 | 18935 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128726 | 18935 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 535 | 6 | 2 | 5 | 3.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)c1cccnc1)C2 | 10.1021/jm00077a002 | ||
| 19699097 | 119978 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 3 | 2 | 4 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350090 | 119978 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 3 | 2 | 4 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL435021 | 213638 | 2 | None | - | 2 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CNCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 9871426 | 116985 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL338901 | 116985 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)CC1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44352757 | 118428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL341173 | 118428 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44378885 | 120081 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 625 | 7 | 1 | 6 | 6.4 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc21 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL351019 | 120081 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 625 | 7 | 1 | 6 | 6.4 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1Cc2ccc(CN3CCN(C)CC3)n2Cc2ccccc21 | 10.1016/s0960-894x(00)00095-0 | ||
| 18917534 | 204271 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 485 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71355 | 204271 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 485 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)c1ccccc1Br | 10.1016/s0960-894x(03)00388-3 | ||
| 10392505 | 108565 | 0 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL320416 | 108565 | 0 | None | 4 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| 11490514 | 130663 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 622 | 10 | 1 | 6 | 7.1 | CN1CCN(CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL368354 | 130663 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 622 | 10 | 1 | 6 | 7.1 | CN1CCN(CCCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 44294175 | 101812 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 3 | 1 | 4 | 5.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Br)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL300433 | 101812 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 520 | 3 | 1 | 4 | 5.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1cc(Br)ccc1Cl | 10.1016/s0960-894x(99)00279-6 | ||
| 9959838 | 165522 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 574 | 6 | 1 | 4 | 7.3 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL424163 | 165522 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 574 | 6 | 1 | 4 | 7.3 | CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1Cl)C2 | 10.1016/s0960-894x(00)00095-0 | ||
| 10831734 | 118856 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 350 | 2 | 0 | 2 | 5.1 | O=C(c1ccc(-n2cccc2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL342250 | 118856 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 350 | 2 | 0 | 2 | 5.1 | O=C(c1ccc(-n2cccc2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 67409800 | 146873 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cnn(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3925572 | 146873 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 497 | 6 | 1 | 7 | 4.2 | O=c1n(Cc2cnn(-c3ccccc3Cl)c2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 56848491 | 152395 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 4.7 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| CHEMBL3970631 | 152395 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 651 | 9 | 3 | 8 | 4.7 | CC(C)(C)OC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1C(F)(F)F | nan | ||
| 10595343 | 114398 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.9 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL333201 | 114398 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 370 | 3 | 1 | 2 | 4.9 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| 44332273 | 169093 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| CHEMBL440147 | 169093 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 450 | 3 | 1 | 2 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC3(C=CCCC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.02.103 | ||
| 10626339 | 128623 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 543 | 6 | 1 | 4 | 7.7 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL366790 | 128623 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 543 | 6 | 1 | 4 | 7.7 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 5280343 | 188251 | 124 | None | -147 | 32 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL1520590 | 188251 | 124 | None | -147 | 32 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| CHEMBL50 | 188251 | 124 | None | -147 | 32 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | 10.1021/jm301749y | ||
| 9981665 | 118451 | 4 | None | -77 | 6 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341339 | 118451 | 4 | None | -77 | 6 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm00077a002 | ||
| 11798122 | 114506 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.9 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL333597 | 114506 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 5 | 4.9 | CN(C)C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 11238362 | 168884 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL438523 | 168884 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 562 | 6 | 2 | 4 | 6.5 | CCOc1cc(C(=O)N2CC[C@]3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 19699097 | 119978 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 3 | 2 | 4 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| CHEMBL350090 | 119978 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 446 | 3 | 2 | 4 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc32)cc1 | 10.1016/s0960-894x(00)00084-6 | ||
| 977621 | 10057 | 12 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 322 | 4 | 1 | 2 | 4.0 | CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL115434 | 10057 | 12 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 322 | 4 | 1 | 2 | 4.0 | CCCC(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| 44273173 | 98997 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL280202 | 98997 | 0 | None | - | 0 | Rat | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 44335241 | 167974 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 575 | 4 | 1 | 3 | 8.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL432009 | 167974 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 575 | 4 | 1 | 3 | 8.0 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(CC5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL2112250 | 209214 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44273034 | 99020 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.3 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCC(=O)O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL280356 | 99020 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 557 | 7 | 2 | 6 | 2.3 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CC(NCC(=O)O)C1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 14969534 | 167860 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 412 | 2 | 0 | 2 | 4.0 | O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL431159 | 167860 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 412 | 2 | 0 | 2 | 4.0 | O=C(c1ccc(Br)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 9986160 | 117344 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 608 | 7 | 2 | 6 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)Nc3ncc[nH]3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339768 | 117344 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 608 | 7 | 2 | 6 | 3.1 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(CC(=O)Nc3ncc[nH]3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL2112655 | 209221 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 44352146 | 117191 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL339433 | 117191 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 2.5 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CN1C(=O)CNC1=O)C2 | 10.1021/jm00077a002 | ||
| 44352491 | 118203 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.7 | C[S+]([O-])CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL340915 | 118203 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 549 | 8 | 2 | 5 | 2.7 | C[S+]([O-])CCC(N)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL2112651 | 209219 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10369550 | 118450 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL341338 | 118450 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cncc1CC(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 44444760 | 154595 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399288 | 154595 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 518 | 4 | 2 | 3 | 6.1 | O=C(O)C1=CC2(CC1)CCN(C(=O)c1ccc(NC(=O)c3cc(F)ccc3Cl)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 10501216 | 113106 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm960133o | ||
| CHEMBL331424 | 113106 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.4 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 | 10.1021/jm960133o | ||
| 10713341 | 12923 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 357 | 3 | 1 | 3 | 3.9 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccnc1 | 10.1021/jm960133o | ||
| CHEMBL118933 | 12923 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 357 | 3 | 1 | 3 | 3.9 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cccnc1 | 10.1021/jm960133o | ||
| 10599369 | 114786 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL334082 | 114786 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 5 | 1 | 4 | 5.0 | COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(N(C)C)c3ccccc32)cc1 | 10.1021/jm960133o | ||
| 21837089 | 103783 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.3 | CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL309096 | 103783 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 451 | 5 | 1 | 4 | 5.3 | CCOc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 14969514 | 203289 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| CHEMBL64811 | 203289 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 368 | 2 | 0 | 2 | 3.9 | O=C(c1ccc(Cl)cc1)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1021/jm00066a010 | ||
| 10548205 | 12676 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL118760 | 12676 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 386 | 3 | 1 | 3 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)Oc1ccccc1 | 10.1021/jm960133o | ||
| 10075696 | 21509 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131650 | 21509 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 530 | 8 | 3 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C2 | 10.1021/jm00077a002 | ||
| 3793 | 203186 | 77 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 45039617 | 203186 | 77 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| CHEMBL64391 | 203186 | 77 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 9828129 | 116595 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL336825 | 116595 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 522 | 6 | 2 | 4 | 6.6 | O=C(O)C[C@@H]1CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc2S1 | 10.1016/j.bmcl.2003.08.051 | ||
| 44352783 | 116755 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL337725 | 116755 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 508 | 6 | 2 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CCC(CCO)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 23598598 | 4935 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL104839 | 4935 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 608 | 7 | 2 | 4 | 6.3 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCC3(C=C(C(=O)NCCN4CCCCC4)CC3)Cc3ccccc32)cc1 | 10.1016/j.bmcl.2004.04.016 | ||
| 54582950 | 63007 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| CHEMBL1788220 | 63007 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2004.04.016 | ||
| 56848555 | 151725 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 560 | 9 | 4 | 7 | 2.5 | NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| CHEMBL3964694 | 151725 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 560 | 9 | 4 | 7 | 2.5 | NC(=O)NC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1ccccc1Cl | nan | ||
| 9848300 | 120032 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 487 | 4 | 2 | 3 | 6.1 | O=C(Nc1ccc(C(=O)N2CCCC3C(=O)Nc4cccc2c43)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| CHEMBL350576 | 120032 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 487 | 4 | 2 | 3 | 6.1 | O=C(Nc1ccc(C(=O)N2CCCC3C(=O)Nc4cccc2c43)cc1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)01059-4 | ||
| 10743659 | 205679 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 6.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL82376 | 205679 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 6.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 44444762 | 154705 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399888 | 154705 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 612 | 8 | 2 | 4 | 6.6 | CN(C)CCNC(=O)C1=C[C@@]2(CC1)CCN(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)c1ccccc1C2 | 10.1016/j.bmcl.2007.09.059 | ||
| 11262100 | 61744 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 624 | 13 | 1 | 6 | 7.3 | CN(C)CCN(C)CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL177248 | 61744 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 624 | 13 | 1 | 6 | 7.3 | CN(C)CCN(C)CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 11422294 | 62276 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 636 | 8 | 1 | 6 | 6.6 | CN(C)C1CCN(C(=O)COc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL177885 | 62276 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 636 | 8 | 1 | 6 | 6.6 | CN(C)C1CCN(C(=O)COc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 86690917 | 150387 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 555 | 8 | 2 | 9 | 2.7 | NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| CHEMBL3953766 | 150387 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 555 | 8 | 2 | 9 | 2.7 | NC(=O)Cn1nc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@H](O)C(F)(F)F)c2=O)nc1-c1ccccc1Cl | nan | ||
| 18917553 | 101435 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 4 | 1 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(99)00279-6 | ||
| CHEMBL297705 | 101435 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 484 | 4 | 1 | 4 | 6.0 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(99)00279-6 | ||
| 10673699 | 106657 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 527 | 3 | 1 | 3 | 6.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F | 10.1021/jm980179c | ||
| CHEMBL314344 | 106657 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 527 | 3 | 1 | 3 | 6.8 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1cccc(C(F)(F)F)c1F | 10.1021/jm980179c | ||
| 10673295 | 104869 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| CHEMBL311230 | 104869 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 509 | 3 | 1 | 3 | 6.9 | O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Cl)c1)c1ccc(Cl)cc1Cl | 10.1021/jm980179c | ||
| 86690931 | 149005 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 543 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2cc(-c3cccc(Cl)c3Cl)ncn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3942564 | 149005 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 543 | 6 | 1 | 7 | 5.1 | O=c1n(Cc2cc(-c3cccc(Cl)c3Cl)ncn2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 71146879 | 146110 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 498 | 6 | 2 | 7 | 3.8 | O=c1n(Cc2nnc(-c3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| CHEMBL3919631 | 146110 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 498 | 6 | 2 | 7 | 3.8 | O=c1n(Cc2nnc(-c3ccccc3Cl)[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F | nan | ||
| 44378675 | 168614 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 671 | 6 | 1 | 5 | 7.4 | CN(C)C1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| CHEMBL436241 | 168614 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 671 | 6 | 1 | 5 | 7.4 | CN(C)C1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(NC(=O)c4ccccc4-c4ccccc4)cc2Cl)C3)CC1 | 10.1016/s0960-894x(00)00095-0 | ||
| 10569977 | 30947 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 2 | 0 | 3 | 4.5 | O=C(c1ccc(-n2cccn2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL139863 | 30947 | 1 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 2 | 0 | 3 | 4.5 | O=C(c1ccc(-n2cccn2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 3537 | 3973 | 22 | None | 3 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| 5311500 | 3973 | 22 | None | 3 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2005.10.107 | ||
| 11262100 | 61744 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 624 | 13 | 1 | 6 | 7.3 | CN(C)CCN(C)CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL177248 | 61744 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 624 | 13 | 1 | 6 | 7.3 | CN(C)CCN(C)CCCCOc1cc(C(=O)N2CCCCc3sccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 10626339 | 128623 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 543 | 6 | 1 | 4 | 7.7 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| CHEMBL366790 | 128623 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 543 | 6 | 1 | 4 | 7.7 | O=C(Nc1ccc(C(=O)N2CCCN(Cc3ccccc3)c3sccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm030287l | ||
| 10578000 | 168478 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 6.1 | CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm030287l | ||
| CHEMBL435331 | 168478 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 524 | 7 | 1 | 5 | 6.1 | CN(C)CCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccsc21 | 10.1021/jm030287l | ||
| 3537 | 3973 | 22 | None | 3 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| 5311500 | 3973 | 22 | None | 3 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 3 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1016/j.bmcl.2007.08.053 | ||
| 3793 | 203186 | 77 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 45039617 | 203186 | 77 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| CHEMBL64391 | 203186 | 77 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 704 | 11 | 0 | 12 | 5.6 | CCC(C)n1ncn(-c2ccc(N3CCN(c4ccc(OCC5COC(Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O | 10.1021/jm301749y | ||
| 14969540 | 100781 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL293184 | 100781 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 362 | 3 | 0 | 2 | 3.8 | CCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL2112249 | 209213 | 1 | None | - | 2 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 11764710 | 116413 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL336082 | 116413 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 638 | 11 | 4 | 6 | 2.3 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 5099582 | 110479 | 9 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 322 | 3 | 1 | 2 | 3.9 | CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL324935 | 110479 | 9 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 322 | 3 | 1 | 2 | 3.9 | CC(C)C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 | 10.1021/jm960133o | ||
| CHEMBL52813 | 215682 | 0 | None | -23 | 2 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/jm00099a019 | ||||
| 10741034 | 13904 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 | 10.1021/jm960133o | ||
| CHEMBL119651 | 13904 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 424 | 3 | 1 | 2 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cc(Cl)cc(Cl)c1 | 10.1021/jm960133o | ||
| 14969542 | 200529 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 4.6 | CCCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| CHEMBL59900 | 200529 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 390 | 5 | 0 | 2 | 4.6 | CCCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 | 10.1021/jm00066a010 | ||
| 44273417 | 99479 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL283317 | 99479 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 555 | 7 | 0 | 5 | 4.0 | CCN(CC)[C@H]1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10370127 | 18839 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 542 | 6 | 2 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CN1CC[C@H](N)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128228 | 18839 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 542 | 6 | 2 | 5 | 2.2 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CN1CC[C@H](N)C1=O)C2 | 10.1021/jm00077a002 | ||
| 44352796 | 21444 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 3 | 7.5 | O=C(Nc1ccc(C(=O)N2CCC(CCF)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| CHEMBL131566 | 21444 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 510 | 6 | 1 | 3 | 7.5 | O=C(Nc1ccc(C(=O)N2CCC(CCF)Sc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2003.08.051 | ||
| 15307967 | 102264 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL303376 | 102264 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 432 | 3 | 1 | 2 | 6.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2c3ccccc3CCc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 15307988 | 204339 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 3 | 1 | 3 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| CHEMBL71712 | 204339 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 3 | 1 | 3 | 6.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Sc3ccccc32)cc1 | 10.1016/s0960-894x(03)00388-3 | ||
| 10393977 | 168497 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 611 | 10 | 3 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCC(=O)O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| CHEMBL435409 | 168497 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 611 | 10 | 3 | 5 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)N(CCC(=O)O)CCc1c[nH]cn1)C2 | 10.1021/jm00077a002 | ||
| 44273459 | 73898 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 4 | 0 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C=CC1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20205 | 73898 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 482 | 4 | 0 | 4 | 3.4 | CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)C=CC1=O)C2 | 10.1016/0960-894X(94)00469-V | ||
| 10030575 | 22087 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| CHEMBL132210 | 22087 | 0 | None | - | 0 | Rat | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 554 | 5 | 2 | 4 | 3.9 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)NC1CN3CCC1CC3)C2 | 10.1021/jm00077a002 | ||
| 44273355 | 74918 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 8 | 0 | 6 | 3.9 | CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| CHEMBL20319 | 74918 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 8 | 0 | 6 | 3.9 | CN(C)CCSC1CC(=O)N([C@H]2CC3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)C1=O | 10.1016/0960-894X(94)00469-V | ||
| 10043741 | 118155 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm020133q | ||
| CHEMBL340893 | 118155 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm020133q | ||
| 56848489 | 144857 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.0 | CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| CHEMBL3909988 | 144857 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 637 | 11 | 3 | 8 | 4.0 | CCNC(=O)OCC(CNC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)c1cccc(C(F)(F)F)c1 | nan | ||
| 15307998 | 101070 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| CHEMBL295014 | 101070 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 438 | 3 | 1 | 3 | 6.1 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccsc3Cc3ccccc32)cc1 | 10.1016/s0960-894x(99)00278-4 | ||
| 10043741 | 118155 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| CHEMBL340893 | 118155 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 354 | 2 | 0 | 2 | 4.9 | O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 | 10.1021/jm000108p | ||
| 11158261 | 129624 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 692 | 12 | 1 | 6 | 8.1 | CCN(CC)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| CHEMBL367323 | 129624 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 692 | 12 | 1 | 6 | 8.1 | CCN(CC)C1CCN(C(=O)CCCOc2cc(C(=O)N3CCCCc4sccc43)ccc2NC(=O)c2ccccc2-c2ccccc2)CC1 | 10.1021/jm030287l | ||
| 44376291 | 97065 | 0 | None | - | 0 | Pig | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1115 | 19 | 14 | 17 | -4.8 | NC(=O)CC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/S0960-894X(97)00050-4 | ||
| CHEMBL267405 | 97065 | 0 | None | - | 0 | Pig | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 1115 | 19 | 14 | 17 | -4.8 | NC(=O)CC[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSSC[C@@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1016/S0960-894X(97)00050-4 | ||
| 9888109 | 74325 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL202447 | 74325 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 415 | 2 | 1 | 5 | 5.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL2112249 | 209213 | 1 | None | - | 2 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]cn2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00099a019 | ||||
| 11261339 | 154596 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| CHEMBL399289 | 154596 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 548 | 5 | 2 | 4 | 6.1 | COc1cc(C(=O)N2CCC3(C=C(C(=O)O)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl | 10.1016/j.bmcl.2007.09.059 | ||
| 44352371 | 21293 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 593 | 9 | 3 | 7 | 1.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL131388 | 21293 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 593 | 9 | 3 | 7 | 1.8 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CNC(=O)C(N)CCS(C)(=O)=O)C2 | 10.1021/jm00077a002 | ||
| 10345259 | 116931 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 4.5 | CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| CHEMBL338635 | 116931 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 484 | 4 | 0 | 3 | 4.5 | CC1CCC(=O)N1[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C | 10.1021/jm00077a002 | ||
| 9887157 | 73913 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 2 | 1 | 5 | 4.6 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| CHEMBL202106 | 73913 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 2 | 1 | 5 | 4.6 | Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(F)c2)n1 | 10.1016/j.bmcl.2005.10.107 | ||
| 10370697 | 118361 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| CHEMBL341049 | 118361 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 6 | 1 | 5 | 3.7 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](N1C(=O)CN(Cc3c[nH]cn3)C1=O)C2 | 10.1021/jm00077a002 | ||
