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 |
| CHEMBL4127525 | 211265 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4126812 | 211259 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4129347 | 211278 | 0 | None | - | 1 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4226634 | 211547 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4128194 | 211272 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4130225 | 211288 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4227180 | 211551 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4225594 | 211540 | 0 | None | -28 | 3 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4224968 | 211535 | 0 | None | -11 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4126027 | 211251 | 0 | None | -74 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4128125 | 211271 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)CC)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4226185 | 211542 | 0 | None | -41 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4225795 | 211541 | 0 | None | - | 1 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| 163242286 | 192303 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 8.1 | COc1ccc2c(c1-c1cc(F)c(O)c(NCC(C)C)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C | 10.1021/acsmedchemlett.2c00220 | ||
| CHEMBL5196841 | 192303 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 8.1 | COc1ccc2c(c1-c1cc(F)c(O)c(NCC(C)C)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C | 10.1021/acsmedchemlett.2c00220 | ||
| CHEMBL5222174 | 192303 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 504 | 8 | 2 | 4 | 8.1 | COc1ccc2c(c1-c1cc(F)c(O)c(NCC(C)C)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C | 10.1021/acsmedchemlett.2c00220 | ||
| CHEMBL4130148 | 211287 | 0 | None | -37 | 3 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4130044 | 211282 | 0 | None | -3388 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4126738 | 211256 | 0 | None | -70 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)[C@H](CCN[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4126953 | 211260 | 0 | None | -74 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)CC)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.8b00292 | ||||
| CHEMBL4224701 | 211531 | 0 | None | -30 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4226514 | 211545 | 0 | None | -144 | 3 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4225340 | 211537 | 0 | None | -69 | 3 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4229251 | 211558 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| 163242274 | 190245 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 5 | 1 | 3 | 7.3 | COc1ccc2c(c1-c1cc(C)c(O)c(F)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C | 10.1021/acsmedchemlett.2c00220 | ||
| CHEMBL5184469 | 190245 | 0 | None | - | 1 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 447 | 5 | 1 | 3 | 7.3 | COc1ccc2c(c1-c1cc(C)c(O)c(F)c1)CCN(C(C)c1ccc(C(C)C)cc1)[C@@H]2C | 10.1021/acsmedchemlett.2c00220 | ||
| CHEMBL4227861 | 211556 | 0 | None | -38 | 3 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4226451 | 211544 | 0 | None | -371 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)CN(C)C(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4226613 | 211546 | 0 | None | -288 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL4227045 | 211550 | 0 | None | -316 | 3 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.bmc.2017.10.047 | ||||
| 122189709 | 122847 | 0 | None | -239 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 643 | 12 | 2 | 5 | 8.7 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616688 | 122847 | 0 | None | -239 | 2 | Human | 6.0 | pIC50 | = | 6 | Functional | ChEMBL | 643 | 12 | 2 | 5 | 8.7 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11570626 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
| 9135 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
| CHEMBL1933349 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
| DB12044 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 10.1021/jm300579z | ||
| 122189708 | 122846 | 0 | None | -213 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 659 | 13 | 2 | 6 | 8.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616687 | 122846 | 0 | None | -213 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 659 | 13 | 2 | 6 | 8.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 57403703 | 68613 | 0 | None | -41 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 618 | 8 | 2 | 8 | 5.9 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1cccc(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922842 | 68613 | 0 | None | -41 | 3 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 618 | 8 | 2 | 8 | 5.9 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1cccc(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 11585452 | 80964 | 0 | None | -47 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 641 | 9 | 2 | 5 | 8.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159338 | 80964 | 0 | None | -47 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 641 | 9 | 2 | 5 | 8.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)ccc2c1 | 10.1021/jm300579z | ||
| 11950972 | 160673 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 601 | 6 | 3 | 7 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCOc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL411832 | 160673 | 0 | None | -3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 601 | 6 | 3 | 7 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCOc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11952214 | 86377 | 0 | None | -6 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 584 | 7 | 2 | 6 | 6.0 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL232242 | 86377 | 0 | None | -6 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 584 | 7 | 2 | 6 | 6.0 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 44431020 | 167067 | 0 | None | -123 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 573 | 7 | 3 | 3 | 7.3 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL430163 | 167067 | 0 | None | -123 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 573 | 7 | 3 | 3 | 7.3 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 122189722 | 122861 | 0 | None | -295 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc(C(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616701 | 122861 | 0 | None | -295 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc(C(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 16100296 | 201142 | 40 | None | -23 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL62444 | 201142 | 40 | None | -23 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11952211 | 87509 | 0 | None | -1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 589 | 8 | 3 | 4 | 6.9 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL234087 | 87509 | 0 | None | -1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 589 | 8 | 3 | 4 | 6.9 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 60171059 | 80976 | 0 | None | -407 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 621 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159349 | 80976 | 0 | None | -407 | 4 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 621 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(C(F)(F)F)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 122189577 | 122818 | 0 | None | -588 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 699 | 12 | 2 | 6 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616588 | 122818 | 0 | None | -588 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 699 | 12 | 2 | 6 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 54765285 | 68638 | 0 | None | -128 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 612 | 13 | 2 | 4 | 8.1 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922933 | 68638 | 0 | None | -128 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 612 | 13 | 2 | 4 | 8.1 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 54765284 | 68611 | 0 | None | -165 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 618 | 8 | 2 | 8 | 5.9 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922840 | 68611 | 0 | None | -165 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 618 | 8 | 2 | 8 | 5.9 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 57391489 | 68612 | 0 | None | -141 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 634 | 9 | 2 | 9 | 5.7 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1cccc(OC(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922841 | 68612 | 0 | None | -141 | 3 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 634 | 9 | 2 | 9 | 5.7 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1cccc(OC(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 60171062 | 80979 | 0 | None | -104 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159352 | 80979 | 0 | None | -104 | 2 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 11950795 | 86376 | 0 | None | -1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 603 | 8 | 3 | 4 | 7.3 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL232241 | 86376 | 0 | None | -1 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 603 | 8 | 3 | 4 | 7.3 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11950794 | 160672 | 0 | None | -5 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 599 | 6 | 3 | 6 | 6.9 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL411831 | 160672 | 0 | None | -5 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 599 | 6 | 3 | 6 | 6.9 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 60170970 | 80974 | 0 | None | -199 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159347 | 80974 | 0 | None | -199 | 4 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 11678967 | 80956 | 0 | None | -29 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(OC(F)(F)F)cccc3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159330 | 80956 | 0 | None | -29 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(OC(F)(F)F)cccc3c2)cc1 | 10.1021/jm300579z | ||
| 11949739 | 160674 | 0 | None | -57 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 641 | 7 | 3 | 3 | 8.1 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL411833 | 160674 | 0 | None | -57 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 641 | 7 | 3 | 3 | 8.1 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 60171061 | 80978 | 0 | None | -114 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 611 | 12 | 2 | 6 | 7.6 | CCCOc1cc(Cl)cc(-c2cc(-c3ccc4cc(OC)ccc4c3)n([C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)n2)c1 | 10.1021/jm300579z | ||
| CHEMBL2159351 | 80978 | 0 | None | -114 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 611 | 12 | 2 | 6 | 7.6 | CCCOc1cc(Cl)cc(-c2cc(-c3ccc4cc(OC)ccc4c3)n([C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)n2)c1 | 10.1021/jm300579z | ||
| 53469443 | 109805 | 0 | None | -63 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 651 | 8 | 2 | 6 | 7.6 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238246 | 109805 | 0 | None | -63 | 3 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 651 | 8 | 2 | 6 | 7.6 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10324097 | 56552 | 0 | None | -15 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643955 | 56552 | 0 | None | -15 | 2 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11950971 | 150359 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 605 | 8 | 3 | 5 | 6.8 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCOc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL395759 | 150359 | 0 | None | -2 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 605 | 8 | 3 | 5 | 6.8 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCOc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 60170971 | 80975 | 0 | None | -263 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159348 | 80975 | 0 | None | -263 | 3 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 10436553 | 56550 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 515 | 9 | 2 | 5 | 5.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643953 | 56550 | 0 | None | 1 | 2 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 515 | 9 | 2 | 5 | 5.