| 10098332 | 22416 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| CHEMBL132496 | 22416 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 524 | 6 | 1 | 5 | 3.6 | Cn1cnc(CC(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 | 10.1021/jm00077a002 | ||
| 10599903 | 14538 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 456 | 4 | 3 | 3 | 4.7 | CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| CHEMBL120449 | 14538 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 456 | 4 | 3 | 3 | 4.7 | CNC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c2ccccc21 | 10.1021/jm960133o | ||
| 22405327 | 140251 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 409 | 3 | 0 | 4 | 5.3 | O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| CHEMBL380579 | 140251 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 409 | 3 | 0 | 4 | 5.3 | O=C(c1ccc(-c2ccccc2[N+](=O)[O-])cc1)N1Cc2cccn2Cc2ccccc21 | 10.1016/j.bmcl.2005.08.007 | ||
| 10435004 | 18856 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 473 | 6 | 2 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| CHEMBL128328 | 18856 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 473 | 6 | 2 | 4 | 3.0 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)CCN)C2 | 10.1021/jm00077a002 | ||
| 11070458 | 17755 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(C)NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2Cl)c2ccccc21 | 10.1021/jm020133q | ||
| CHEMBL125878 | 17755 | 1 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(C)NC(=O)C[C@@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2Cl)c2ccccc21 | 10.1021/jm020133q | ||
| 10642000 | 114365 | 9 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| CHEMBL333139 | 114365 | 9 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 356 | 3 | 1 | 2 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccccc1 | 10.1021/jm960133o | ||
| 71457081 | 82346 | 0 | None | 64 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482251 | 82346 | 0 | None | 64 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172289 | 82346 | 0 | None | 64 | 3 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 44386183 | 156070 | 0 | None | - | 1 | Bovine | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1013 | 18 | 12 | 14 | -3.5 | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00151a016 | ||
| CHEMBL406303 | 156070 | 0 | None | - | 1 | Bovine | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 1013 | 18 | 12 | 14 | -3.5 | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00151a016 | ||
| 2168 | 3945 | 38 | None | -4 | 9 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 2810 | 3945 | 38 | None | -4 | 9 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 644077 | 3945 | 38 | None | -4 | 9 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| CHEMBL373742 | 3945 | 38 | None | -4 | 9 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| DB00067 | 3945 | 38 | None | -4 | 9 | Rat | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/s0960-894x(99)00041-4 | ||||
| 2168 | 3945 | 38 | None | -7 | 9 | Bovine | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| 2810 | 3945 | 38 | None | -7 | 9 | Bovine | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| 644077 | 3945 | 38 | None | -7 | 9 | Bovine | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| CHEMBL373742 | 3945 | 38 | None | -7 | 9 | Bovine | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| DB00067 | 3945 | 38 | None | -7 | 9 | Bovine | 8.8 | pKd | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00028a008 | ||||
| CHEMBL265119 | 210613 | 0 | None | - | 1 | Bovine | 8.0 | pKd | = | 8 | Binding | ChEMBL | None | None | None | CN(CC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||||
| 71461726 | 79663 | 0 | None | -257 | 2 | Pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| CHEMBL2115369 | 79663 | 0 | None | -257 | 2 | Pig | 7.0 | pKd | = | 7 | Binding | ChEMBL | 1186 | 20 | 11 | 15 | 0.9 | COc1ccc(C[C@@H]2NC(=O)C3(CCCC3)CSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00079a020 | ||
| 118718752 | 115365 | 0 | None | -26 | 3 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350124 | 115365 | 0 | None | -26 | 3 | Rat | 6.0 | pKd | = | 6 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 71451749 | 82345 | 0 | None | 38 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1205 | 25 | 7 | 15 | 9.2 | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 | 10.1021/jm3006146 | ||
| CHEMBL2172288 | 82345 | 0 | None | 38 | 2 | Human | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | 1205 | 25 | 7 | 15 | 9.2 | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 | 10.1021/jm3006146 | ||
| CHEMBL413706 | 213059 | 0 | None | - | 1 | Bovine | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | None | None | None | C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||||
| 118718753 | 115367 | 0 | None | -43 | 3 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350126 | 115367 | 0 | None | -43 | 3 | Rat | 5.9 | pKd | = | 5.9 | Binding | ChEMBL | 1074 | 18 | 11 | 15 | -1.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 44320759 | 160751 | 0 | None | -8 | 2 | Bovine | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1036 | 22 | 12 | 15 | -4.4 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL411420 | 160751 | 0 | None | -8 | 2 | Bovine | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1036 | 22 | 12 | 15 | -4.4 | CCOc1ccc(C[C@@H]2NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| 136961687 | 118566 | 0 | None | -77 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1053 | 21 | 7 | 12 | 6.4 | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm501395b | ||
| CHEMBL3416749 | 118566 | 0 | None | -77 | 3 | Human | 6.9 | pKd | = | 6.9 | Binding | ChEMBL | 1053 | 21 | 7 | 12 | 6.4 | O=C(CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1)NCCNC(=O)CCc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1 | 10.1021/jm501395b | ||
| CHEMBL2370617 | 209864 | 0 | None | -3 | 3 | Rat | 7.8 | pKd | = | 7.8 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| 56678404 | 63300 | 0 | None | 1 | 2 | Bovine | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL1793955 | 63300 | 0 | None | 1 | 2 | Bovine | 6.7 | pKd | = | 6.7 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O | 10.1021/jm00028a008 | ||
| 71455302 | 82347 | 0 | None | 234 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482380 | 82347 | 0 | None | 234 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172290 | 82347 | 0 | None | 234 | 3 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71462477 | 82348 | 0 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482382 | 82348 | 0 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172291 | 82348 | 0 | None | - | 1 | Human | 8.6 | pKd | = | 8.6 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL269715 | 210779 | 0 | None | - | 1 | Bovine | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | None | None | None | C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||||
| 70693557 | 78327 | 0 | None | -6 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL2110163 | 78327 | 0 | None | -6 | 2 | Rat | 5.6 | pKd | = | 5.6 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 44320761 | 141442 | 0 | None | -1 | 2 | Bovine | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1110 | 20 | 13 | 15 | -3.2 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| CHEMBL384292 | 141442 | 0 | None | -1 | 2 | Bovine | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1110 | 20 | 13 | 15 | -3.2 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| 44321207 | 96815 | 0 | None | - | 1 | Bovine | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1110 | 20 | 13 | 15 | -3.2 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| CHEMBL265264 | 96815 | 0 | None | - | 1 | Bovine | 6.6 | pKd | = | 6.6 | Binding | ChEMBL | 1110 | 20 | 13 | 15 | -3.2 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| CHEMBL2370976 | 209949 | 10 | None | -3 | 3 | Rat | 7.6 | pKd | = | 7.6 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00010a020 | ||||
| 118718751 | 115364 | 0 | None | -213 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350123 | 115364 | 0 | None | -213 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1151 | 19 | 12 | 15 | -2.3 | CN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 44320718 | 168870 | 0 | None | -1 | 2 | Bovine | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1139 | 22 | 12 | 15 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL438387 | 168870 | 0 | None | -1 | 2 | Bovine | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1139 | 22 | 12 | 15 | -2.5 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| 44373714 | 96689 | 0 | None | 1 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1148 | 32 | 14 | 16 | -3.1 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL264208 | 96689 | 0 | None | 1 | 2 | Rat | 8.5 | pKd | = | 8.5 | Binding | ChEMBL | 1148 | 32 | 14 | 16 | -3.1 | CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)oc2cc(OC)ccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CS)C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O | 10.1016/s0960-894x(99)00041-4 | ||
| 136961688 | 118567 | 0 | None | -21 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1206 | 23 | 5 | 13 | 7.4 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416750 | 118567 | 0 | None | -21 | 3 | Human | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1206 | 23 | 5 | 13 | 7.4 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCNC(=O)CCc2ccc(S(=O)(=O)N(CC(=O)N/N=C3\C(=O)Nc4ccccc43)c3ccc(Cl)cc3)cc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 44321133 | 161811 | 0 | None | -38 | 2 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL414582 | 161811 | 0 | None | -38 | 2 | Bovine | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1060 | 20 | 12 | 14 | -3.1 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| 118718383 | 115319 | 0 | None | -173 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349464 | 115319 | 0 | None | -173 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1000 | 14 | 11 | 13 | 0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2cc3ccccc3[nH]2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 118718384 | 115320 | 0 | None | -154 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349465 | 115320 | 0 | None | -154 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 1154 | 18 | 12 | 16 | -0.4 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 10463677 | 115323 | 1 | None | -363 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349468 | 115323 | 1 | None | -363 | 3 | Rat | 5.5 | pKd | = | 5.5 | Binding | ChEMBL | 991 | 15 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 44386245 | 168781 | 0 | None | - | 1 | Bovine | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1027 | 18 | 12 | 14 | -3.1 | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00151a016 | ||
| CHEMBL437631 | 168781 | 0 | None | - | 1 | Bovine | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1027 | 18 | 12 | 14 | -3.1 | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00151a016 | ||
| 44321188 | 161882 | 0 | None | -1 | 2 | Bovine | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1105 | 22 | 12 | 15 | -2.7 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| CHEMBL415230 | 161882 | 0 | None | -1 | 2 | Bovine | 7.5 | pKd | = | 7.5 | Binding | ChEMBL | 1105 | 22 | 12 | 15 | -2.7 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00028a008 | ||
| 145947801 | 167689 | 0 | None | -190 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1381 | 42 | 2 | 22 | 7.7 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416754 | 167689 | 0 | None | -190 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1381 | 42 | 2 | 22 | 7.7 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL4302530 | 167689 | 0 | None | -190 | 2 | Human | 6.5 | pKd | = | 6.5 | Binding | ChEMBL | 1381 | 42 | 2 | 22 | 7.7 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 118718386 | 115322 | 0 | None | -186 | 3 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3349467 | 115322 | 0 | None | -186 | 3 | Rat | 5.4 | pKd | = | 5.4 | Binding | ChEMBL | 991 | 14 | 10 | 14 | -0.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC1=O | 10.1021/jm00010a020 | ||
| 44373744 | 51143 | 0 | None | -52 | 2 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 993 | 20 | 12 | 14 | -4.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL157988 | 51143 | 0 | None | -52 | 2 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 993 | 20 | 12 | 14 | -4.2 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 44320760 | 206362 | 0 | None | -52 | 2 | Bovine | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 992 | 20 | 12 | 14 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL87636 | 206362 | 0 | None | -52 | 2 | Bovine | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | 992 | 20 | 12 | 14 | -4.8 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL410025 | 212773 | 0 | None | - | 1 | Bovine | 7.4 | pKd | = | 7.4 | Binding | ChEMBL | None | None | None | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||||
| 118718749 | 115362 | 0 | None | -5 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| CHEMBL3350119 | 115362 | 0 | None | -5 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1136 | 18 | 11 | 14 | -0.5 | CCN1C(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1Cc1ccc(O)cc1 | 10.1021/jm00010a020 | ||
| 44373715 | 155677 | 0 | None | -131 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 1031 | 20 | 13 | 14 | -4.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL405165 | 155677 | 0 | None | -131 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 1031 | 20 | 13 | 14 | -4.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 145947419 | 167633 | 0 | None | -323 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1204 | 30 | 2 | 18 | 7.6 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL3416753 | 167633 | 0 | None | -323 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1204 | 30 | 2 | 18 | 7.6 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| CHEMBL4301807 | 167633 | 0 | None | -323 | 2 | Human | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | 1204 | 30 | 2 | 18 | 7.6 | CCN1/C(=C\C=C\C=C\C2=[N+](CC)c3cc(S(=O)(=O)[O-])ccc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCc2nnc(N3CC(Oc4ccc(F)cc4Cl)C3)n2-c2ccc(OC)nc2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm501395b | ||
| 44385836 | 160674 | 0 | None | - | 1 | Bovine | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1056 | 20 | 13 | 15 | -4.5 | C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||
| CHEMBL411357 | 160674 | 0 | None | - | 1 | Bovine | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1056 | 20 | 13 | 15 | -4.5 | C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)N(C)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||
| 70693566 | 78341 | 0 | None | -2 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| CHEMBL2110297 | 78341 | 0 | None | -2 | 2 | Rat | 5.3 | pKd | = | 5.3 | Binding | ChEMBL | 1018 | 18 | 12 | 14 | -4.5 | CC[C@H](C)[C@H]1NC(=O)[C@]2(CCc3ccccc3C2)NC(=O)CCSSC[C@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1016/s0960-894x(99)00041-4 | ||
| 10011419 | 115366 | 0 | None | -2 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL3350125 | 115366 | 0 | None | -2 | 3 | Rat | 7.3 | pKd | = | 7.3 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 44294474 | 96983 | 0 | None | 1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| CHEMBL266643 | 96983 | 0 | None | 1 | 3 | Rat | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1092 | 17 | 11 | 13 | -1.0 | CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(CCCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm00010a020 | ||
| 44386247 | 161660 | 0 | None | - | 1 | Bovine | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1042 | 20 | 13 | 15 | -4.9 | CN(CC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||
| CHEMBL413249 | 161660 | 0 | None | - | 1 | Bovine | 8.1 | pKd | = | 8.1 | Binding | ChEMBL | 1042 | 20 | 13 | 15 | -4.9 | CN(CC(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00151a016 | ||
| 44321134 | 112535 | 0 | None | -45 | 2 | Bovine | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 963 | 16 | 9 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL330022 | 112535 | 0 | None | -45 | 2 | Bovine | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | 963 | 16 | 9 | 14 | -3.3 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@H]2C(=O)N(C)CC(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O | 10.1021/jm00028a008 | ||
| CHEMBL217517 | 209353 | 0 | None | - | 1 | Bovine | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)N(C)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00151a016 | ||||
| CHEMBL2371674 | 210084 | 0 | None | - | 1 | Bovine | 8.0 | pKd | = | 8.0 | Binding | ChEMBL | None | None | None | CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00151a016 | ||||
| 44321206 | 96774 | 0 | None | -13 | 2 | Bovine | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1094 | 20 | 12 | 14 | -2.9 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| CHEMBL265017 | 96774 | 0 | None | -13 | 2 | Bovine | 7.0 | pKd | = | 7.0 | Binding | ChEMBL | 1094 | 20 | 12 | 14 | -2.9 | CN(CC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)C(=O)[C@@H]1CSSC2(CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm00028a008 | ||
| 44419039 | 137371 | 0 | None | -1 | 8 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL375324 | 137371 | 0 | None | -1 | 8 | Rat | 9.7 | pKi | = | 9.7 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| 44419026 | 168475 | 17 | None | 1230 | 2 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL435323 | 168475 | 17 | None | 1230 | 2 | Rat | 9.6 | pKi | = | 9.6 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 2181 | 1319 | 42 | None | 6 | 7 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2182 | 1319 | 42 | None | 6 | 7 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 27991 | 1319 | 42 | None | 6 | 7 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL1429 | 1319 | 42 | None | 6 | 7 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL264448 | 1319 | 42 | None | 6 | 7 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00035 | 1319 | 42 | None | 6 | 7 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 44419025 | 84267 | 0 | None | -1 | 8 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL221436 | 84267 | 0 | None | -1 | 8 | Rat | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 151171 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 216322 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 2203 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 732 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1755 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| DB00872 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44520886 | 188795 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 628 | 7 | 2 | 4 | 7.4 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL506235 | 188795 | 0 | None | - | 1 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 628 | 7 | 2 | 4 | 7.4 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 216237 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| 2226 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| 4110 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| CHEMBL344159 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| 2168 | 3945 | 38 | None | -4 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 2810 | 3945 | 38 | None | -4 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| 644077 | 3945 | 38 | None | -4 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL373742 | 3945 | 38 | None | -4 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| DB00067 | 3945 | 38 | None | -4 | 9 | Rat | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm060928n | ||||
| CHEMBL2371605 | 210082 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||||
| 10411308 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL603708 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 10411308 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| CHEMBL603708 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| 10411308 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL603708 | 201211 | 0 | None | 2 | 3 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 135413562 | 2193 | 15 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| 2194 | 2193 | 15 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| CHEMBL445816 | 2193 | 15 | None | -1 | 5 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 624 | 14 | 3 | 7 | 1.1 | CN(CCCNC(=O)CCc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)Cl)CC(=O)NNC1=c2ccccc2=NC1=O)C | 10.1021/jm901812z | ||
| CHEMBL2371604 | 210081 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||||
| 2205 | 4092 | 6 | None | -3 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 9810140 | 4092 | 6 | None | -3 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| CHEMBL307483 | 4092 | 6 | None | -3 | 5 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 16051933 | 138105 | 4 | None | -3 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL376685 | 138105 | 4 | None | -3 | 8 | Rat | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 71462477 | 82348 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482382 | 82348 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172291 | 82348 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 2198 | 3394 | 2 | None | 46 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 9807249 | 3394 | 2 | None | 46 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1192593 | 3394 | 2 | None | 46 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44382498 | 96464 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1093 | 17 | 10 | 13 | 0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| CHEMBL262482 | 96464 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1093 | 17 | 10 | 13 | 0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| 44375638 | 168824 | 0 | None | 6 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| CHEMBL438014 | 168824 | 0 | None | 6 | 2 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| CHEMBL3084974 | 210963 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||||
| 216237 | 3814 | 89 | None | 2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 2226 | 3814 | 89 | None | 2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 4110 | 3814 | 89 | None | 2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL344159 | 3814 | 89 | None | 2 | 5 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.1c00863 | ||
| 44382370 | 141525 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| CHEMBL384776 | 141525 | 0 | None | 3 | 2 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| 2205 | 4092 | 6 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 9810140 | 4092 | 6 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| CHEMBL307483 | 4092 | 6 | None | -3 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1021/jm010544r | ||
| 2205 | 4092 | 6 | None | -3 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1016/s0960-894x(01)00723-5 | ||
| 9810140 | 4092 | 6 | None | -3 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL307483 | 4092 | 6 | None | -3 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 10.1016/s0960-894x(01)00723-5 | ||
| 44419025 | 84267 | 0 | None | -4 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL221436 | 84267 | 0 | None | -4 | 8 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 1039 | 17 | 13 | 14 | -2.7 | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm1016208 | ||||
| CHEMBL408474 | 212692 | 0 | None | - | 1 | Pig | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(=O)O | 10.1021/jm00150a003 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 44325703 | 111376 | 0 | None | 75 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327242 | 111376 | 0 | None | 75 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(O)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm3006146 | ||||
| CHEMBL2369831 | 209675 | 1 | None | -1 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 44351500 | 117451 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 995 | 16 | 10 | 12 | 0.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL339943 | 117451 | 0 | None | 1 | 2 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 995 | 16 | 10 | 12 | 0.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44297505 | 165833 | 0 | None | -7 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL424905 | 165833 | 0 | None | -7 | 3 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 216237 | 3814 | 89 | None | 2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| 2226 | 3814 | 89 | None | 2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| 4110 | 3814 | 89 | None | 2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL344159 | 3814 | 89 | None | 2 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00011 | ||
| 16109443 | 141694 | 0 | None | -9 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1040 | 18 | 14 | 15 | -4.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL385739 | 141694 | 0 | None | -9 | 4 | Rat | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1040 | 18 | 14 | 15 | -4.0 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44325362 | 207321 | 0 | None | 354 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93603 | 207321 | 0 | None | 354 | 2 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 71455302 | 82347 | 0 | None | 234 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482380 | 82347 | 0 | None | 234 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172290 | 82347 | 0 | None | 234 | 3 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 44520857 | 179438 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 562 | 5 | 2 | 6 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL474072 | 179438 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 562 | 5 | 2 | 6 | 5.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 167184780 | 191157 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 7.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCc3ccncc3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5189068 | 191157 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 566 | 8 | 2 | 4 | 7.3 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCc3ccncc3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 168295452 | 192346 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 10 | 1 | 4 | 7.2 | CCN(CC)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5207405 | 192346 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 560 | 10 | 1 | 4 | 7.2 | CCN(CC)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL2370641 | 209881 | 0 | None | -1 | 2 | Pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| CHEMBL2371440 | 210023 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00399a009 | ||||