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11950075 | 86372 | 0 | None | -9 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 9 | 2 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL232224 | 86372 | 0 | None | -9 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 588 | 9 | 2 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Cc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11444850 | 68610 | 0 | None | -54 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 606 | 8 | 2 | 8 | 6.1 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C(C)(C)C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922839 | 68610 | 0 | None | -54 | 3 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 606 | 8 | 2 | 8 | 6.1 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C(C)(C)C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 11952035 | 150926 | 0 | None | -3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 585 | 6 | 3 | 6 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL396215 | 150926 | 0 | None | -3 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 585 | 6 | 3 | 6 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 10053841 | 56614 | 0 | None | -85 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 573 | 7 | 2 | 7 | 6.2 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644182 | 56614 | 0 | None | -85 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 573 | 7 | 2 | 7 | 6.2 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 57518490 | 80963 | 0 | None | -56 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 641 | 9 | 2 | 5 | 8.4 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159337 | 80963 | 0 | None | -56 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 641 | 9 | 2 | 5 | 8.4 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)ccc2c1 | 10.1021/jm300579z | ||
| 60170767 | 80953 | 0 | None | -54 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 585 | 11 | 2 | 5 | 7.2 | CCCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1Cl | 10.1021/jm300579z | ||
| CHEMBL2159327 | 80953 | 0 | None | -54 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 585 | 11 | 2 | 5 | 7.2 | CCCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1Cl | 10.1021/jm300579z | ||
| 11952394 | 86570 | 0 | None | -660 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 569 | 5 | 3 | 5 | 6.9 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL232448 | 86570 | 0 | None | -660 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 569 | 5 | 3 | 5 | 6.9 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(Cl)cc(Cl)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11331120 | 68605 | 0 | None | -81 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 634 | 9 | 2 | 9 | 5.7 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922834 | 68605 | 0 | None | -81 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 634 | 9 | 2 | 9 | 5.7 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 11585375 | 80965 | 0 | None | -30 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 625 | 8 | 2 | 4 | 8.5 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(C(F)(F)F)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159339 | 80965 | 0 | None | -30 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 625 | 8 | 2 | 4 | 8.5 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(C(F)(F)F)ccc2c1 | 10.1021/jm300579z | ||
| 53323247 | 56549 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 6.2 | O=C(O)c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643952 | 56549 | 0 | None | -2 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 444 | 6 | 1 | 4 | 6.2 | O=C(O)c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11949740 | 156172 | 0 | None | -194 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 637 | 5 | 3 | 5 | 7.6 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL407028 | 156172 | 0 | None | -194 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 637 | 5 | 3 | 5 | 7.6 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 10054055 | 71961 | 11 | None | -7 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 585 | 6 | 2 | 6 | 6.2 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198387 | 71961 | 11 | None | -7 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 585 | 6 | 2 | 6 | 6.2 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 60170857 | 80969 | 0 | None | -56 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 599 | 9 | 2 | 4 | 8.6 | CC(C)c1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159342 | 80969 | 0 | None | -56 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 599 | 9 | 2 | 4 | 8.6 | CC(C)c1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 11699553 | 80954 | 0 | None | -72 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccccc3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159328 | 80954 | 0 | None | -72 | 2 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccccc3c2)cc1 | 10.1021/jm300579z | ||
| 11952035 | 86375 | 0 | None | -10 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 585 | 6 | 3 | 6 | 6.5 | CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL232239 | 86375 | 0 | None | -10 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 585 | 6 | 3 | 6 | 6.5 | CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 23550062 | 56548 | 0 | None | -3 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 559 | 7 | 3 | 6 | 6.0 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643951 | 56548 | 0 | None | -3 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 559 | 7 | 3 | 6 | 6.0 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| 60170855 | 80961 | 0 | None | -15 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 599 | 11 | 2 | 5 | 7.8 | CCCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1Cl | 10.1021/jm300579z | ||
| CHEMBL2159335 | 80961 | 0 | None | -15 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 599 | 11 | 2 | 5 | 7.8 | CCCOc1ccc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1Cl | 10.1021/jm300579z | ||
| 60171060 | 80977 | 0 | None | -158 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 583 | 10 | 2 | 6 | 6.9 | COc1cc(Cl)cc(-c2cc(-c3ccc4cc(OC)ccc4c3)n([C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)n2)c1 | 10.1021/jm300579z | ||
| CHEMBL2159350 | 80977 | 0 | None | -158 | 2 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 583 | 10 | 2 | 6 | 6.9 | COc1cc(Cl)cc(-c2cc(-c3ccc4cc(OC)ccc4c3)n([C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)n2)c1 | 10.1021/jm300579z | ||