| 44325732 | 165402 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc21 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL423868 | 165402 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc21 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325543 | 207262 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3cccc(Cl)c32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93195 | 207262 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3cccc(Cl)c32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325731 | 207265 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(F)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93205 | 207265 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(F)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44297449 | 169236 | 0 | None | -22 | 3 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL441195 | 169236 | 0 | None | -22 | 3 | Rat | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 145976546 | 163616 | 0 | None | 7 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 381 | 2 | 1 | 4 | 4.3 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204008 | 163616 | 0 | None | 7 | 2 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 381 | 2 | 1 | 4 | 4.3 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44419030 | 161590 | 19 | None | -630 | 4 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1025 | 18 | 11 | 14 | -1.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL412972 | 161590 | 19 | None | -630 | 4 | Rat | 7.0 | pKi | = | 7 | Binding | ChEMBL | 1025 | 18 | 11 | 14 | -1.5 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 10303620 | 206253 | 0 | None | -954 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| CHEMBL86949 | 206253 | 0 | None | -954 | 4 | Rat | 6.0 | pKi | = | 6 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| 11092056 | 107011 | 0 | None | -354 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 481 | 9 | 0 | 6 | 5.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL315524 | 107011 | 0 | None | -354 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 481 | 9 | 0 | 6 | 5.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 44321415 | 112288 | 0 | None | -269 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 467 | 8 | 0 | 6 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL329209 | 112288 | 0 | None | -269 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 467 | 8 | 0 | 6 | 4.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 46890484 | 6997 | 0 | None | -93 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084822 | 6997 | 0 | None | -93 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 16109439 | 137217 | 0 | None | -104 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1023 | 15 | 11 | 14 | -1.7 | NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL375187 | 137217 | 0 | None | -104 | 5 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1023 | 15 | 11 | 14 | -1.7 | NC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 46890486 | 6999 | 0 | None | -28 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084824 | 6999 | 0 | None | -28 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL2369847 | 209686 | 0 | None | -112 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 46890528 | 7000 | 0 | None | -199 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084825 | 7000 | 0 | None | -199 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 168294940 | 192363 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1Br | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5207597 | 192363 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 576 | 7 | 1 | 5 | 5.3 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1Br | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5081323 | 214720 | 0 | None | -2691 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | Cc1ccc2c(c1)CC(O)Cc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||||
| CHEMBL2369835 | 209677 | 0 | None | -7 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 44520864 | 172613 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 6.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5s4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL449517 | 172613 | 0 | None | 5 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 603 | 5 | 1 | 6 | 6.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5s4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520858 | 174394 | 0 | None | 4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 590 | 6 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N(C)C)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL455279 | 174394 | 0 | None | 4 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 590 | 6 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(N(C)C)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520863 | 181832 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 553 | 5 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nccs4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL477868 | 181832 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 553 | 5 | 1 | 6 | 5.7 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nccs4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520862 | 189582 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL514772 | 189582 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520871 | 192589 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 3.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL521597 | 192589 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 513 | 5 | 2 | 5 | 3.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520875 | 12442 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 6 | 1 | 5 | 7.0 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(-c4ccccc4)n3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186237 | 12442 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 6 | 1 | 5 | 7.0 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(-c4ccccc4)n3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL455418 | 12442 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 609 | 6 | 1 | 5 | 7.0 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(-c4ccccc4)n3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 44520883 | 12663 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 564 | 5 | 1 | 4 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1187505 | 12663 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 564 | 5 | 1 | 4 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL505517 | 12663 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 564 | 5 | 1 | 4 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 164946750 | 190102 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 8 | 2 | 5 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5173331 | 190102 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 574 | 8 | 2 | 5 | 6.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 44351384 | 116971 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 980 | 18 | 10 | 13 | 2.2 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCCNC(N)C=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL338798 | 116971 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 980 | 18 | 10 | 13 | 2.2 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCCNC(N)C=N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44351279 | 161419 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1055 | 14 | 8 | 12 | 3.1 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCc3cccc(CN)c3)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL412732 | 161419 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1055 | 14 | 8 | 12 | 3.1 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCc3cccc(CN)c3)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44325689 | 206837 | 0 | None | 44 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL90657 | 206837 | 0 | None | 44 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325505 | 207420 | 0 | None | 562 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL94133 | 207420 | 0 | None | 562 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1790551 | 208877 | 0 | None | -229 | 2 | Rat | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 44361403 | 33815 | 1 | None | -457 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| CHEMBL142324 | 33815 | 1 | None | -457 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 491 | 5 | 0 | 5 | 4.1 | CC(=O)N1CCCC(COc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)C1 | 10.1021/jm00023a002 | ||
| 44361387 | 119388 | 0 | None | -724 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL344752 | 119388 | 0 | None | -724 | 5 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 505 | 6 | 0 | 5 | 4.6 | CC(=O)N1CCCCC1CCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 10863737 | 206607 | 0 | None | -1202 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 11 | 0 | 6 | 6.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCn1ccnc1 | 10.1021/jm010544r | ||
| CHEMBL89177 | 206607 | 0 | None | -1202 | 2 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 477 | 11 | 0 | 6 | 6.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCn1ccnc1 | 10.1021/jm010544r | ||
| CHEMBL2369837 | 209679 | 0 | None | -6165 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | None | None | None | NCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 11366713 | 137197 | 0 | None | -2511 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL375096 | 137197 | 0 | None | -2511 | 8 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 145974638 | 164570 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 3.7 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4215696 | 164570 | 0 | None | -7 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 347 | 2 | 1 | 4 | 3.7 | Cc1ccn(-c2ccc(C(=O)N3CCCC(O)c4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL2369830 | 209674 | 0 | None | -275 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 46890572 | 7326 | 0 | None | -1148 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.8 | CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086294 | 7326 | 0 | None | -1148 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 4.8 | CNC(=O)c1cccc(-c2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2OC)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 10208389 | 78602 | 0 | None | -8128 | 4 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL2112339 | 78602 | 0 | None | -8128 | 4 | Rat | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 44520865 | 189101 | 0 | None | 6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 5 | 2 | 5 | 6.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5[nH]4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL510500 | 189101 | 0 | None | 6 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 586 | 5 | 2 | 5 | 6.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4nc5ccccc5[nH]4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 167183380 | 190550 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCN(C)CC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5180200 | 190550 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 5.9 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCN(C)CC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 10674616 | 191411 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 572 | 8 | 1 | 4 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCCCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5192961 | 191411 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 572 | 8 | 1 | 4 | 7.3 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCCCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 168290973 | 191855 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 588 | 8 | 1 | 5 | 6.5 | Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc21 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5199628 | 191855 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 588 | 8 | 1 | 5 | 6.5 | Cc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc21 | 10.1021/acs.jmedchem.2c00567 | ||
| 44294575 | 82085 | 0 | None | - | 1 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL216606 | 82085 | 0 | None | - | 1 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 44294542 | 96454 | 0 | None | - | 1 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL262423 | 96454 | 0 | None | - | 1 | Pig | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 71460754 | 82358 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1141 | 17 | 2 | 11 | 9.7 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N4CCN(CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7-c7ccccc7)cc6)c6ccccc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172392 | 82358 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1141 | 17 | 2 | 11 | 9.7 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)N4CCN(CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7-c7ccccc7)cc6)c6ccccc65)CC4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| 44419028 | 96880 | 17 | None | -10 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| CHEMBL265858 | 96880 | 17 | None | -10 | 8 | Rat | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm060928n | ||
| 10615 | 570 | 32 | None | -1288249 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| 46200932 | 570 | 32 | None | -1288249 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL4297183 | 570 | 32 | None | -1288249 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| DB14823 | 570 | 32 | None | -1288249 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 10.1021/acs.jmedchem.1c00863 | ||
| 46890529 | 6703 | 0 | None | -47 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083730 | 6703 | 0 | None | -47 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(-c2ccccc2C)c(Cl)cc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 145976648 | 163819 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.6 | CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4206482 | 163819 | 0 | None | -1 | 3 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 293 | 3 | 0 | 1 | 4.6 | CCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 46890152 | 6721 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083765 | 6721 | 0 | None | -3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 10164478 | 206662 | 0 | None | -1174 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL89552 | 206662 | 0 | None | -1174 | 4 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 118734336 | 118574 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416770 | 118574 | 0 | None | -1 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 11569194 | 72078 | 0 | None | -316 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm901812z | ||
| CHEMBL197793 | 72078 | 0 | None | -316 | 2 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 479 | 7 | 2 | 3 | 3.5 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc(F)cc1 | 10.1021/jm901812z | ||
| 25212177 | 174805 | 10 | None | -2818 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| CHEMBL456263 | 174805 | 10 | None | -2818 | 4 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 463 | 7 | 0 | 7 | 3.9 | COc1ccc(N(Cc2ccc(-c3ccccc3C)cn2)S(=O)(=O)c2cn(C)c(C)n2)cn1 | 10.1016/j.bmcl.2008.11.018 | ||
| 44520849 | 201690 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL606464 | 201690 | 0 | None | -1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 168289573 | 191815 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 572 | 8 | 2 | 4 | 7.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCCCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5198918 | 191815 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 572 | 8 | 2 | 4 | 7.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCN3CCCCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 168286187 | 191464 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 6.1 | CN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5193621 | 191464 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 587 | 8 | 1 | 5 | 6.1 | CN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| 44335329 | 167814 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL430841 | 167814 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 561 | 4 | 1 | 3 | 7.6 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@@H]4C5CCC(C5)N4Cc4cc(Cl)ccc43)cc2)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 44325704 | 112280 | 0 | None | 64 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329141 | 112280 | 0 | None | 64 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc(O)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44316235 | 160404 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1011 | 16 | 12 | 14 | -3.6 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL411148 | 160404 | 0 | None | -2 | 4 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1011 | 16 | 12 | 14 | -3.6 | C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 9938406 | 93288 | 1 | None | -181 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24526 | 93288 | 1 | None | -181 | 6 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| 46890101 | 7271 | 0 | None | -181 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086070 | 7271 | 0 | None | -181 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2cccnc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 53349471 | 118577 | 0 | None | -22 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416774 | 118577 | 0 | None | -22 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 44351328 | 19360 | 0 | None | - | 1 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 909 | 10 | 7 | 11 | 2.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL129274 | 19360 | 0 | None | - | 1 | Pig | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 909 | 10 | 7 | 11 | 2.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44419039 | 137371 | 0 | None | -1023 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL375324 | 137371 | 0 | None | -1023 | 8 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1096 | 20 | 14 | 15 | -4.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 46890187 | 7222 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085851 | 7222 | 0 | None | 3 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 168272611 | 190362 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 8 | 1 | 5 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(-c2ccccc2)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5177490 | 190362 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 574 | 8 | 1 | 5 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(-c2ccccc2)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 44314081 | 204944 | 0 | None | -2 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2cccc(C(=O)N3CCC(N4CCCCC4)CC3)c2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL76498 | 204944 | 0 | None | -2 | 2 | Rat | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2cccc(C(=O)N3CCC(N4CCCCC4)CC3)c2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 44275104 | 97258 | 0 | None | -1737 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1127 | 32 | 14 | 14 | -3.9 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL269012 | 97258 | 0 | None | -1737 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1127 | 32 | 14 | 14 | -3.9 | CN(C(=O)Cc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL2369836 | 209678 | 0 | None | -2630 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 44520860 | 179596 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cnccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL474274 | 179596 | 0 | None | 4 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cnccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520880 | 12545 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.0 | CC1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186825 | 12545 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.0 | CC1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL479918 | 12545 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.0 | CC1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| 44520882 | 12549 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186831 | 12549 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL480104 | 12549 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 44520852 | 199685 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL593325 | 199685 | 0 | None | 3 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 44520851 | 199776 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594026 | 199776 | 0 | None | 1 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 5 | 2 | 4 | 4.4 | C[C@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 71453576 | 82351 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1357 | 31 | 4 | 17 | 9.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)nn3)c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172294 | 82351 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1357 | 31 | 4 | 17 | 9.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)nn3)c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| 71462477 | 82348 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482382 | 82348 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172291 | 82348 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 1573 | 42 | 5 | 20 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 56665480 | 63178 | 0 | None | -91 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 754 | 6 | 2 | 8 | 3.5 | CC[C@@H](C)[C@@H]1/N=C(\S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| CHEMBL1790544 | 63178 | 0 | None | -91 | 2 | Rat | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 754 | 6 | 2 | 8 | 3.5 | CC[C@@H](C)[C@@H]1/N=C(\S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| 137637867 | 156197 | 0 | None | -50 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4064556 | 156197 | 0 | None | -50 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 70685417 | 73620 | 0 | None | -831 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017867 | 73620 | 0 | None | -831 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C/I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 10929819 | 106917 | 0 | None | -371 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 565 | 15 | 0 | 6 | 7.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL314908 | 106917 | 0 | None | -371 | 2 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 565 | 15 | 0 | 6 | 7.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 10208389 | 78602 | 0 | None | -10000 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL2112339 | 78602 | 0 | None | -10000 | 4 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 523 | 11 | 0 | 6 | 6.4 | Cc1cccc(OCCCCCCN2CCN(C)CC2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 46890707 | 6695 | 0 | None | -19 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083703 | 6695 | 0 | None | -19 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 419 | 3 | 0 | 3 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1csc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 9807250 | 78318 | 0 | None | 58 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2093899 | 78318 | 0 | None | 58 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL2110044 | 78318 | 0 | None | 58 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.1 | O=C(Nc1ccc(C(=O)N2C[C@@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325733 | 207266 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 549 | 5 | 1 | 5 | 6.2 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc21 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93209 | 207266 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 549 | 5 | 1 | 5 | 6.2 | COc1cc(NC(=O)c2ccccc2-c2ccccc2)ccc1C(=O)N1CC2CSCCN2Cc2ccccc21 | 10.1016/j.bmcl.2004.03.083 | ||
| 9938406 | 93288 | 1 | None | -213 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24526 | 93288 | 1 | None | -213 | 6 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 589 | 7 | 0 | 6 | 4.7 | CC(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)c(OCC(F)(F)F)c2)CC1 | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL1790548 | 208875 | 0 | None | -50 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O | 10.1021/jm00171a003 | ||||
| CHEMBL1790548 | 208875 | 0 | None | -50 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCNN2C(=O)[C@H]2CCCNN2C1=O | 10.1021/jm00171a003 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm501395b | ||||
| 54585227 | 61157 | 0 | None | -912 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1042 | 18 | 12 | 15 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765669 | 61157 | 0 | None | -912 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1042 | 18 | 12 | 15 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 44520856 | 189003 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 6 | 1 | 6 | 5.6 | COc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL509183 | 189003 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 577 | 6 | 1 | 6 | 5.6 | COc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520881 | 12546 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186826 | 12546 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL479919 | 12546 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 550 | 5 | 1 | 4 | 6.1 | CC1CCCN1c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| 44520850 | 199841 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594488 | 199841 | 0 | None | 2 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 537 | 5 | 2 | 4 | 4.7 | C[C@@H]1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)C1 | 10.1016/j.bmc.2009.10.038 | ||
| 71455306 | 82359 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1204 | 26 | 3 | 13 | 9.7 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172393 | 82359 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 1204 | 26 | 3 | 13 | 9.7 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| 132822146 | 157216 | 0 | None | -23 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4076436 | 157216 | 0 | None | -23 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 47177173 | 164418 | 1 | None | -3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(I)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4213812 | 164418 | 1 | None | -3 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 377 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(I)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 44335356 | 5193 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL106229 | 5193 | 0 | None | 5 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 385 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCNc3ccccc32)cc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL1790542 | 208871 | 0 | None | -346 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| CHEMBL339118 | 211594 | 0 | None | -19 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 44297525 | 96780 | 0 | None | -120226 | 3 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL265048 | 96780 | 0 | None | -120226 | 3 | Rat | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 1329 | 38 | 15 | 16 | -1.8 | CN(C(=O)CCc1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 10444 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 139030525 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 145711714 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4204210 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 10.1021/acs.jmedchem.8b00697 | ||
| 53239961 | 66589 | 0 | None | -2 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 491 | 2 | 3 | 5 | 5.1 | Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL1794053 | 66589 | 0 | None | -2 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 491 | 2 | 3 | 5 | 5.1 | Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL1852697 | 66589 | 0 | None | -2 | 2 | Rat | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 491 | 2 | 3 | 5 | 5.1 | Nc1nc(-c2ccc3c(c2)C(=Cc2cc(Br)c(O)c(Br)c2)C(=O)N3)cs1 | 10.1016/s0960-894x(01)00723-5 | ||
| 44325377 | 111561 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328227 | 111561 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2)c(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 132822145 | 159518 | 0 | None | -26 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4102459 | 159518 | 0 | None | -26 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 44520885 | 12418 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 5 | 1 | 5 | 4.9 | CN1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)CC1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186071 | 12418 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 5 | 1 | 5 | 4.9 | CN1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)CC1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL448269 | 12418 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 565 | 5 | 1 | 5 | 4.9 | CN1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)CC1 | 10.1016/j.bmc.2008.09.039 | ||
| 46890154 | 6819 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 2 | 0 | 2 | 7.3 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084070 | 6819 | 0 | None | -3 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 423 | 2 | 0 | 2 | 7.3 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890214 | 7064 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 2 | 0 | 1 | 7.2 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085123 | 7064 | 0 | None | -1 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 417 | 2 | 0 | 1 | 7.2 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 2200 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 3482 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 60943 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| CHEMBL419667 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| DB13929 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 10164478 | 206662 | 0 | None | -1698 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL89552 | 206662 | 0 | None | -1698 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 509 | 11 | 0 | 6 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 137648906 | 157358 | 0 | None | -22 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4078185 | 157358 | 0 | None | -22 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 44520868 | 182004 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 5 | 1 | 4 | 5.4 | CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(C)n3)cc2Cl)CCC1(F)F | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478083 | 182004 | 0 | None | -1 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 498 | 5 | 1 | 4 | 5.4 | CCCNC(=O)/C=C1/c2ccccc2N(C(=O)c2ccc(-n3ccc(C)n3)cc2Cl)CCC1(F)F | 10.1016/j.bmc.2009.03.001 | ||
| 44520874 | 12645 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 575 | 6 | 1 | 5 | 6.4 | CC(C)c1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1187362 | 12645 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 575 | 6 | 1 | 5 | 6.4 | CC(C)c1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL500371 | 12645 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 575 | 6 | 1 | 5 | 6.4 | CC(C)c1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| 168277203 | 190615 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 588 | 8 | 1 | 5 | 6.5 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCN(CCCN4CCOCC4)c4ccccc43)cc2)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5181318 | 190615 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 588 | 8 | 1 | 5 | 6.5 | Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCCN(CCCN4CCOCC4)c4ccccc43)cc2)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 44325545 | 207105 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccc(F)c(F)c32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL92187 | 207105 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 555 | 4 | 1 | 4 | 6.5 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccc(F)c(F)c32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44335386 | 107983 | 0 | None | 14 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL319433 | 107983 | 0 | None | 14 | 2 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 489 | 3 | 1 | 3 | 5.7 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1F | 10.1016/s0960-894x(02)00649-2 | ||
| 57519948 | 73622 | 4 | None | -190 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2017869 | 73622 | 4 | None | -190 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 118734334 | 118571 | 0 | None | -10 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416767 | 118571 | 0 | None | -10 | 2 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 57519948 | 73622 | 4 | None | -190 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017869 | 73622 | 4 | None | -190 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 587 | 9 | 0 | 6 | 3.4 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OCCF)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL52176 | 215575 | 0 | None | -229 | 2 | Rat | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 10483105 | 90651 | 1 | None | -34 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL2391300 | 90651 | 1 | None | -34 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 568 | 10 | 2 | 7 | 1.8 | CN[C@@H](CCS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(c3ccccc3C)CC1)C2(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 46890614 | 6641 | 0 | None | -416 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 397 | 3 | 0 | 2 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083443 | 6641 | 0 | None | -416 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 397 | 3 | 0 | 2 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 118734334 | 118571 | 0 | None | -10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416767 | 118571 | 0 | None | -10 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 10304617 | 206204 | 0 | None | -1819 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86667 | 206204 | 0 | None | -1819 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 71451750 | 82349 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc54)nn3)c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172292 | 82349 | 0 | None | 1 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)NCCOCCOCCOCCn3cc(CNC(=O)CCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6C)cc5)c5ccccc54)nn3)c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| 46890569 | 7265 | 0 | None | -74 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 439 | 4 | 0 | 2 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086052 | 7265 | 0 | None | -74 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 439 | 4 | 0 | 2 | 7.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890099 | 7269 | 0 | None | -331 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086068 | 7269 | 0 | None | -331 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44520854 | 191909 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 546 | 5 | 1 | 4 | 6.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL520040 | 191909 | 0 | None | 2 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 546 | 5 | 1 | 4 | 6.2 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 9959174 | 194464 | 0 | None | -3 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL487164 | 194464 | 0 | None | -3 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL528996 | 194464 | 0 | None | -3 | 3 | Rat | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| 44294532 | 155740 | 0 | None | - | 1 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 910 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL405818 | 155740 | 0 | None | - | 1 | Pig | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 910 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 10304617 | 206204 | 0 | None | -1905 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86667 | 206204 | 0 | None | -1905 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 625 | 8 | 0 | 6 | 7.9 | Cc1cccc(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL2369829 | 209673 | 0 | None | -1 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/j.bmcl.2004.03.083 | ||
| 216237 | 3814 | 89 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| 2226 | 3814 | 89 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| 4110 | 3814 | 89 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL344159 | 3814 | 89 | None | 2 | 5 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 10.1021/acs.jmedchem.2c00567 | ||
| 11740743 | 14076 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| CHEMBL119793 | 14076 | 0 | None | 1 | 3 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| 44325345 | 111535 | 0 | None | 75 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328079 | 111535 | 0 | None | 75 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 493 | 3 | 1 | 4 | 4.9 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325607 | 112129 | 0 | None | 660 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329026 | 112129 | 0 | None | 660 | 2 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44351500 | 117451 | 0 | None | -1 | 2 | Pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 995 | 16 | 10 | 12 | 0.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL339943 | 117451 | 0 | None | -1 | 2 | Pig | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 995 | 16 | 10 | 12 | 0.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44520853 | 185495 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL486268 | 185495 | 0 | None | -1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccncc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520878 | 12417 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 583 | 5 | 1 | 5 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cc4ccccc4n3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186070 | 12417 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 583 | 5 | 1 | 5 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cc4ccccc4n3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL448195 | 12417 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 583 | 5 | 1 | 5 | 6.5 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cc4ccccc4n3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| 44563579 | 174567 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 4 | 2 | 2 | 5.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL455699 | 174567 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 4 | 2 | 2 | 5.6 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)Nc1c(F)cccc1F | 10.1021/jm8008162 | ||
| CHEMBL5070075 | 214203 | 0 | None | -660 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | O[C@@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| 44520884 | 12420 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 579 | 6 | 1 | 5 | 5.3 | CN(C)C1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186088 | 12420 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 579 | 6 | 1 | 5 | 5.3 | CN(C)C1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL448942 | 12420 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 579 | 6 | 1 | 5 | 5.3 | CN(C)C1CCN(c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)C1 | 10.1016/j.bmc.2008.09.039 | ||
| 2249 | 2215 | 18 | None | -54 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 9872389 | 2215 | 18 | None | -54 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| CHEMBL1253853 | 2215 | 18 | None | -54 | 6 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 10298385 | 190564 | 33 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| CHEMBL518043 | 190564 | 33 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 462 | 4 | 1 | 3 | 3.7 | Cc1cc(C(=O)N2CCCCc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=O)N(C)C | 10.1021/jm8008162 | ||
| 46890438 | 6554 | 0 | None | -4073 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083094 | 6554 | 0 | None | -4073 | 2 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44314342 | 103059 | 0 | None | -6 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 604 | 7 | 1 | 5 | 6.9 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL307487 | 103059 | 0 | None | -6 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 604 | 7 | 1 | 5 | 6.9 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2-c2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 46890054 | 6887 | 0 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 443 | 4 | 0 | 3 | 6.6 | COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084386 | 6887 | 0 | None | -19 | 2 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 443 | 4 | 0 | 3 | 6.6 | COc1ccc2cc(-c3ccc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3OC)ccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890185 | 7171 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 3 | 0 | 2 | 10.1 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4csc5ccccc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085624 | 7171 | 0 | None | 5 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 3 | 0 | 2 | 10.1 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4csc5ccccc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 19608069 | 118570 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 5.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416766 | 118570 | 0 | None | 3 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 402 | 3 | 1 | 3 | 5.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 10119966 | 185364 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL486064 | 185364 | 0 | None | 1 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnc4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520873 | 12665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 561 | 6 | 1 | 5 | 5.9 | CCc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1187511 | 12665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 561 | 6 | 1 | 5 | 5.9 | CCc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL506111 | 12665 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 561 | 6 | 1 | 5 | 5.9 | CCc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| 16109440 | 161592 | 0 | None | -831 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 997 | 16 | 11 | 14 | -2.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL412973 | 161592 | 0 | None | -831 | 4 | Rat | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 997 | 16 | 11 | 14 | -2.3 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44520870 | 186929 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL490249 | 186929 | 0 | None | 10 | 2 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 514 | 5 | 2 | 5 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCC(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44520879 | 12702 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 5 | 1 | 4 | 5.7 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1187728 | 12702 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 5 | 1 | 4 | 5.7 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL516757 | 12702 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 536 | 5 | 1 | 4 | 5.7 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(N3CCCC3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1790549 | 208876 | 0 | None | -18 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1C(=O)N2NCCC[C@@H]2C(=O)N2NCCC[C@H]2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1O | 10.1021/jm00171a003 | ||||
| 54584267 | 61155 | 0 | None | -35481 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 1154 | 25 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765667 | 61155 | 0 | None | -35481 | 4 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 1154 | 25 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 44314536 | 204977 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2ccccc2C(=O)N2CCC(N3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL76763 | 204977 | 0 | None | -1 | 2 | Rat | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 620 | 8 | 1 | 6 | 7.0 | Cc1occc1C(=O)Nc1ccc(C(=O)N(C)c2ccccc2Oc2ccccc2C(=O)N2CCC(N3CCCCC3)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 168277882 | 190489 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCN(CCCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5179440 | 190489 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 588 | 9 | 1 | 5 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCN(CCCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | None | 10.1021/jm030611c | ||||
| 46890153 | 6818 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084069 | 6818 | 0 | None | 1 | 2 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 457 | 2 | 0 | 2 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(-c3csc4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 145975166 | 163769 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.7 | O=C(c1ccc(-c2cccnc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205970 | 163769 | 0 | None | -3 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 328 | 2 | 0 | 2 | 4.7 | O=C(c1ccc(-c2cccnc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 46890053 | 6824 | 0 | None | -141 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084112 | 6824 | 0 | None | -141 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc2ccccc2c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL2369845 | 209685 | 0 | None | -30 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| CHEMBL2369838 | 209680 | 0 | None | -12 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 16109446 | 136580 | 0 | None | -630 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 15 | 11 | 14 | -2.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL373968 | 136580 | 0 | None | -630 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 983 | 15 | 11 | 14 | -2.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44297632 | 101989 | 0 | None | -57 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 780 | 6 | 3 | 6 | 2.9 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)N2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||
| CHEMBL301708 | 101989 | 0 | None | -57 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 780 | 6 | 3 | 6 | 2.9 | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)N2CCN(CC2)C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||
| 44316241 | 97160 | 0 | None | -1071 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL268306 | 97160 | 0 | None | -1071 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 5034737 | 206320 | 12 | None | -20 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL87351 | 206320 | 12 | None | -20 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 341 | 4 | 0 | 4 | 4.9 | COc1ccccc1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 10142915 | 206397 | 0 | None | -549 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 523 | 12 | 0 | 6 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL87887 | 206397 | 0 | None | -549 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 523 | 12 | 0 | 6 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 46890055 | 6419 | 0 | None | -2290 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 398 | 3 | 0 | 3 | 5.5 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccnc1Cl | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1082493 | 6419 | 0 | None | -2290 | 2 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 398 | 3 | 0 | 3 | 5.5 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccnc1Cl | 10.1016/j.bmcl.2010.04.068 | ||
| 42629368 | 182641 | 0 | None | 251 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478902 | 182641 | 0 | None | 251 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 457 | 3 | 1 | 4 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44325895 | 207885 | 0 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96731 | 207885 | 0 | None | 19 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 71460752 | 82356 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1001 | 14 | 2 | 9 | 10.1 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172390 | 82356 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1001 | 14 | 2 | 9 | 10.1 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2372926 | 210291 | 0 | None | -5 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3ccccc3)N(C)C(=O)[C@@H]3CCCCN3C(=O)[C@H]3CCCCN3C(=O)[C@H]([C@@H](C)CC)NC2=O)cc1 | 10.1021/jm00169a001 | ||||
| 1103817 | 16972 | 13 | None | -602 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| CHEMBL1254117 | 16972 | 13 | None | -602 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm050645f | ||
| 1103817 | 16972 | 13 | None | -602 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| CHEMBL1254117 | 16972 | 13 | None | -602 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 492 | 8 | 2 | 6 | 3.1 | CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1 | 10.1021/jm901812z | ||
| 42611262 | 180535 | 0 | None | -251 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| CHEMBL475395 | 180535 | 0 | None | -251 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 349 | 6 | 0 | 2 | 4.7 | Cc1cc(C(=O)N(CC2CC2)CC2CCCO2)ccc1-c1ccccc1 | 10.1016/j.bmcl.2008.11.064 | ||
| 168270081 | 190030 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 560 | 7 | 1 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5172250 | 190030 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 560 | 7 | 1 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 44294573 | 162075 | 0 | None | -3 | 2 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL416114 | 162075 | 0 | None | -3 | 2 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 71451749 | 82345 | 0 | None | 38 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1205 | 25 | 7 | 15 | 9.2 | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 | 10.1021/jm3006146 | ||
| CHEMBL2172288 | 82345 | 0 | None | 38 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1205 | 25 | 7 | 15 | 9.2 | O=C(CCC(=O)NC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21)NCc1cn(CCOCCOCCOCCNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)nn1 | 10.1021/jm3006146 | ||
| CHEMBL300642 | 210885 | 0 | None | -32 | 2 | Rat | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 44520866 | 181616 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 536 | 5 | 1 | 5 | 5.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccco4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL477456 | 181616 | 0 | None | 2 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 536 | 5 | 1 | 5 | 5.8 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccco4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44351385 | 117015 | 0 | None | - | 1 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 910 | 14 | 8 | 11 | 2.2 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL339073 | 117015 | 0 | None | - | 1 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 910 | 14 | 8 | 11 | 2.2 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44351440 | 168788 | 0 | None | - | 1 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1036 | 17 | 8 | 12 | 3.0 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL437674 | 168788 | 0 | None | - | 1 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1036 | 17 | 8 | 12 | 3.0 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44351357 | 155692 | 0 | None | - | 1 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1055 | 14 | 8 | 12 | 3.1 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCc3ccc(CN)cc3)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL405308 | 155692 | 0 | None | - | 1 | Pig | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 1055 | 14 | 8 | 12 | 3.1 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCc3ccc(CN)cc3)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 2253 | 2219 | 20 | None | -37153 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 5311202 | 2219 | 20 | None | -37153 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| CHEMBL306645 | 2219 | 20 | None | -37153 | 6 | Human | 4.6 | pKi | = | 4.6 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 145978570 | 163795 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4206233 | 163795 | 0 | None | -8 | 3 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 331 | 2 | 0 | 3 | 4.2 | Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)cc2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44275447 | 96394 | 0 | None | -354 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1111 | 32 | 13 | 13 | -3.6 | CN(C(=O)Cc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL262035 | 96394 | 0 | None | -354 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1111 | 32 | 13 | 13 | -3.6 | CN(C(=O)Cc1ccccc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(N)=O | 10.1021/jm9804782 | ||
| 2200 | 3286 | 46 | None | -288 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 3482 | 3286 | 46 | None | -288 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 60943 | 3286 | 46 | None | -288 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| CHEMBL419667 | 3286 | 46 | None | -288 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| DB13929 | 3286 | 46 | None | -288 | 6 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10.1021/jm010544r | ||
| 135916070 | 200950 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL601931 | 200950 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 135916070 | 200950 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/jm901084f | ||
| CHEMBL601931 | 200950 | 0 | None | -1 | 3 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 418 | 2 | 1 | 6 | 4.5 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)c(Cl)c2)n1 | 10.1021/jm901084f | ||
| 2202 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| 9895468 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL582857 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| DB12643 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2011.03.012 | ||