| 11456187 | 68606 | 2 | None | -40 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 600 | 9 | 2 | 9 | 5.4 | CCCOc1cc(Cl)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922835 | 68606 | 2 | None | -40 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 600 | 9 | 2 | 9 | 5.4 | CCCOc1cc(Cl)cc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 11757679 | 56610 | 0 | None | -54 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 567 | 7 | 2 | 7 | 6.6 | CC(C)(C)[C@H]1CC[C@H](c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644178 | 56610 | 0 | None | -54 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 567 | 7 | 2 | 7 | 6.6 | CC(C)(C)[C@H]1CC[C@H](c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| 164616962 | 184600 | 0 | None | -141 | 6 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 3433 | 123 | 50 | 46 | -9.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4857523 | 184600 | 0 | None | -141 | 6 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 3433 | 123 | 50 | 46 | -9.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.0c02069 | ||
| 10077369 | 56620 | 0 | None | -14 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 603 | 8 | 2 | 8 | 6.4 | CC(c1ccc(C(=O)Nc2nn[nH]n2)cc1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644188 | 56620 | 0 | None | -14 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 603 | 8 | 2 | 8 | 6.4 | CC(c1ccc(C(=O)Nc2nn[nH]n2)cc1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11952211 | 153195 | 0 | None | -7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 589 | 8 | 3 | 4 | 6.9 | CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL398180 | 153195 | 0 | None | -7 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 589 | 8 | 3 | 4 | 6.9 | CC(C)(C)[C@H]1CC[C@@H](N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11952213 | 86317 | 0 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 570 | 6 | 2 | 6 | 6.1 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL232037 | 86317 | 0 | None | -2 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 570 | 6 | 2 | 6 | 6.1 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)Nc4nn[nH]n4)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 9985625 | 56615 | 0 | None | -89 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm300579z | ||
| CHEMBL1644183 | 56615 | 0 | None | -89 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm300579z | ||
| 10415723 | 56616 | 0 | None | -63 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 573 | 7 | 2 | 7 | 6.2 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644184 | 56616 | 0 | None | -63 | 2 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 573 | 7 | 2 | 7 | 6.2 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11657413 | 80957 | 0 | None | -44 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cc(OC(F)(F)F)ccc3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159331 | 80957 | 0 | None | -44 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cc(OC(F)(F)F)ccc3c2)cc1 | 10.1021/jm300579z | ||
| 11756248 | 56605 | 0 | None | -6 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 515 | 9 | 2 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(Cc2cn(-c3ccc(OC(F)(F)F)cc3)nc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644173 | 56605 | 0 | None | -6 | 2 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 515 | 9 | 2 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(Cc2cn(-c3ccc(OC(F)(F)F)cc3)nc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 122189714 | 122852 | 0 | None | -301 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 713 | 13 | 2 | 6 | 9.3 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616693 | 122852 | 0 | None | -301 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 713 | 13 | 2 | 6 | 9.3 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 9985625 | 56615 | 0 | None | -89 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644183 | 56615 | 0 | None | -89 | 5 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 60170856 | 80968 | 0 | None | -128 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159341 | 80968 | 0 | None | -128 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 11527207 | 80967 | 0 | None | -81 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 591 | 8 | 2 | 4 | 8.1 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(Cl)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159340 | 80967 | 0 | None | -81 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 591 | 8 | 2 | 4 | 8.1 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(Cl)ccc2c1 | 10.1021/jm300579z | ||
| 11592461 | 80970 | 0 | None | -64 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 601 | 10 | 2 | 5 | 7.9 | CCOc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159343 | 80970 | 0 | None | -64 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 601 | 10 | 2 | 5 | 7.9 | CCOc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 10097880 | 56551 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643954 | 56551 | 0 | None | -1 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(C3CCCCC3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11621378 | 80980 | 3 | None | -131 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 605 | 9 | 2 | 5 | 7.4 | COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159353 | 80980 | 3 | None | -131 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 605 | 9 | 2 | 5 | 7.4 | COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 8970 | 1911 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 16608883 | ||||
| 11570626 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 22708876 | ||
| 9135 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 22708876 | ||
| CHEMBL1933349 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 22708876 | ||
| DB12044 | 2503 | 40 | None | -63 | 9 | Human | 6.0 | pIC50 | = | 6.0 | Functional | Guide to Pharmacology | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2c(c1)ccc(c2)c1cc(nn1[C@H](c1ccc(cc1)C(=O)NCCC(=O)O)C)c1cc(Cl)cc(c1)Cl | 22708876 | ||
| 11998 | 2481 | 0 | None | -24 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 35710141 | ||||
| 11998 | 2481 | 0 | None | 24 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | None | None | None | None | 35710141 | ||||
| 3542 | 1728 | 0 | None | - | 1 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 1128 | 1761 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 155817389 | 1761 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 1130 | 1763 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 1129 | 1762 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 155817390 | 1762 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 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 |