| 9981665 | 118451 | 4 | None | -77 | 6 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL341339 | 118451 | 4 | None | -77 | 6 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| 46890615 | 6642 | 0 | None | -128 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083444 | 6642 | 0 | None | -128 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 411 | 3 | 0 | 2 | 6.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(Cl)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 44297517 | 155702 | 0 | None | -28 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL405440 | 155702 | 0 | None | -28 | 3 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1343 | 39 | 15 | 16 | -1.4 | CN(C(=O)CCCc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 151171 | 1155 | 50 | None | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 216322 | 1155 | 50 | None | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2203 | 1155 | 50 | None | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 732 | 1155 | 50 | None | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1755 | 1155 | 50 | None | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| DB00872 | 1155 | 50 | None | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44419029 | 96881 | 0 | None | -77 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1053 | 18 | 13 | 14 | -2.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL265859 | 96881 | 0 | None | -77 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1053 | 18 | 13 | 14 | -2.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 16109448 | 141575 | 0 | None | -5 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1054 | 19 | 14 | 15 | -3.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL385068 | 141575 | 0 | None | -5 | 4 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1054 | 19 | 14 | 15 | -3.7 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44325579 | 111900 | 0 | None | 33 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 535 | 4 | 2 | 5 | 5.9 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL328791 | 111900 | 0 | None | 33 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 535 | 4 | 2 | 5 | 5.9 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(O)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 10414302 | 112493 | 0 | None | 50 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL329903 | 112493 | 0 | None | 50 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44294573 | 162075 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL416114 | 162075 | 0 | None | 3 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 11366713 | 137197 | 0 | None | -7 | 8 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375096 | 137197 | 0 | None | -7 | 8 | Rat | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 1054 | 19 | 13 | 15 | -3.9 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 44520861 | 180795 | 0 | None | 12 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL475684 | 180795 | 0 | None | 12 | 2 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 548 | 5 | 1 | 6 | 5.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccnn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL2370646 | 209882 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| 44351441 | 96849 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1050 | 16 | 9 | 12 | 1.5 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCN=C(N)N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL265591 | 96849 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1050 | 16 | 9 | 12 | 1.5 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCN=C(N)N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44325691 | 12966 | 0 | None | 239 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL1189693 | 12966 | 0 | None | 239 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL539285 | 12966 | 0 | None | 239 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 4 | 1 | 4 | 6.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325766 | 112532 | 0 | None | 109 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330005 | 112532 | 0 | None | 109 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1ccc(F)cc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325695 | 167982 | 0 | None | 1230 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL432043 | 167982 | 0 | None | 1230 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1cccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325332 | 207368 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93861 | 207368 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 503 | 4 | 1 | 4 | 5.5 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 16109442 | 137372 | 0 | None | -6 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375325 | 137372 | 0 | None | -6 | 4 | Rat | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1068 | 20 | 14 | 15 | -3.3 | N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 163408867 | 192338 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 588 | 7 | 2 | 5 | 5.5 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCC(=O)N3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5207224 | 192338 | 4 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 588 | 7 | 2 | 5 | 5.5 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCC(=O)N3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 44294542 | 96454 | 0 | None | - | 1 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| CHEMBL262423 | 96454 | 0 | None | - | 1 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| 44294542 | 96454 | 0 | None | - | 1 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL262423 | 96454 | 0 | None | - | 1 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1079 | 17 | 10 | 13 | 0.3 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 46890612 | 6872 | 0 | None | -81 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 5.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084325 | 6872 | 0 | None | -81 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 420 | 4 | 1 | 3 | 5.4 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(NC(C)=O)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 11757222 | 107975 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL319418 | 107975 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 44294592 | 96729 | 0 | None | - | 1 | Pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1007 | 16 | 8 | 12 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@@H]3C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL264540 | 96729 | 0 | None | - | 1 | Pig | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 1007 | 16 | 8 | 12 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@@H]3C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 56679085 | 63179 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 724 | 6 | 2 | 8 | 2.7 | CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| CHEMBL1790550 | 63179 | 0 | None | - | 1 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 724 | 6 | 2 | 8 | 2.7 | CC[C@@H](C)[C@@H]1NC[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| 167184706 | 189961 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 588 | 9 | 2 | 5 | 6.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5171014 | 189961 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 588 | 9 | 2 | 5 | 6.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 167184778 | 190027 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 7.0 | CCN(CC)CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5172177 | 190027 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 560 | 10 | 2 | 4 | 7.0 | CCN(CC)CCCNC1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3C)cc2C)c2ccc(Cl)cc21 | 10.1021/acs.jmedchem.2c00011 | ||
| 53349471 | 118577 | 0 | None | -22 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416774 | 118577 | 0 | None | -22 | 2 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL1790552 | 208878 | 0 | None | -1 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O | 10.1021/jm00171a003 | ||||
| 54582318 | 61156 | 0 | None | -8317 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 1210 | 29 | 12 | 15 | 1.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765668 | 61156 | 0 | None | -8317 | 4 | Human | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 1210 | 29 | 12 | 15 | 1.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 11465834 | 138397 | 0 | None | -263 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| CHEMBL377414 | 138397 | 0 | None | -263 | 4 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm060073e | ||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmc.2018.03.019 | ||||
| 44335345 | 5139 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL105961 | 5139 | 0 | None | 4 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 505 | 3 | 1 | 3 | 6.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL2372927 | 210292 | 0 | None | -199 | 2 | Rat | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 2202 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 9895468 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| CHEMBL582857 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| DB12643 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2010.12.081 | ||
| 2202 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 9895468 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| CHEMBL582857 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| DB12643 | 2741 | 33 | None | -489 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 10.1016/j.bmcl.2009.09.050 | ||
| 44520867 | 182002 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 456 | 3 | 1 | 4 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478082 | 182002 | 0 | None | 5 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 456 | 3 | 1 | 4 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(N)=O)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 44314134 | 104765 | 0 | None | -331 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 576 | 5 | 1 | 5 | 5.5 | Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C/C(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL310921 | 104765 | 0 | None | -331 | 2 | Rat | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 576 | 5 | 1 | 5 | 5.5 | Cc1occc1C(=O)Nc1ccc(C(=O)N2CCC(F)(F)/C(=C/C(=O)N3CCC(N(C)C)CC3)c3ccccc32)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 2213 | 517 | 46 | None | -660 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 3008 | 517 | 46 | None | -660 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| 5311010 | 517 | 46 | None | -660 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL382301 | 517 | 46 | None | -660 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| DB09059 | 517 | 46 | None | -660 | 5 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | None | None | None | None | 10.1016/j.bmcl.2007.11.008 | ||||
| CHEMBL52813 | 215682 | 0 | None | -23 | 2 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C1=O | 10.1021/jm00169a001 | ||||
| 145966126 | 164120 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 3 | 0 | 4 | 4.9 | Cc1ccn(-c2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4210158 | 164120 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 408 | 3 | 0 | 4 | 4.9 | Cc1ccn(-c2ccc(C(=O)N3CCCC(N(C)C)c4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 145964296 | 164102 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.1 | O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4209952 | 164102 | 0 | None | 1 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 329 | 2 | 0 | 3 | 4.1 | O=C(c1ccc(-c2ncccn2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 46890439 | 6555 | 1 | None | -51 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083095 | 6555 | 1 | None | -51 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 347 | 2 | 0 | 1 | 5.7 | Cc1ccccc1-c1ccc(C(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1790549 | 208876 | 0 | None | -18 | 2 | Rat | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1C(=O)N2NCCC[C@@H]2C(=O)N2NCCC[C@H]2C(=O)N(C)[C@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N1O | 10.1021/jm00171a003 | ||||
| 45103785 | 199243 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 584 | 4 | 1 | 5 | 4.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| CHEMBL590175 | 199243 | 0 | None | -1 | 2 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 584 | 4 | 1 | 5 | 4.6 | Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1 | 10.1021/jm901084f | ||
| 168281863 | 191016 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 608 | 8 | 1 | 5 | 6.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccc(Cl)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5187046 | 191016 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 608 | 8 | 1 | 5 | 6.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccc(Cl)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010526+ | ||||
| 44361522 | 121669 | 0 | None | -6165 | 5 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| CHEMBL358793 | 121669 | 0 | None | -6165 | 5 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 477 | 4 | 0 | 5 | 3.8 | CC(=O)N1CCC(Oc2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc2)CC1 | 10.1021/jm00023a002 | ||
| 44361406 | 34984 | 0 | None | -1122 | 5 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| CHEMBL143304 | 34984 | 0 | None | -1122 | 5 | Rat | 4.5 | pKi | = | 4.5 | Binding | ChEMBL | 451 | 7 | 1 | 5 | 3.4 | CC(=O)NCCCOc1ccc(C(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm00023a002 | ||
| 46890184 | 6503 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.3 | COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1082835 | 6503 | 0 | None | 2 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 453 | 3 | 0 | 3 | 7.3 | COc1cc(-c2csc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL2369841 | 209683 | 0 | None | -10 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | NC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| 118734334 | 118571 | 0 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416767 | 118571 | 0 | None | -10 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 10187283 | 206190 | 0 | None | -120 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86577 | 206190 | 0 | None | -120 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| 44325905 | 164253 | 0 | None | 275 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL421180 | 164253 | 0 | None | 275 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 4 | 1 | 4 | 7.0 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1)c1cc(F)ccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44294507 | 96465 | 0 | None | - | 1 | Pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1051 | 17 | 9 | 13 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL262499 | 96465 | 0 | None | - | 1 | Pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1051 | 17 | 9 | 13 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL54443 | 215695 | 0 | None | -70 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H]2CCNCN2C1=O | 10.1021/jm00169a001 | ||||
| 57520031 | 73627 | 0 | None | -131 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017979 | 73627 | 0 | None | -131 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 555 | 7 | 0 | 6 | 3.0 | COc1cc(OC2CCN(S(C)(=O)=O)CC2)ccc1CC(=O)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 2252 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 6918320 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| CHEMBL24781 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1016/s0960-894x(99)00181-x | ||
| 2252 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 6918320 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| CHEMBL24781 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm00023a002 | ||
| 2252 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 6918320 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| CHEMBL24781 | 2218 | 48 | None | -10000 | 5 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 507 | 5 | 0 | 6 | 3.8 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)C(=O)C | 10.1021/jm901812z | ||
| 145976595 | 163691 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4205046 | 163691 | 0 | None | 6 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 408 | 2 | 1 | 4 | 4.9 | Cc1ccn(C(=O)Nc2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 | 10.1021/acs.jmedchem.8b00697 | ||
| 2204 | 4086 | 5 | None | -1258 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 9917025 | 4086 | 5 | None | -1258 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL3307200 | 4086 | 5 | None | -1258 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 10.1021/acs.jmedchem.8b00697 | ||
| 168282087 | 190733 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 602 | 10 | 2 | 5 | 6.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5182998 | 190733 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 602 | 10 | 2 | 5 | 6.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCCCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 46890215 | 7121 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 3 | 0 | 2 | 7.2 | COc1cc(-c2cccc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085378 | 7121 | 0 | None | 3 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 447 | 3 | 0 | 2 | 7.2 | COc1cc(-c2cccc3ccccc23)c(Cl)cc1C(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 | 10.1016/j.bmcl.2010.04.068 | ||
| 11465834 | 138397 | 0 | None | -263 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm201287w | ||
| CHEMBL377414 | 138397 | 0 | None | -263 | 4 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 3 | 3.3 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N(C)C)c1ccc(F)cc1F | 10.1021/jm201287w | ||
| 3537 | 3973 | 22 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 3973 | 22 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL1790547 | 208874 | 0 | None | -57 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| CHEMBL1790543 | 208872 | 0 | None | -61 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O | 10.1021/jm00171a003 | ||||
| 11634973 | 75310 | 15 | None | -31622 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| CHEMBL2037511 | 75310 | 15 | None | -31622 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 518 | 6 | 1 | 5 | 2.8 | CC[C@H](C)[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(C)nc1C | 10.1021/jm201287w | ||
| 71462479 | 82352 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1357 | 31 | 4 | 17 | 9.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7-c7ccccc7)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172295 | 82352 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 1357 | 31 | 4 | 17 | 9.0 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7-c7ccccc7)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2370640 | 209880 | 0 | None | 1 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| 44325363 | 106583 | 0 | None | 281 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL314290 | 106583 | 0 | None | 281 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 567 | 5 | 1 | 5 | 6.1 | COc1ccc(C(=O)Nc2ccc(C(=O)N3C[C@H]4COCCN4Cc4ccccc43)c(Cl)c2)c(-c2ccccc2)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325538 | 112534 | 0 | None | 616 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330016 | 112534 | 0 | None | 616 | 2 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccc(O)cc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 168294659 | 192377 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 574 | 8 | 1 | 5 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5207885 | 192377 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 574 | 8 | 1 | 5 | 6.2 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL2370646 | 209882 | 0 | None | -1 | 2 | Pig | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| CHEMBL408474 | 212692 | 0 | None | - | 1 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | NCCCC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(=O)O | 10.1021/jm00150a003 | ||||
| 73348509 | 89391 | 0 | None | 1 | 2 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 979 | 13 | 8 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL2370642 | 89391 | 0 | None | 1 | 2 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 979 | 13 | 8 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 9959174 | 194464 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL487164 | 194464 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL528996 | 194464 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 9959174 | 194464 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL487164 | 194464 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL528996 | 194464 | 0 | None | 3 | 3 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| 73348509 | 89391 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 979 | 13 | 8 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL2370642 | 89391 | 0 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 979 | 13 | 8 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 15416417 | 159719 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4104877 | 159719 | 0 | None | -2 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 44382498 | 96464 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1093 | 17 | 10 | 13 | 0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| CHEMBL262482 | 96464 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1093 | 17 | 10 | 13 | 0.6 | CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00124a025 | ||
| 46890288 | 7393 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 528 | 3 | 0 | 2 | 8.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086574 | 7393 | 0 | None | -1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 528 | 3 | 0 | 2 | 8.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44314382 | 102967 | 0 | None | -14 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 648 | 9 | 1 | 6 | 7.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL306718 | 102967 | 0 | None | -14 | 2 | Rat | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 648 | 9 | 1 | 6 | 7.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| 44351409 | 96592 | 0 | None | - | 1 | Pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1050 | 18 | 8 | 12 | 3.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL263432 | 96592 | 0 | None | - | 1 | Pig | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 1050 | 18 | 8 | 12 | 3.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 46890290 | 6965 | 0 | None | -58 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 3 | 0 | 2 | 9.4 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084717 | 6965 | 0 | None | -58 | 2 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 544 | 3 | 0 | 2 | 9.4 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c4ccccc34)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 16109445 | 137219 | 0 | None | -1659 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1011 | 17 | 11 | 14 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL375188 | 137219 | 0 | None | -1659 | 4 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1011 | 17 | 11 | 14 | -1.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 46890289 | 7394 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 4 | 0 | 3 | 8.9 | COc1cc(-c2cccc3cccnc23)c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086575 | 7394 | 0 | None | 1 | 2 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 558 | 4 | 0 | 3 | 8.9 | COc1cc(-c2cccc3cccnc23)c(Cl)cc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL2369848 | 209687 | 0 | None | -912 | 4 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 11016093 | 168031 | 0 | None | -2089 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL432375 | 168031 | 0 | None | -2089 | 2 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 466 | 9 | 1 | 5 | 6.5 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCC1CCNCC1 | 10.1021/jm010544r | ||
| 44313913 | 204817 | 0 | None | -58 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 670 | 10 | 1 | 7 | 6.2 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL75489 | 204817 | 0 | None | -58 | 2 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 670 | 10 | 1 | 7 | 6.2 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 16109438 | 96548 | 0 | None | -147 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1051 | 17 | 11 | 14 | -1.0 | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL263090 | 96548 | 0 | None | -147 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1051 | 17 | 11 | 14 | -1.0 | NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 16109444 | 161425 | 0 | None | -562 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL412742 | 161425 | 0 | None | -562 | 5 | Rat | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1037 | 16 | 11 | 14 | -1.3 | NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL297725 | 210879 | 0 | None | -31 | 2 | Rat | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 54584268 | 61158 | 0 | None | -5370 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 1226 | 29 | 13 | 16 | 0.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765671 | 61158 | 0 | None | -5370 | 4 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 1226 | 29 | 13 | 16 | 0.7 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)C(O)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCCCCCCCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 137652605 | 158810 | 0 | None | -22 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4094707 | 158810 | 0 | None | -22 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL2371439 | 210022 | 0 | None | - | 1 | Pig | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CC(C2CCCC2)SSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00399a009 | ||||
| 26434734 | 163493 | 8 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 294 | 2 | 0 | 2 | 3.7 | CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4202525 | 163493 | 8 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 294 | 2 | 0 | 2 | 3.7 | CN(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL5070261 | 214206 | 0 | None | -1548 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | OC1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| 53349364 | 166665 | 0 | None | -8 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| CHEMBL4282161 | 166665 | 0 | None | -8 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| 46890485 | 6998 | 0 | None | -7943 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084823 | 6998 | 0 | None | -7943 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 361 | 2 | 0 | 1 | 6.0 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL300103 | 210884 | 0 | None | -81 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCNCN2C1=O | 10.1021/jm00169a001 | ||||
| 10278394 | 206160 | 0 | None | -1202 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 495 | 10 | 0 | 6 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL86384 | 206160 | 0 | None | -1202 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 495 | 10 | 0 | 6 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 44351337 | 171691 | 0 | None | - | 1 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 840 | 10 | 7 | 10 | 2.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL446683 | 171691 | 0 | None | - | 1 | Pig | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 840 | 10 | 7 | 10 | 2.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 54584266 | 61153 | 0 | None | -7585 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765664 | 61153 | 0 | None | -7585 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1145 | 20 | 12 | 15 | 0.2 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)c2ccccc2N)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 16051933 | 138105 | 4 | None | -25 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm030611c | ||
| CHEMBL376685 | 138105 | 4 | None | -25 | 8 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1068 | 19 | 14 | 15 | -4.1 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm030611c | ||
| 9849525 | 111399 | 0 | None | 61 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL327365 | 111399 | 0 | None | 61 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 519 | 4 | 1 | 4 | 6.2 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44325558 | 112542 | 0 | None | 1096 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330094 | 112542 | 0 | None | 1096 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 553 | 4 | 2 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1cccc(O)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 44317966 | 155628 | 0 | None | - | 1 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1124 | 21 | 11 | 14 | -0.7 | CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| CHEMBL404820 | 155628 | 0 | None | - | 1 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 1124 | 21 | 11 | 14 | -0.7 | CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| 44520855 | 179350 | 0 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL473872 | 179350 | 0 | None | 5 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cccc(CNC(=O)/C=C2/c3ccccc3N(C(=O)c3ccc(-n4ccc(C)n4)cc3Cl)CCC2(F)F)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL2370640 | 209880 | 0 | None | -1 | 2 | Pig | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| 71457081 | 82346 | 0 | None | 64 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482251 | 82346 | 0 | None | 64 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172289 | 82346 | 0 | None | 64 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1309 | 24 | 5 | 14 | 10.2 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 44294573 | 162075 | 0 | None | -3 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL416114 | 162075 | 0 | None | -3 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44294573 | 162075 | 0 | None | -3 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL416114 | 162075 | 0 | None | -3 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 953 | 16 | 9 | 12 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL2369839 | 209681 | 0 | None | -33 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 3537 | 3973 | 22 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 5311500 | 3973 | 22 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/acs.jmedchem.8b00697 | ||
| 3537 | 3973 | 22 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 5311500 | 3973 | 22 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| CHEMBL363910 | 3973 | 22 | None | 3 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 402 | 2 | 0 | 4 | 4.8 | Cc1ccn(n1)c1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2 | 10.1021/jm901084f | ||
| 44243143 | 16992 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 5 | 0 | 6 | 4.3 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 | 10.1021/jm901812z | ||
| CHEMBL1254297 | 16992 | 0 | None | -8 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 372 | 5 | 0 | 6 | 4.3 | COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cn1 | 10.1021/jm901812z | ||
| CHEMBL2372928 | 210293 | 0 | None | -10 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCCCN2C1=O | 10.1021/jm00169a001 | ||||
| 11488952 | 77555 | 0 | None | -2511 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| CHEMBL208787 | 77555 | 0 | None | -2511 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 501 | 7 | 2 | 4 | 4.2 | CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)NC(C)C)c1ccc2occc2c1 | 10.1021/jm060073e | ||
| 5306925 | 164055 | 13 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(Cl)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4209421 | 164055 | 13 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 285 | 1 | 0 | 1 | 4.3 | O=C(c1ccc(Cl)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 16109441 | 137370 | 0 | None | -114 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1026 | 19 | 12 | 15 | -2.8 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL375323 | 137370 | 0 | None | -114 | 4 | Rat | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1026 | 19 | 12 | 15 | -2.8 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 168288721 | 191370 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 532 | 8 | 1 | 4 | 6.4 | CN(C)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5192496 | 191370 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 532 | 8 | 1 | 4 | 6.4 | CN(C)CCCN1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3)cc2)c2ccccc21 | 10.1021/acs.jmedchem.2c00567 | ||
| 145970757 | 164761 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 1 | 5.0 | CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4218211 | 164761 | 0 | None | -1 | 3 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 307 | 4 | 0 | 1 | 5.0 | CCCCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/acs.jmedchem.8b00697 | ||
| 44335343 | 107443 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL318392 | 107443 | 0 | None | 1 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 519 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(CC4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1Cl | 10.1016/s0960-894x(02)00649-2 | ||
| 54581307 | 61154 | 0 | None | -4073 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1097 | 21 | 12 | 15 | -1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765666 | 61154 | 0 | None | -4073 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1097 | 21 | 12 | 15 | -1.4 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)CCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 44520869 | 186910 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 4.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCN(C)C)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL490049 | 186910 | 0 | None | 1 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 527 | 6 | 1 | 5 | 4.6 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCN(C)C)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 46890440 | 7319 | 0 | None | -173 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086272 | 7319 | 0 | None | -173 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 381 | 2 | 0 | 1 | 6.4 | Cc1ccccc1-c1ccc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)c(Cl)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 137642420 | 158036 | 0 | None | -11 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4086079 | 158036 | 0 | None | -11 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 414 | 3 | 2 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@H](O)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 71451752 | 82350 | 0 | None | 9 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7C)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172293 | 82350 | 0 | None | 9 | 2 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 1295 | 30 | 4 | 17 | 7.6 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7C)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL1790546 | 208873 | 0 | None | -85 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 2241 | 2206 | 1 | None | -208 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00169a001 | ||||
| 9810632 | 2206 | 1 | None | -208 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00169a001 | ||||
| CHEMBL127686 | 2206 | 1 | None | -208 | 4 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00169a001 | ||||
| 168280173 | 190759 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 4.7 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5183482 | 190759 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 4.7 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(F)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL1790551 | 208877 | 0 | None | -229 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C[C@@H](CN(C)C)C=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| CHEMBL292579 | 210863 | 0 | None | -32 | 2 | Rat | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](CCCN)NC(=O)[C@H]2CCNCN2C1=O | 10.1021/jm00169a001 | ||||
| 44316236 | 205502 | 0 | None | -23 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 997 | 16 | 12 | 14 | -4.0 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL80877 | 205502 | 0 | None | -23 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 997 | 16 | 12 | 14 | -4.0 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 46890654 | 7099 | 0 | None | -707 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(C)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085299 | 7099 | 0 | None | -707 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccc(C)cc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 162676461 | 183488 | 0 | None | -707 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||
| CHEMBL4799793 | 183488 | 0 | None | -707 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1021/acs.jmedchem.1c00863 | ||
| 162676461 | 183488 | 0 | None | -707 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| CHEMBL4799793 | 183488 | 0 | None | -707 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 394 | 3 | 0 | 5 | 4.9 | Clc1ccc2c(c1)CCCc1nnc([C@H]3CC[C@H](Oc4ccccn4)CC3)n1-2 | 10.1016/j.bmcl.2020.127417 | ||
| 9981665 | 118451 | 4 | None | -15 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL341339 | 118451 | 4 | None | -15 | 6 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 3.4 | CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)[C@@](O)(CC(=O)O)C2 | 10.1021/jm901812z | ||
| CHEMBL2369834 | 209676 | 0 | None | -43 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | NCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||||
| CHEMBL1790547 | 208874 | 0 | None | -57 | 2 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2C=CC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 57519947 | 73621 | 0 | None | -100 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| CHEMBL2017868 | 73621 | 0 | None | -100 | 5 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 707 | 9 | 0 | 6 | 4.3 | CS(=O)(=O)N1CCC(Oc2ccc(CC(=O)N3CCC(N4C(=O)CCc5ccccc54)CC3)c(OC/C=C\I)c2)CC1 | 10.1016/j.bmc.2012.02.019 | ||
| 10187283 | 206190 | 0 | None | -194 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| CHEMBL86577 | 206190 | 0 | None | -194 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 543 | 7 | 0 | 6 | 5.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCc1ccc(C(=O)N2CCN(C)CC2)cc1 | 10.1021/jm010544r | ||
| 2249 | 2215 | 18 | None | -162 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 9872389 | 2215 | 18 | None | -162 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| CHEMBL1253853 | 2215 | 18 | None | -162 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1016/j.bmcl.2012.10.116 | ||
| 2249 | 2215 | 18 | None | -162 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 9872389 | 2215 | 18 | None | -162 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| CHEMBL1253853 | 2215 | 18 | None | -162 | 6 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 554 | 9 | 2 | 7 | 1.5 | O=C([C@H](CCS(=O)(=O)C)N)N[C@H]1C[C@@H]2C([C@]1(CC2)CS(=O)(=O)N1CCN(CC1)c1ccccc1C)(C)C | 10.1021/jm901812z | ||
| 44520877 | 12579 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186990 | 12579 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL485761 | 12579 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 547 | 5 | 1 | 5 | 5.6 | Cc1ccnn1-c1ccc(C(=O)N2CCC(F)(F)/C(=C\C(=O)NCc3ccccn3)c3ccccc32)c(Cl)c1 | 10.1016/j.bmc.2008.09.039 | ||
| 44351441 | 96849 | 0 | None | -1 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1050 | 16 | 9 | 12 | 1.5 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCN=C(N)N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL265591 | 96849 | 0 | None | -1 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1050 | 16 | 9 | 12 | 1.5 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCN=C(N)N)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44294575 | 82085 | 0 | None | - | 1 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| CHEMBL216606 | 82085 | 0 | None | - | 1 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| 135916059 | 201066 | 0 | None | 5 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 513 | 4 | 2 | 5 | 6.6 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| CHEMBL602872 | 201066 | 0 | None | 5 | 3 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 513 | 4 | 2 | 5 | 6.6 | Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1NC(=O)c1ccccc1-c1ccccc1 | 10.1021/jm901084f | ||
| 44294575 | 82085 | 0 | None | - | 1 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL216606 | 82085 | 0 | None | - | 1 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 1136 | 19 | 11 | 14 | -0.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 44351278 | 117256 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 924 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL339532 | 117256 | 0 | None | 1 | 2 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 924 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44351278 | 117256 | 0 | None | -1 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 924 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL339532 | 117256 | 0 | None | -1 | 2 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 924 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44294532 | 155740 | 0 | None | - | 1 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 910 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL405818 | 155740 | 0 | None | - | 1 | Pig | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 910 | 15 | 8 | 11 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 168268939 | 189890 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 560 | 7 | 2 | 5 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| CHEMBL5169868 | 189890 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 560 | 7 | 2 | 5 | 5.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(NCCN3CCOCC3)c3cc(Cl)ccc32)c(C)c1 | 10.1021/acs.jmedchem.2c00011 | ||
| 44325915 | 112711 | 0 | None | 104 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL330494 | 112711 | 0 | None | 104 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 509 | 3 | 1 | 4 | 5.6 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccccc32)c(Cl)c1 | 10.1016/j.bmcl.2004.03.083 | ||
| 46890186 | 7221 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085850 | 7221 | 0 | None | 1 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 451 | 2 | 0 | 1 | 7.9 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cccc4ccccc34)c(Cl)c2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890709 | 6805 | 0 | None | -6025 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.9 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084008 | 6805 | 0 | None | -6025 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.9 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1c[nH]c2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 16109437 | 84275 | 0 | None | -316 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1065 | 18 | 11 | 14 | -0.6 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL221485 | 84275 | 0 | None | -316 | 5 | Rat | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1065 | 18 | 11 | 14 | -0.6 | NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 2042 | 2962 | 58 | None | -63 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 2174 | 2962 | 58 | None | -63 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 2176 | 2962 | 58 | None | -63 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 439302 | 2962 | 58 | None | -63 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| CHEMBL395429 | 2962 | 58 | None | -63 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| DB00107 | 2962 | 58 | None | -63 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 168281109 | 191120 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5188374 | 191120 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 512 | 7 | 1 | 5 | 4.8 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 54584476 | 62342 | 0 | None | -478 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779400 | 62342 | 0 | None | -478 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 630 | 8 | 1 | 10 | 2.3 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL2369842 | 209684 | 0 | None | -41 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 46890052 | 6823 | 0 | None | -11 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084111 | 6823 | 0 | None | -11 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 413 | 3 | 0 | 2 | 6.6 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 2239 | 1072 | 1 | None | -501 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm050557v | ||
| 6918854 | 1072 | 1 | None | -501 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm050557v | ||
| CHEMBL196478 | 1072 | 1 | None | -501 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm050557v | ||
| 2239 | 1072 | 1 | None | -501 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 6918854 | 1072 | 1 | None | -501 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| CHEMBL196478 | 1072 | 1 | None | -501 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 497 | 7 | 2 | 3 | 3.7 | CC(C[C@@H]1C(=O)N[C@@H](C(=O)N1[C@H](c1ccc(cc1F)F)C(=O)NC(C)C)C1Cc2c(C1)cccc2)C | 10.1021/jm901812z | ||
| 54585429 | 62346 | 0 | None | -112 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 661 | 9 | 1 | 12 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| CHEMBL1779404 | 62346 | 0 | None | -112 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 661 | 9 | 1 | 12 | 1.7 | COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cnc(OC)nc3OC)(N3C[C@H](O)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1 | 10.1016/j.bmcl.2011.03.012 | ||
| 168277442 | 190487 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 566 | 7 | 1 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5179419 | 190487 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 566 | 7 | 1 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(Cl)c(Cl)c1 | 10.1021/acs.jmedchem.2c00567 | ||
| 168271930 | 190060 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 530 | 7 | 1 | 5 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5172734 | 190060 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 530 | 7 | 1 | 5 | 5.0 | Cc1ccc(F)cc1C(=O)Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 53349364 | 166665 | 0 | None | -8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| CHEMBL4282161 | 166665 | 0 | None | -8 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 427 | 3 | 1 | 3 | 4.6 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(C)c3cccc(C)c32)cc1 | 10.1039/C8MD00033F | ||
| 168282729 | 191034 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 4.7 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1F | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5187312 | 191034 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 516 | 7 | 1 | 5 | 4.7 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1F | 10.1021/acs.jmedchem.2c00567 | ||
| 44325896 | 207788 | 0 | None | 27 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 551 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL96255 | 207788 | 0 | None | 27 | 2 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 551 | 4 | 1 | 5 | 4.9 | O=C(Nc1ccc(C(=O)N2CC3CS(=O)(=O)CCN3Cc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 168287130 | 191551 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 498 | 7 | 1 | 5 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5195053 | 191551 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 498 | 7 | 1 | 5 | 4.5 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 10907482 | 206252 | 0 | None | -724 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 523 | 10 | 0 | 6 | 5.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC(=O)N1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL86936 | 206252 | 0 | None | -724 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 523 | 10 | 0 | 6 | 5.6 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCC(=O)N1CCN(C)CC1 | 10.1021/jm010544r | ||
| 100915923 | 190620 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 558 | 8 | 1 | 4 | 6.9 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5181341 | 190620 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 558 | 8 | 1 | 4 | 6.9 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCCC3)c3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/acs.jmedchem.2c00567 | ||
| 54584265 | 61152 | 0 | None | -12882 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| CHEMBL1765663 | 61152 | 0 | None | -12882 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 1026 | 18 | 11 | 14 | -0.9 | CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm1016208 | ||
| 46890656 | 7103 | 0 | None | -177 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 403 | 3 | 0 | 3 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1085301 | 7103 | 0 | None | -177 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 403 | 3 | 0 | 3 | 6.1 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1coc2ccccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1790542 | 208871 | 0 | None | -346 | 2 | Rat | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 44419027 | 161758 | 6 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1053 | 19 | 13 | 15 | -4.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| CHEMBL414074 | 161758 | 6 | None | 1 | 3 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 1053 | 19 | 13 | 15 | -4.4 | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2cccnc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O | 10.1021/jm060928n | ||
| 10206901 | 206334 | 0 | None | -501 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 494 | 11 | 0 | 5 | 7.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCCCC1 | 10.1021/jm010544r | ||
| CHEMBL87455 | 206334 | 0 | None | -501 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 494 | 11 | 0 | 5 | 7.3 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCCCC1 | 10.1021/jm010544r | ||
| 11740743 | 14076 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| CHEMBL119793 | 14076 | 0 | None | 1 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 384 | 3 | 1 | 2 | 5.2 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1 | 10.1021/jm3006146 | ||
| 44294592 | 96729 | 0 | None | - | 1 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1007 | 16 | 8 | 12 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@@H]3C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL264540 | 96729 | 0 | None | - | 1 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1007 | 16 | 8 | 12 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@@H]3C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 44520859 | 171605 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 572 | 5 | 1 | 6 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(C#N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL446566 | 171605 | 0 | None | 2 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 572 | 5 | 1 | 6 | 5.5 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4cccc(C#N)n4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 10411308 | 201211 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| CHEMBL603708 | 201211 | 0 | None | 2 | 3 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 446 | 4 | 1 | 2 | 6.6 | O=C(Nc1ccc(C(=O)N2CCCCc3ccccc32)cc1)c1ccccc1-c1ccccc1 | 10.1021/jm3006146 | ||
| 10715974 | 11890 | 0 | None | -4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL118271 | 11890 | 0 | None | -4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 71449932 | 82357 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1100 | 19 | 3 | 10 | 10.4 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2172391 | 82357 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1100 | 19 | 3 | 10 | 10.4 | CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCCCC(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1 | 10.1021/jm3006146 | ||
| CHEMBL2370641 | 209881 | 0 | None | 1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)NCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| 56665480 | 63178 | 0 | None | -91 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 754 | 6 | 2 | 8 | 3.5 | CC[C@@H](C)[C@@H]1/N=C(\S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| CHEMBL1790544 | 63178 | 0 | None | -91 | 2 | Rat | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 754 | 6 | 2 | 8 | 3.5 | CC[C@@H](C)[C@@H]1/N=C(\S)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||
| CHEMBL2371441 | 210024 | 0 | None | - | 1 | Pig | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00399a009 | ||||
| 46890571 | 7325 | 0 | None | -177 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(C)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086293 | 7325 | 0 | None | -177 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc(C)c1 | 10.1016/j.bmcl.2010.04.068 | ||
| 47177176 | 164806 | 1 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 1 | 0 | 1 | 4.4 | O=C(c1ccc(Br)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4218739 | 164806 | 1 | None | -1 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 329 | 1 | 0 | 1 | 4.4 | O=C(c1ccc(Br)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 44314222 | 204737 | 0 | None | -8 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 560 | 11 | 1 | 6 | 5.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL74593 | 204737 | 0 | None | -8 | 2 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 560 | 11 | 1 | 6 | 5.1 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCN(C)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL1790546 | 208873 | 0 | None | -85 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC=NN2C(=O)[C@H]2CCC=NN2C1=O | 10.1021/jm00171a003 | ||||
| 11144861 | 106967 | 0 | None | -954 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL315232 | 106967 | 0 | None | -954 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 452 | 8 | 1 | 5 | 6.1 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL1790552 | 208878 | 0 | None | -1 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN(C)N2C(=O)[C@H]2CCCN(C)N2C1=O | 10.1021/jm00171a003 | ||||
| 44419028 | 96880 | 17 | None | -630 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| CHEMBL265858 | 96880 | 17 | None | -630 | 8 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 1093 | 18 | 12 | 14 | -1.6 | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||
| 44275525 | 194843 | 0 | None | -107151 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 91931055 | 194843 | 0 | None | -107151 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| CHEMBL540192 | 194843 | 0 | None | -107151 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 1525 | 36 | 12 | 20 | 1.8 | CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)N(C(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccc(O)cc3)N(C)C(=O)CCc3ccc(O)cc3)[C@@H](CCCCN)C(N)=O)ccc21 | 10.1021/jm9804782 | ||
| 16109447 | 83322 | 0 | None | -83 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1012 | 18 | 12 | 15 | -3.2 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| CHEMBL219272 | 83322 | 0 | None | -83 | 4 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 1012 | 18 | 12 | 15 | -3.2 | NCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm060928n | ||
| 46890100 | 7270 | 0 | None | -33 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ncccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1086069 | 7270 | 0 | None | -33 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 414 | 3 | 0 | 3 | 6.0 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1cccc2ncccc12 | 10.1016/j.bmcl.2010.04.068 | ||
| 67839485 | 164177 | 0 | None | -33 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 2 | 0 | 1 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL4210854 | 164177 | 0 | None | -33 | 3 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 327 | 2 | 0 | 1 | 5.3 | O=C(c1ccc(-c2ccccc2)cc1)N1CCCCc2ccccc21 | 10.1021/acs.jmedchem.8b00697 | ||