| CHEMBL5072364 | 212498 | 0 | None | - | 0 | Human | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C | nan | ||||
| CHEMBL5077951 | 212744 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C | nan | ||||
| CHEMBL5075905 | 212622 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C | nan | ||||
| CHEMBL5087366 | 213305 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)[C@@H](C)CC | nan | ||||
| CHEMBL5090950 | 213502 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C | nan | ||||
| CHEMBL5083589 | 213090 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(C)C | nan | ||||
| 11410779 | 187638 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 592 | 9 | 2 | 8 | 6.5 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OCc3ccccc3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL499372 | 187638 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 592 | 9 | 2 | 8 | 6.5 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OCc3ccccc3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 22496431 | 169248 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 9.6 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL443971 | 169248 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 9.6 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 | 10.1021/jm8016249 | ||
| 22496459 | 186649 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL492605 | 186649 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 9985258 | 178395 | 9 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL470729 | 178395 | 9 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496373 | 186909 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.4 | O=C(O)CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C2CCCc3ccccc32)cc1 | 10.1021/jm8016249 | ||
| CHEMBL494248 | 186909 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.4 | O=C(O)CCNC(=O)c1ccc(CN(c2nc(-c3ccc(Cl)c(Cl)c3)cs2)C2CCCc3ccccc32)cc1 | 10.1021/jm8016249 | ||
| 10167904 | 173076 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 10 | 4 | 5 | 6.8 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL453457 | 173076 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 615 | 10 | 4 | 5 | 6.8 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 164616962 | 184600 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3433 | 123 | 50 | 46 | -9.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4857523 | 184600 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3433 | 123 | 50 | 46 | -9.0 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL5088990 | 213403 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C | nan | ||||
| 9914410 | 185865 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 513 | 9 | 4 | 4 | 5.1 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccccc2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL487662 | 185865 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 513 | 9 | 4 | 4 | 5.1 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccccc2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 9916972 | 174447 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 613 | 10 | 4 | 5 | 6.2 | COc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)cc(C(F)(F)F)c1 | 10.1021/jm7015599 | ||
| CHEMBL456738 | 174447 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 613 | 10 | 4 | 5 | 6.2 | COc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)cc(C(F)(F)F)c1 | 10.1021/jm7015599 | ||
| 10282370 | 188102 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 608 | 9 | 4 | 5 | 6.0 | N#Cc1ccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)cc1C(F)(F)F | 10.1021/jm7015599 | ||
| CHEMBL504245 | 188102 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 608 | 9 | 4 | 5 | 6.0 | N#Cc1ccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)cc1C(F)(F)F | 10.1021/jm7015599 | ||
| CHEMBL5078233 | 212763 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C | nan | ||||
| 11169089 | 187702 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 570 | 8 | 2 | 8 | 6.3 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OC3CCCC3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL500315 | 187702 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 570 | 8 | 2 | 8 | 6.3 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(OC3CCCC3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 22496365 | 188256 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 8.2 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL506800 | 188256 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 621 | 11 | 2 | 6 | 8.2 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496384 | 186554 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 7.1 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL491920 | 186554 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 7.1 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10257357 | 141294 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 565 | 9 | 3 | 3 | 7.4 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL386446 | 141294 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 565 | 9 | 3 | 3 | 7.4 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 10282059 | 172643 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 593 | 9 | 4 | 4 | 5.9 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cccc(Br)c2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL452311 | 172643 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 593 | 9 | 4 | 4 | 5.9 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cccc(Br)c2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 10369510 | 172538 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 523 | 8 | 4 | 4 | 5.1 | Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)c1 | 10.1021/jm7015599 | ||
| CHEMBL452067 | 172538 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 523 | 8 | 4 | 4 | 5.1 | Cc1cc(C)cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)c1 | 10.1021/jm7015599 | ||
| 44561438 | 188804 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 516 | 7 | 2 | 8 | 5.0 | COc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL513067 | 188804 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 516 | 7 | 2 | 8 | 5.0 | COc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C | 10.1016/j.bmcl.2008.05.072 | ||