| 44520848 | 199921 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 5 | 2 | 5 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL594953 | 199921 | 0 | None | 2 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 534 | 5 | 2 | 5 | 4.4 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(C(F)(F)F)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL1790543 | 208872 | 0 | None | -61 | 2 | Rat | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | None | None | None | CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCC(=O)NN2C(=O)[C@H]2CCCNN2C1=O | 10.1021/jm00171a003 | ||||
| 44314343 | 103026 | 0 | None | -134 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 650 | 13 | 1 | 7 | 6.0 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL307269 | 103026 | 0 | None | -134 | 2 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 650 | 13 | 1 | 7 | 6.0 | CCc1nccn1-c1ccccc1C(=O)Nc1ccc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)cc1 | 10.1016/s0960-894x(01)00723-5 | ||
| 44325804 | 207287 | 0 | None | 37 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL93366 | 207287 | 0 | None | 37 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 533 | 4 | 1 | 4 | 6.5 | Cc1ccc2c(c1)N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC1CSCCN1C2 | 10.1016/j.bmcl.2004.03.083 | ||
| 44297516 | 161267 | 0 | None | -37 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| CHEMBL412192 | 161267 | 0 | None | -37 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1315 | 37 | 15 | 16 | -2.2 | CN(C(=O)Cc1ccc(N=[N+]=[N-])cc1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm00038a013 | ||
| 15416418 | 157115 | 0 | None | -8 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| CHEMBL4075127 | 157115 | 0 | None | -8 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 3 | 4.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3ccccc32)cc1 | 10.1021/acs.jmedchem.7b00422 | ||
| 44351439 | 159003 | 0 | None | - | 1 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1022 | 16 | 8 | 12 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| CHEMBL409667 | 159003 | 0 | None | - | 1 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1022 | 16 | 8 | 12 | 2.6 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCCC3C(=O)NCCCCCN)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||
| 44317762 | 161293 | 0 | None | - | 1 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1067 | 19 | 10 | 13 | 0.2 | CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| CHEMBL412392 | 161293 | 0 | None | - | 1 | Pig | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 1067 | 19 | 10 | 13 | 0.2 | CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00162a001 | ||
| CHEMBL2369840 | 209682 | 0 | None | -10 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(N)=O)C(=O)N1 | 10.1021/jm030611c | ||||
| 10873853 | 106969 | 0 | None | -147 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 438 | 7 | 1 | 5 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCC1CCNCC1 | 10.1021/jm010544r | ||
| CHEMBL315251 | 106969 | 0 | None | -147 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 438 | 7 | 1 | 5 | 5.7 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCC1CCNCC1 | 10.1021/jm010544r | ||
| 46890262 | 6654 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cc(Cl)c(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083480 | 6654 | 0 | None | -1 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3cc(Cl)c(-c4cccc5cccnc45)cc3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 46890487 | 6866 | 0 | None | -4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1084307 | 6866 | 0 | None | -4 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 377 | 3 | 0 | 2 | 5.7 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1C | 10.1016/j.bmcl.2010.04.068 | ||
| 2241 | 2206 | 1 | None | -208 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 9810632 | 2206 | 1 | None | -208 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| CHEMBL127686 | 2206 | 1 | None | -208 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00099a019 | ||||
| 118734336 | 118574 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416770 | 118574 | 0 | None | -1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S@@+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 46890531 | 6705 | 0 | None | -38 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 455 | 5 | 0 | 3 | 7.2 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083732 | 6705 | 0 | None | -38 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 455 | 5 | 0 | 3 | 7.2 | COc1cc(C(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)ccc1-c1ccccc1Oc1ccccc1 | 10.1016/j.bmcl.2010.04.068 | ||
| 10144208 | 107101 | 0 | None | -1047 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 557 | 7 | 0 | 6 | 6.2 | Cc1cccc(OCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| CHEMBL316093 | 107101 | 0 | None | -1047 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 557 | 7 | 0 | 6 | 6.2 | Cc1cccc(OCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1-n1c(C)nnc1-c1ccc(-c2ccccc2)cc1 | 10.1021/jm010544r | ||
| 19607875 | 118573 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416769 | 118573 | 0 | None | 1 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 418 | 3 | 1 | 3 | 4.4 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[S+]([O-])c3ccccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 73350823 | 102503 | 0 | None | -575 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL2424668 | 102503 | 0 | None | -575 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| CHEMBL3040578 | 102503 | 0 | None | -575 | 9 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 509 | 8 | 1 | 5 | 3.7 | O=C(Cc1ccc(OC2CCNCC2)cc1OCCF)N1CCC(N2C(=O)CCc3ccccc32)CC1 | 10.1016/j.bmcl.2013.07.045 | ||
| 2042 | 2962 | 58 | None | -63 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 2174 | 2962 | 58 | None | -63 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 2176 | 2962 | 58 | None | -63 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 439302 | 2962 | 58 | None | -63 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| CHEMBL395429 | 2962 | 58 | None | -63 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| DB00107 | 2962 | 58 | None | -63 | 8 | Rat | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | None | 10.1021/jm00171a003 | ||||
| 118734335 | 118572 | 0 | None | -18 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416768 | 118572 | 0 | None | -18 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 416 | 3 | 1 | 3 | 5.7 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCSc3c(C)cccc32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 10165683 | 106099 | 0 | None | -676 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 537 | 13 | 0 | 6 | 6.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| CHEMBL313451 | 106099 | 0 | None | -676 | 2 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 537 | 13 | 0 | 6 | 6.9 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCCCN1CCN(C)CC1 | 10.1021/jm010544r | ||
| 168294720 | 192445 | 0 | None | 16 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 601 | 9 | 1 | 5 | 6.5 | CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5208751 | 192445 | 0 | None | 16 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 601 | 9 | 1 | 5 | 6.5 | CCN1CCN(CCCN2CCCN(C(=O)c3ccc(NC(=O)c4ccccc4-c4ccccc4)cc3)c3ccccc32)CC1 | 10.1021/acs.jmedchem.2c00567 | ||
| 10392505 | 108565 | 0 | None | 4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL320416 | 108565 | 0 | None | 4 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 539 | 3 | 1 | 3 | 6.6 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3cc(Cl)ccc32)cc1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00649-2 | ||
| 9915472 | 169499 | 0 | None | 14 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL443498 | 169499 | 0 | None | 14 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 547 | 4 | 1 | 3 | 7.3 | O=C(Nc1ccc(C(=O)N2C[C@@H]3C4CCC(C4)N3Cc3ccccc32)c(Cl)c1)c1ccccc1-c1ccccc1 | 10.1016/s0960-894x(02)00649-2 | ||
| 44325531 | 207155 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| CHEMBL92470 | 207155 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 537 | 4 | 1 | 4 | 6.3 | O=C(Nc1ccc(C(=O)N2CC3CSCCN3Cc3ccc(F)cc32)cc1)c1ccccc1-c1ccccc1 | 10.1016/j.bmcl.2004.03.083 | ||
| 71455302 | 82347 | 0 | None | 234 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 71482380 | 82347 | 0 | None | 234 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| CHEMBL2172290 | 82347 | 0 | None | 234 | 3 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1441 | 33 | 5 | 17 | 10.3 | CCN1/C(=C/C=C/C=C/C2=[N+](CC)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(CCCC(=O)NCCOCCOCCOCCn2cc(CNC(=O)CCC(=O)NC3CCCN(C(=O)c4ccc(NC(=O)c5ccccc5-c5ccccc5)cc4)c4ccccc43)nn2)c2cc(S(=O)(=O)O)ccc21 | 10.1021/jm3006146 | ||
| 44520876 | 12409 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1185998 | 12409 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL444956 | 12409 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 561 | 5 | 1 | 5 | 5.9 | Cc1cc(C)n(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCc4ccccn4)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2008.09.039 | ||
| 46890261 | 6653 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| CHEMBL1083479 | 6653 | 0 | None | 3 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 562 | 3 | 0 | 2 | 9.6 | CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(-c3ccc(-c4cccc5cccnc45)c(Cl)c3Cl)cc2Cl)C1 | 10.1016/j.bmcl.2010.04.068 | ||
| 44520872 | 12578 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 1 | 5 | 5.3 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL1186989 | 12578 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 1 | 5 | 5.3 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL485760 | 12578 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 533 | 5 | 1 | 5 | 5.3 | O=C(/C=C1/c2ccccc2N(C(=O)c2ccc(-n3cccn3)cc2Cl)CCC1(F)F)NCc1ccccn1 | 10.1016/j.bmc.2008.09.039 | ||
| CHEMBL3037878 | 210901 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | None | None | None | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SCSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00122a017 | ||||
| 44294507 | 96465 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1051 | 17 | 9 | 13 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| CHEMBL262499 | 96465 | 0 | None | - | 1 | Pig | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 1051 | 17 | 9 | 13 | 1.4 | CCOc1ccc(C[C@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCCN)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1 | 10.1021/jm00150a003 | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm000108p | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 10.1021/jm3006146 | ||
| 42629369 | 182170 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| CHEMBL478283 | 182170 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.03.001 | ||
| 42629369 | 182170 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| CHEMBL478283 | 182170 | 0 | None | 2 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 500 | 5 | 2 | 5 | 4.0 | Cc1ccn(-c2ccc(C(=O)N3CCC(F)(F)/C(=C\C(=O)NCCO)c4ccccc43)c(Cl)c2)n1 | 10.1016/j.bmc.2009.10.038 | ||
| 56682530 | 63180 | 0 | None | -23 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| CHEMBL1790575 | 63180 | 0 | None | -23 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 1053 | 18 | 12 | 14 | -2.6 | CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O | 10.1021/jm030611c | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 10.1016/s0960-894x(02)00649-2 | ||
| CHEMBL5074709 | 214304 | 0 | None | -2951 | 2 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | O[C@H]1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@H](Oc3ccccn3)CC2)C1 | 10.1021/acs.jmedchem.1c00863 | ||||
| 2173 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| 3038506 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| CHEMBL332447 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| DB05838 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10.1021/acs.jmedchem.8b00697 | ||
| 136961690 | 118568 | 0 | None | -87 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| CHEMBL3416757 | 118568 | 0 | None | -87 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 412 | 3 | 1 | 6 | 4.2 | Cc1ccn(Cc2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm501395b | ||
| 135916069 | 201520 | 0 | None | -51 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 398 | 2 | 1 | 6 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm901084f | ||
| CHEMBL605373 | 201520 | 0 | None | -51 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 398 | 2 | 1 | 6 | 4.1 | Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 | 10.1021/jm901084f | ||
| CHEMBL2371442 | 210025 | 0 | None | - | 1 | Pig | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | None | None | None | CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/jm00399a009 | ||||
| 44275524 | 161269 | 0 | None | -53703 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 91931053 | 161269 | 0 | None | -53703 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| CHEMBL412210 | 161269 | 0 | None | -53703 | 4 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 1471 | 34 | 14 | 20 | 1.1 | CN(C(=O)CCc1ccc(O)cc1)[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N(C(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)[C@@H](CCCCN)C(N)=O | 10.1021/jm9804782 | ||
| 56678446 | 63184 | 0 | None | -4466 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1125 | 16 | 13 | 16 | -0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| CHEMBL1790712 | 63184 | 0 | None | -4466 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 1125 | 16 | 13 | 16 | -0.3 | CC[C@@H](C)[C@H]1NC(=O)[C@@](C)(c2ccc(O)cc2)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](CCCN)C(=O)N[C@H](C(N)=O)c2ccc(O)cc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O | 10.1021/jm010526+ | ||
| 15953022 | 118616 | 0 | None | -4677 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| CHEMBL3416860 | 118616 | 0 | None | -4677 | 3 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 436 | 3 | 0 | 3 | 5.7 | Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)c2ccccc2n1Cc1ccccc1 | 10.1021/jm501745f | ||
| 44314552 | 205027 | 0 | None | -18 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 628 | 12 | 1 | 6 | 6.8 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCC(N3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| CHEMBL77105 | 205027 | 0 | None | -18 | 2 | Rat | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 628 | 12 | 1 | 6 | 6.8 | Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c(OCCCCCC(=O)N2CCC(N3CCCCC3)CC2)c1 | 10.1016/s0960-894x(01)00723-5 | ||
| 11340891 | 3296 | 30 | None | -891 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 8403 | 3296 | 30 | None | -891 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| CHEMBL429736 | 3296 | 30 | None | -891 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| DB11818 | 3296 | 30 | None | -891 | 2 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 494 | 6 | 1 | 6 | 2.0 | CC[C@@H]([C@@H]1C(=O)N[C@@H](C(=O)N1[C@@H](C(=O)N1CCOCC1)c1coc(n1)C)C1Cc2c(C1)cccc2)C | 10.1016/j.bmcl.2007.11.008 | ||
| 2253 | 2219 | 20 | None | -12882 | 6 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 5311202 | 2219 | 20 | None | -12882 | 6 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| CHEMBL306645 | 2219 | 20 | None | -12882 | 6 | Rat | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 586 | 7 | 0 | 7 | 4.4 | COc1cc(ccc1C(=O)N1CCC(CC1)N1C(=O)OCc2c1cccc2)OC1CCN(CC1)Cc1ccc[n+](c1C)[O-] | 10.1021/jm901812z | ||
| 10303620 | 206253 | 0 | None | -933 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| CHEMBL86949 | 206253 | 0 | None | -933 | 4 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 577 | 12 | 0 | 6 | 7.8 | Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1OCCCCCCN1CCC(N2CCCCC2)CC1 | 10.1021/jm010544r | ||
| 53349471 | 118577 | 0 | None | -22 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| CHEMBL3416774 | 118577 | 0 | None | -22 | 2 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.0 | Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCN(C)c3cccc(C)c32)cc1 | 10.1021/acs.jmedchem.5b00289 | ||
| 168297437 | 192337 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 7 | 1 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00567 | ||
| CHEMBL5207214 | 192337 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 566 | 7 | 1 | 5 | 5.8 | O=C(Nc1ccc(C(=O)N2CCCN(CCCN3CCOCC3)c3ccccc32)cc1)c1ccc(Cl)cc1Cl | 10.1021/acs.jmedchem.2c00567 | ||
| 119369 | 2588 | 74 | None | -1 | 8 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | None | -1 | 8 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | None | -1 | 8 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | None | -1 | 8 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 146681949 | 216051 | 0 | None | - | 9 | Pig | 8.1 | pIC50 | = | 8.1 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 216051 | 0 | None | -6 | 9 | Bovine | 8.1 | pKd | = | 8.1 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 10615 | 570 | 32 | None | -1288249 | 4 | Human | 5.0 | pKd | = | 5 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 46200932 | 570 | 32 | None | -1288249 | 4 | Human | 5.0 | pKd | = | 5 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| CHEMBL4297183 | 570 | 32 | None | -1288249 | 4 | Human | 5.0 | pKd | = | 5 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| DB14823 | 570 | 32 | None | -1288249 | 4 | Human | 5.0 | pKd | = | 5 | Binding | Guide to Pharmacology | 409 | 3 | 0 | 6 | 4.4 | CN1Cc2cc(Cl)ccc2n2c(C1)nnc2[C@@H]1CC[C@H](CC1)Oc1ccccn1 | 31951127 | ||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 5.8 | pKd | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | None | ||||
| 216237 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.5 | pKi | = | 9.5 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 151171 | 1155 | 50 | 3H-Oxytocin | -2 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | 3H-Oxytocin | -2 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | 3H-Oxytocin | -2 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | 3H-Oxytocin | -2 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | 3H-Oxytocin | -2 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | 3H-Oxytocin | -2 | 6 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216237 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | 3H-AVP | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 146681949 | 216051 | 0 | 3H-Oxytocin | -1 | 9 | Rat | 9.3 | pKi | = | 9.3 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Human | 9.1 | pKi | = | 9.1 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 216237 | 3814 | 89 | 3H-AVP | -2 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | 3H-AVP | -2 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | 3H-AVP | -2 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | 3H-AVP | -2 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 46783812 | 216053 | 0 | 3H-AVP | 6 | 3 | Rat | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1182 | 19 | 14 | 16 | -6.7 | CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O | None | ||
| None | 216052 | 0 | 3H-Oxytocin | -83 | 3 | Rat | 7.0 | pKi | = | 7 | Binding | PDSP KiDatabase | 1151 | 20 | 12 | 15 | -2.3 | COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5 | None | ||
| 119376 | 1828 | 48 | 3H-VASOPRESSIN | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 247 | 1828 | 48 | 3H-VASOPRESSIN | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| CHEMBL33884 | 1828 | 48 | 3H-VASOPRESSIN | -54954 | 27 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 393 | 7 | 1 | 6 | 1.6 | O=C(c1cn(c2c1cccc2)C)OCC1CCN(CC1)CCNS(=O)(=O)C | None | ||
| 135409468 | 2022 | 69 | 3H-VASOPRESSIN | -3548 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 333 | 2022 | 69 | 3H-VASOPRESSIN | -3548 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| CHEMBL845 | 2022 | 69 | 3H-VASOPRESSIN | -3548 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 312 | 1 | 2 | 4 | 1.7 | Clc1ccc2c(c1)NC(=c1c(=N2)cccc1)N1CCNCC1 | None | ||
| 114904 | 2933 | 56 | 3H-AVP | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 114904 | 2933 | 56 | 3H-Oxytocin | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 2196 | 2933 | 56 | 3H-AVP | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 2196 | 2933 | 56 | 3H-Oxytocin | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| CHEMBL296908 | 2933 | 56 | 3H-AVP | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| CHEMBL296908 | 2933 | 56 | 3H-Oxytocin | -446 | 7 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | None | ||
| 128563 | 3438 | 33 | 3H-VASOPRESSIN | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 1666 | 3438 | 33 | 3H-VASOPRESSIN | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| CHEMBL445332 | 3438 | 33 | 3H-VASOPRESSIN | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| DB12327 | 3438 | 33 | 3H-VASOPRESSIN | -2398 | 42 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 432 | 3 | 0 | 8 | 3.0 | COC(=O)[C@@H]1C[C@H](OC(=O)C)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)C[C@H](OC1=O)c1cocc1 | None | ||
| 185 | 3975 | 60 | 3H-VASOPRESSIN | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 5311271 | 3975 | 60 | 3H-VASOPRESSIN | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| CHEMBL74355 | 3975 | 60 | 3H-VASOPRESSIN | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| DB16351 | 3975 | 60 | 3H-VASOPRESSIN | -30902 | 38 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 1 | 4 | 3.8 | COc1cccc(c1OC)[C@@H](C1CCN(CC1)CCc1ccc(cc1)F)O | None | ||
| 21830793 | 91806 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| CHEMBL2413154 | 91806 | 10 | 3H-8-OH-DPAT | -66069 | 46 | Bovine | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 373 | 7 | 0 | 8 | 0.6 | COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 | None | ||
| 3663 | 99939 | 83 | 3H-VASOPRESSIN | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| CHEMBL286494 | 99939 | 83 | 3H-VASOPRESSIN | -288 | 29 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 504 | 0 | 6 | 8 | 5.1 | Cc1cc(O)c2c(=O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(=O)c7c(O)cc(C)c8c1c2c(c34)c(c78)c65 | None | ||
| 44208932 | 140682 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| CHEMBL381689 | 140682 | 7 | UNDEFINED | -89125 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 475 | 5 | 1 | 3 | 6.8 | Cc1ccc(Cn2nc(C(=O)NC3C4(C)CCC(C4)C3(C)C)cc2-c2ccc(Cl)c(C)c2)cc1 | None | ||
| 5280343 | 188251 | 124 | 3H-VASOPRESSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL1520590 | 188251 | 124 | 3H-VASOPRESSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL50 | 188251 | 124 | 3H-VASOPRESSIN | -147 | 32 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 302 | 1 | 5 | 7 | 2.0 | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | None | ||
| 5281600 | 203002 | 92 | 3H-VASOPRESSIN | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| CHEMBL63354 | 203002 | 92 | 3H-VASOPRESSIN | -275 | 33 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 538 | 3 | 6 | 10 | 5.1 | O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12 | None | ||
| 1973 | 203460 | 15 | 3H-AVP | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL1394464 | 203460 | 15 | 3H-AVP | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| CHEMBL66089 | 203460 | 15 | 3H-AVP | -3 | 37 | Rat | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 462 | 3 | 1 | 7 | 3.9 | Nc1ncnc2nc(-c3ccc(N4CCOCC4)nc3)cc(-c3cccc(Br)c3)c12 | None | ||
| 4054 | 205478 | 72 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL1699 | 205478 | 72 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| CHEMBL807 | 205478 | 72 | 3H-VASOPRESSIN | -1 | 37 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 179 | 0 | 1 | 1 | 2.7 | CC12CC3CC(C)(C1)CC(N)(C3)C2 | None | ||
| None | 215968 | 0 | 3H-VASOPRESSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 329 | 2 | 0 | 4 | 3.6 | CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl | None | ||
| 6971132 | 215984 | 0 | 3H-VASOPRESSIN | -2570 | 14 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 268 | 1 | 2 | 2 | 2.1 | CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)O | None | ||
| None | 216213 | 0 | 3H-VASOPRESSIN | -95499 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 316 | 7 | 3 | 3 | 3.0 | CC(CF)NCC(COC1=CC=CC2=C1C3=CC=CC=C3N2)O | None | ||
| None | 216285 | 0 | 3H-VASOPRESSIN | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 240 | 7 | 4 | 6 | -0.8 | C(C(C(=O)O)N)SSCC(C(=O)O)N | None | ||
| None | 216286 | 0 | 3H-VASOPRESSIN | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 149 | 4 | 2 | 3 | 0.2 | CSCCC(C(=O)O)N | None | ||
| None | 216287 | 0 | 3H-VASOPRESSIN | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 135 | 3 | 3 | 3 | -0.3 | C(CS)C(C(=O)O)N | None | ||
| None | 216288 | 0 | 3H-VASOPRESSIN | -1 | 34 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 121 | 2 | 3 | 3 | -0.7 | C(C(C(=O)O)N)S | None | ||
| None | 216290 | 0 | 3H-VASOPRESSIN | -1 | 40 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 153 | 3 | 3 | 3 | -1.4 | C(C(C(=O)O)N)S(=O)O | None | ||
| None | 216291 | 0 | 3H-VASOPRESSIN | -1 | 39 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 169 | 3 | 3 | 4 | -1.7 | C(C(C(=O)O)N)S(=O)(=O)O | None | ||
| None | 216292 | 0 | 3H-VASOPRESSIN | -1 | 30 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 183 | 4 | 3 | 4 | -1.3 | C(CS(=O)(=O)O)C(C(=O)O)N | None | ||
| None | 216301 | 0 | 3H-VASOPRESSIN | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 536 | 11 | 1 | 4 | 9.0 | CC(C)C(=O)C12C(=O)C(=C(C(C1=O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C | None | ||
| 4978 | 216302 | 0 | 3H-VASOPRESSIN | -16 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 520 | 1 | 7 | 9 | 4.3 | CC1=CC(=C2C3=C1C4=C5C(=C(C=C4CO)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O | None | ||
| None | 216303 | 0 | 3H-VASOPRESSIN | -3 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 464 | 4 | 8 | 12 | -0.6 | C1=CC(=C(C=C1C2=C(C(=C3C(=CC(=O)C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O | None | ||
| None | 216304 | 0 | 3H-VASOPRESSIN | -281 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 610 | 6 | 10 | 16 | -1.7 | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O | None | ||
| None | 216305 | 0 | 3H-VASOPRESSIN | -1 | 28 | Human | 5.0 | pKi | = | 5 | Binding | PDSP KiDatabase | 448 | 3 | 7 | 11 | 0.4 | CC1C(C(C(C(O1)OC2=C(OC3=CC(=O)C=C(C3=C2O)O)C4=CC(=C(C=C4)O)O)O)O)O | None | ||
| 2042 | 2962 | 58 | 3H-Oxytocin | -63 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | 3H-Oxytocin | -63 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | 3H-Oxytocin | -63 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | 3H-Oxytocin | -63 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | 3H-Oxytocin | -63 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | 3H-Oxytocin | -63 | 8 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2042 | 2962 | 58 | 3H-AVP | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | 3H-AVP | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | 3H-AVP | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | 3H-AVP | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | 3H-AVP | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | 3H-AVP | -831 | 8 | Human | 5.8 | pKi | = | 5.8 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 216158 | 0 | 3H-Oxytocin | -309 | 4 | Rat | 5.7 | pKi | = | 5.7 | Binding | PDSP KiDatabase | 755 | 14 | 5 | 8 | 1.7 | CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Human | 8.7 | pKi | = | 8.7 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| None | 216159 | 0 | 3H-Oxytocin | -64 | 4 | Rat | 6.6 | pKi | = | 6.6 | Binding | PDSP KiDatabase | 780 | 14 | 4 | 9 | 2.2 | CCC(C)C(C(=O)N(C(CC1=CNC2=CC=CC=C21)C=O)C(=O)C3CCCN3C(=O)C(CC4=CC=CCC4(C(=O)N5CCNCC5)C(=O)N6CC=CC=C6)NC)N | None | ||
| 151171 | 1155 | 50 | 3H-AVP | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | 3H-AVP | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | 3H-AVP | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | 3H-AVP | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | 3H-AVP | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | 3H-AVP | -2 | 6 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 146681949 | 216051 | 0 | 3H-AVP | -1 | 9 | Rat | 8.5 | pKi | = | 8.5 | Binding | PDSP KiDatabase | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| None | 216158 | 0 | 3H-Oxytocin | -309 | 4 | Rat | 5.5 | pKi | = | 5.5 | Binding | PDSP KiDatabase | 755 | 14 | 5 | 8 | 1.7 | CC(C=C)C(C(=O)N1CCCCC1(C=O)C(=O)N2CCCCC2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)N | None | ||
| None | 216160 | 0 | 3H-Oxytocin | -676 | 4 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 768 | 14 | 3 | 10 | 2.3 | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N | None | ||
| None | 216052 | 0 | 3H-AVP | -83 | 3 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 1151 | 20 | 12 | 15 | -2.3 | COC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSC3(CCCCC3)CC(=O)N2)C(=O)N4CCCC4C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5 | None | ||
| 119369 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 7.4 | pKi | = | 7.4 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 11169 | 794 | 37 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 131676677 | 794 | 37 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 16681432 | 794 | 37 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 495 | 794 | 37 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| CHEMBL3301668 | 794 | 37 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| DB01282 | 794 | 37 | None | -1 | 2 | Human | 8.3 | pKi | = | 8.3 | Binding | Drug Central | None | None | None | CC[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)CCCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)Cc1ccc(cc1)OC)C | None | ||||
| 119369 | 2588 | 74 | 3H-Oxytocin | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-Oxytocin | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-Oxytocin | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-Oxytocin | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 119369 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-AVP | -1 | 8 | Rat | 8.2 | pKi | = | 8.2 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 133612094 | 216459 | 0 | None | -13 | 5 | Human | 8.2 | pKi | = | 8.2 | Binding | Drug Central | 993 | 18 | 11 | 15 | -3.0 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O | None | ||
| 2042 | 2962 | 58 | 3H-AVP | -63 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | 3H-AVP | -63 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | 3H-AVP | -63 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | 3H-AVP | -63 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | 3H-AVP | -63 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | 3H-AVP | -63 | 8 | Rat | 6.2 | pKi | = | 6.2 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 2042 | 2962 | 58 | None | -63 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 2174 | 2962 | 58 | None | -63 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 2176 | 2962 | 58 | None | -63 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 439302 | 2962 | 58 | None | -63 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| CHEMBL395429 | 2962 | 58 | None | -63 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| DB00107 | 2962 | 58 | None | -63 | 8 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | None | None | None | None | None | ||||
| 46783812 | 216053 | 0 | 3H-Oxytocin | 6 | 3 | Rat | 8.1 | pKi | = | 8.1 | Binding | PDSP KiDatabase | 1182 | 19 | 14 | 16 | -6.7 | CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N.O.O.O | None | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 122172899 | 217677 | 0 | None | -1 | 8 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 151171 | 1155 | 50 | None | -2 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | None | -2 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | None | -2 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | None | -2 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | None | -2 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | None | -2 | 6 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216237 | 3814 | 89 | None | -2 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | None | -2 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | None | -2 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | None | -2 | 5 | Rat | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 146681949 | 216051 | 0 | None | -1 | 9 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| None | 216160 | 0 | 3H-Oxytocin | -676 | 4 | Rat | 6.1 | pKi | = | 6.1 | Binding | PDSP KiDatabase | 768 | 14 | 3 | 10 | 2.3 | CCC(C)C(C(=O)C1(CCCN1C(=O)C(CC2=NC(N=C2)(C(=O)N3CCCCC3)C(=O)N4CCCCC4)N)C=O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N | None | ||
| 216237 | 3814 | 89 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 2226 | 3814 | 89 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 4110 | 3814 | 89 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| CHEMBL344159 | 3814 | 89 | None | 2 | 5 | Human | 8.1 | pKi | = | 8.1 | Binding | Drug Central | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | None | ||
| 122172899 | 217677 | 0 | None | -1 | 8 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1068 | 19 | 14 | 15 | -4.1 | NC(=O)CC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCSSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(N)=O | None | ||
| 146681949 | 216051 | 0 | None | -1 | 9 | Rat | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 1083 | 19 | 14 | 16 | -5.4 | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N | None | ||
| 119369 | 2588 | 74 | 3H-AVP | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 2197 | 2588 | 74 | 3H-AVP | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 4004 | 2588 | 74 | 3H-AVP | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| CHEMBL420762 | 2588 | 74 | 3H-AVP | 1 | 8 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | None | ||
| 151171 | 1155 | 50 | None | -1 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 216322 | 1155 | 50 | None | -1 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 2203 | 1155 | 50 | None | -1 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 732 | 1155 | 50 | None | -1 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| CHEMBL1755 | 1155 | 50 | None | -1 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| DB00872 | 1155 | 50 | None | -1 | 6 | Human | 8.0 | pKi | = | 8.0 | Binding | Drug Central | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | None | ||
| 133612094 | 216459 | 0 | 3H-AVP | -13 | 5 | Human | 6.0 | pKi | = | 6.0 | Binding | PDSP KiDatabase | 993 | 18 | 11 | 15 | -3.0 | CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)C(C)O | None | ||
| 10444 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 139030525 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 145711714 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| CHEMBL4204210 | 2312 | 14 | None | -7 | 3 | Human | 5.8 | pKi | = | 5.8 | Binding | Guide to Pharmacology | 531 | 4 | 2 | 6 | 4.2 | Cc1c(ccc(c1)C(=O)N1Cc2c(Nc3ccccc13)n(nc2)C)CNC(=O)N1CCC[C@H]1C(=S)N(C)C | 30199637 | ||
| 2184 | 1479 | 0 | None | -645 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2184 | 1479 | 0 | None | -645 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | None | None | None | None | 1649739 | ||||
| 2184 | 1479 | 0 | None | -645 | 3 | Human | 5.1 | pKi | = | 5.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2173 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| 3038506 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| CHEMBL332447 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| DB05838 | 2935 | 13 | None | 8 | 2 | Human | 7.0 | pKi | = | 7 | Binding | Guide to Pharmacology | 453 | 5 | 1 | 3 | 5.4 | CC(NC(=O)C[C@H]1CCCN(c2c1cccc2)C(=O)c1ccc(cc1Cl)N1CCCC1)C | 10780976 | ||
| 2236 | 1334 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2236 | 1334 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 3080966 | 1334 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 3080966 | 1334 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2172 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2172 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2959 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2959 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644076 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 644076 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1200690 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| CHEMBL1200690 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB14642 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| DB14642 | 2376 | 0 | None | -7 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 11012895 | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 119369 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 11012895 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 2197 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 11012895 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 4004 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 11012895 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9322919 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL420762 | 2588 | 74 | None | 1 | 8 | Human | 7.8 | pKi | = | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9884074 | ||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2169 | 465 | 0 | None | -31 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2169 | 465 | 0 | None | -31 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 68649 | 465 | 0 | None | -31 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 68649 | 465 | 0 | None | -31 | 5 | Human | 7.9 | pKi | = | 7.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2168 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 2810 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| 644077 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| CHEMBL373742 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10519430 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 10780976 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9864265 | ||||
| DB00067 | 3945 | 38 | None | -15 | 9 | Human | 8.5 | pKi | = | 8.5 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 158348 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10519430 | ||
| 158348 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11012895 | ||
| 158348 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 8981918 | ||
| 158348 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| 158348 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| 2199 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10519430 | ||
| 2199 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11012895 | ||
| 2199 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 8981918 | ||
| 2199 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| 2199 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| CHEMBL4283439 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10519430 | ||
| CHEMBL4283439 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11012895 | ||
| CHEMBL4283439 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 8981918 | ||
| CHEMBL4283439 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| CHEMBL4283439 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| DB14923 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 10519430 | ||
| DB14923 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 11012895 | ||
| DB14923 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 8981918 | ||
| DB14923 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| DB14923 | 3461 | 18 | None | -2 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9884074 | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 11012895 | ||
| 172997 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 9651149 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 11012895 | ||
| 2238 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 9651149 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 11012895 | ||
| CHEMBL49429 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 9651149 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 11012895 | ||
| DB06666 | 2318 | 57 | None | 64 | 2 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | 473 | 3 | 1 | 3 | 6.1 | Fc1ccc(c(c1)C(=O)Nc1ccc(c(c1)Cl)C(=O)N1Cc2cccn2Cc2c1cccc2)C | 9651149 | ||
| 216237 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2226 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 4110 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL344159 | 3814 | 89 | None | 2 | 5 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 151171 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 20471258 | ||
| 216322 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 20471258 | ||
| 2203 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 20471258 | ||
| 732 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 20471258 | ||
| CHEMBL1755 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 20471258 | ||
| DB00872 | 1155 | 50 | None | -1 | 6 | Human | 9.4 | pKi | = | 9.4 | Binding | Guide to Pharmacology | 498 | 4 | 2 | 3 | 6.5 | Cc1[nH]c2c(n1)c1ccccc1N(CC2)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1 | 20471258 | ||
| 8529 | 3329 | 0 | None | -30199 | 3 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 439 | 4 | 0 | 4 | 3.9 | CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C | 25654260 | ||
| 91827367 | 3329 | 0 | None | -30199 | 3 | Human | 4.5 | pKi | > | 4.5 | Binding | Guide to Pharmacology | 439 | 4 | 0 | 4 | 3.9 | CN(CCN1CC(c2c1cc(Cl)cc2)C(=O)N1CCC2(CC1)OCc1c2cccc1)C | 25654260 | ||
| 114904 | 2933 | 56 | None | -1412 | 7 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 9322919 | ||
| 2196 | 2933 | 56 | None | -1412 | 7 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 9322919 | ||
| CHEMBL296908 | 2933 | 56 | None | -1412 | 7 | Human | 4.5 | pKi | None | 4.5 | Binding | Guide to Pharmacology | 449 | 7 | 1 | 4 | 3.2 | CC(=O)NCCCOc1ccc(cc1)C(=O)N1CCC(CC1)N1C(=O)CCc2c1cccc2 | 9322919 | ||
| 2222 | 1341 | 0 | None | -794 | 3 | Human | 5.2 | pKi | None | 5.2 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2209 | 3068 | 0 | None | -707 | 3 | Human | 5.7 | pKi | None | 5.7 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2213 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2213 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 3008 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 3008 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 5311010 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 5311010 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| CHEMBL382301 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL382301 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| DB09059 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB09059 | 517 | 46 | None | -660 | 5 | Human | 5.8 | pKi | None | 5.8 | Binding | Guide to Pharmacology | None | None | None | None | 14722330 | ||||
| 2202 | 2741 | 33 | None | -489 | 5 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| 9895468 | 2741 | 33 | None | -489 | 5 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| CHEMBL582857 | 2741 | 33 | None | -489 | 5 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| DB12643 | 2741 | 33 | None | -489 | 5 | Human | 5.9 | pKi | None | 5.9 | Binding | Guide to Pharmacology | 629 | 8 | 1 | 9 | 2.9 | COc1cc(OC)ccc1S(=O)(=O)N1c2ccc(cc2[C@@](C1=O)(N1C[C@@H](C[C@H]1C(=O)N(C)C)O)c1ccccc1OC)Cl | 11861823 | ||
| 2221 | 1343 | 0 | None | -3981 | 4 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2221 | 1343 | 0 | None | -3981 | 4 | Human | 6.0 | pKi | None | 6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2042 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2174 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2176 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 439302 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| CHEMBL395429 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 12660315 | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| DB00107 | 2962 | 58 | None | -831 | 8 | Human | 6.1 | pKi | None | 6.1 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2188 | 1331 | 0 | None | -316 | 4 | Rat | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2186 | 1330 | 0 | None | -630 | 4 | Rat | 6.3 | pKi | None | 6.3 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2195 | 2891 | 0 | None | -794 | 3 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2204 | 4086 | 5 | None | -1258 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| 9917025 | 4086 | 5 | None | -1258 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| CHEMBL3307200 | 4086 | 5 | None | -1258 | 4 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | 616 | 5 | 1 | 5 | 6.4 | O=C(N1CCC(CC1)N1CCCCC1)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccoc1C | 15661579 | ||
| 2187 | 1329 | 0 | None | -707 | 4 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2210 | 3069 | 0 | None | -398 | 3 | Human | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 119517 | 1462 | 0 | None | -354 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 119517 | 1462 | 0 | None | -354 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2225 | 1462 | 0 | None | -354 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2225 | 1462 | 0 | None | -354 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2208 | 3067 | 0 | None | -281 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2208 | 3067 | 0 | None | -281 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2190 | 1431 | 0 | None | -501 | 4 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2189 | 1432 | 0 | None | -630 | 4 | Rat | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2185 | 1480 | 0 | None | -501 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2211 | 3070 | 0 | None | -398 | 3 | Human | 6.6 | pKi | None | 6.6 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2219 | 1342 | 0 | None | -199 | 4 | Human | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 11337500 | ||||
| 2200 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| 2200 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11012895 | ||
| 2200 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| 2200 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| 2200 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 3482 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| 3482 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11012895 | ||
| 3482 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| 3482 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| 3482 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 60943 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| 60943 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11012895 | ||
| 60943 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| 60943 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| 60943 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| CHEMBL419667 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| CHEMBL419667 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11012895 | ||
| CHEMBL419667 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| CHEMBL419667 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| CHEMBL419667 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| DB13929 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 10866830 | ||
| DB13929 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11012895 | ||
| DB13929 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 11429400 | ||
| DB13929 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9322919 | ||
| DB13929 | 3286 | 46 | None | -177 | 6 | Human | 6.8 | pKi | None | 6.8 | Binding | Guide to Pharmacology | 619 | 7 | 2 | 7 | 3.3 | COc1ccc(cc1OC)S(=O)(=O)N1c2ccc(cc2[C@]([C@@H]1C(=O)N1CCC[C@H]1C(=O)N)(O)c1ccccc1Cl)Cl | 9884074 | ||
| 2223 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 2223 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2223 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 2223 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2223 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 2223 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 6917952 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 6917952 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 6917952 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9264324 | ||||
| 6917952 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6917952 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9459574 | ||||
| 6917952 | 1340 | 0 | None | -79 | 4 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2235 | 1335 | 0 | None | -31 | 2 | Human | 6.9 | pKi | None | 6.9 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2191 | 1433 | 0 | None | -630 | 4 | Rat | 7.0 | pKi | None | 7 | Binding | Guide to Pharmacology | None | None | None | None | 17300166 | ||||
| 2215 | 1332 | 0 | None | -1 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 164712 | 3084 | 0 | None | -50 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2178 | 3084 | 0 | None | -50 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| CHEMBL3272682 | 3084 | 0 | None | -50 | 3 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2237 | 1336 | 0 | None | -19 | 2 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2212 | 3731 | 0 | None | -63 | 3 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2214 | 1333 | 0 | None | -1 | 3 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2214 | 1333 | 0 | None | -1 | 3 | Human | 7.4 | pKi | None | 7.4 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2170 | 1320 | 0 | None | -7 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 7774575 | ||||
| 2170 | 1320 | 0 | None | -7 | 3 | Human | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 119369 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| 119369 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 2197 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| 2197 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 4004 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| 4004 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL420762 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9792651 | ||
| CHEMBL420762 | 2588 | 74 | None | -1 | 8 | Rat | 7.8 | pKi | None | 7.8 | Binding | Guide to Pharmacology | 427 | 4 | 1 | 3 | 5.3 | O=C(N1CCCC(c2c1cccc2)N(C)C)c1ccc(cc1)NC(=O)c1ccccc1C | 9864265 | ||
| 122322 | 1338 | 0 | None | -8 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 122322 | 1338 | 0 | None | -8 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2217 | 1338 | 0 | None | -8 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 2217 | 1338 | 0 | None | -8 | 3 | Human | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 9884074 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2181 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2182 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 27991 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL1429 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL264448 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| DB00035 | 1319 | 42 | None | -14 | 7 | Human | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 15084136 | ||||
| 2170 | 1320 | 0 | None | 7 | 3 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2235 | 1335 | 0 | None | 31 | 2 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 171113 | 3939 | 0 | None | -3 | 3 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2180 | 3939 | 0 | None | -3 | 3 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| CHEMBL3274309 | 3939 | 0 | None | -3 | 3 | Human | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2237 | 1336 | 0 | None | 19 | 2 | Rat | 8.6 | pKi | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2181 | 1319 | 42 | None | 6 | 7 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2182 | 1319 | 42 | None | 6 | 7 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 27991 | 1319 | 42 | None | 6 | 7 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| CHEMBL1429 | 1319 | 42 | None | 6 | 7 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| CHEMBL264448 | 1319 | 42 | None | 6 | 7 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| DB00035 | 1319 | 42 | None | 6 | 7 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 9792651 | ||||
| 2183 | 1501 | 0 | None | 3 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 2183 | 1501 | 0 | None | 3 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 6441676 | 1501 | 0 | None | 3 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12446593 | ||||
| 6441676 | 1501 | 0 | None | 3 | 3 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 9322919 | ||||
| 2229 | 3584 | 0 | None | - | 1 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 11012895 | ||||
| 216237 | 3814 | 89 | None | -2 | 5 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2226 | 3814 | 89 | None | -2 | 5 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 4110 | 3814 | 89 | None | -2 | 5 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| CHEMBL344159 | 3814 | 89 | None | -2 | 5 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 448 | 3 | 2 | 3 | 5.7 | Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C | 9864265 | ||
| 2205 | 4092 | 6 | None | -3 | 5 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| 9810140 | 4092 | 6 | None | -3 | 5 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| CHEMBL307483 | 4092 | 6 | None | -3 | 5 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | 648 | 6 | 1 | 4 | 7.2 | CN(C1CCN(CC1)C(=O)/C=C\1/c2ccccc2N(CCC1(F)F)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1)C | 11429400 | ||
| 2198 | 3394 | 2 | None | 46 | 2 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 16620295 | ||
| 9807249 | 3394 | 2 | None | 46 | 2 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 16620295 | ||
| CHEMBL1192593 | 3394 | 2 | None | 46 | 2 | Human | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | 537 | 4 | 1 | 4 | 6.1 | Clc1cc(ccc1C(=O)N1C[C@H]2COCCN2Cc2c1cccc2)NC(=O)c1ccccc1c1ccccc1 | 16620295 | ||
| 2216 | 1337 | 0 | None | -1 | 2 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 10866830 | ||||
| 158348 | 3461 | 18 | None | 2 | 4 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| 2199 | 3461 | 18 | None | 2 | 4 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| CHEMBL4283439 | 3461 | 18 | None | 2 | 4 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||
| DB14923 | 3461 | 18 | None | 2 | 4 | Rat | 9.3 | pKi | None | 9.3 | Binding | Guide to Pharmacology | 643 | 10 | 1 | 9 | 3.9 | CCOc1ccc2c(c1)[C@@]1(CC[C@H](CC1)OCCN1CCOCC1)C(=O)N2S(=O)(=O)c1ccc(cc1OC)C(=O)NC(C)(C)C | 9792651 | ||