| 10282162 | 171845 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 599 | 9 | 4 | 4 | 6.2 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL447684 | 171845 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 599 | 9 | 4 | 4 | 6.2 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 10145603 | 188472 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 611 | 10 | 4 | 5 | 6.1 | COc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)cc(C(F)(F)F)c1 | 10.1021/jm7015599 | ||
| CHEMBL509710 | 188472 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 611 | 10 | 4 | 5 | 6.1 | COc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)cc(C(F)(F)F)c1 | 10.1021/jm7015599 | ||
| 16100296 | 72052 | 40 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm7015599 | ||
| CHEMBL198736 | 72052 | 40 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm7015599 | ||
| 44561439 | 190597 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 8 | 2 | 8 | 5.3 | CCOc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL518939 | 190597 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 530 | 8 | 2 | 8 | 5.3 | CCOc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C | 10.1016/j.bmcl.2008.05.072 | ||
| 22496449 | 173855 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 10 | 2 | 6 | 7.8 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL455323 | 173855 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 629 | 10 | 2 | 6 | 7.8 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496557 | 192648 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 581 | 10 | 2 | 5 | 7.8 | Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1C(C)C | 10.1021/jm8016249 | ||
| CHEMBL523847 | 192648 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 581 | 10 | 2 | 5 | 7.8 | Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1C(C)C | 10.1021/jm8016249 | ||
| 44561556 | 188680 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 6.3 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL511964 | 188680 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 6.3 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 10145290 | 172642 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 595 | 10 | 3 | 4 | 7.0 | CO[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1)C(=O)O | 10.1021/jm7015599 | ||
| CHEMBL452310 | 172642 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 595 | 10 | 3 | 4 | 7.0 | CO[C@H](CNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1)C(=O)O | 10.1021/jm7015599 | ||
| 10210150 | 185180 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 573 | 9 | 4 | 5 | 5.3 | CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCC(O)C(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL486650 | 185180 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 573 | 9 | 4 | 5 | 5.3 | CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCC(O)C(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm7015599 | ||
| 22496448 | 186728 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 574 | 10 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL493020 | 186728 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 574 | 10 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496457 | 171980 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.6 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL448561 | 171980 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.6 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 11249762 | 183249 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.7 | CCCOc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL480692 | 183249 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.7 | CCCOc1ccc2c(c1)nc(N(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)[C@H]1CC[C@H](C(C)(C)C)CC1)n2C | 10.1016/j.bmcl.2008.05.072 | ||
| 10032265 | 185730 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL487476 | 185730 | 1 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 22496371 | 169348 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 605 | 10 | 2 | 5 | 8.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL444126 | 169348 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 605 | 10 | 2 | 5 | 8.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL5089388 | 213422 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C)C(C)C)C(C)C | nan | ||||
| 11764614 | 188096 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 631 | 8 | 4 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NC[C@H](O)C(=O)O)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1021/jm7015599 | ||
| CHEMBL504156 | 188096 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 631 | 8 | 4 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NC[C@H](O)C(=O)O)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1021/jm7015599 | ||
| 16100334 | 82947 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 9 | 3 | 4 | 6.3 | CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL219384 | 82947 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 9 | 3 | 4 | 6.3 | CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm7015599 | ||
| 10211765 | 170357 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 659 | 9 | 4 | 4 | 6.8 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL445532 | 170357 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 659 | 9 | 4 | 4 | 6.8 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 22496384 | 186554 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 7.1 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL491920 | 186554 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 558 | 9 | 2 | 4 | 7.1 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 9871912 | 192014 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 10 | 2 | 5 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccccc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL521650 | 192014 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 537 | 10 | 2 | 5 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C3=CCCCC3)cc2)c2nc(-c3ccccc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496477 | 172198 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL451288 | 172198 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10257629 | 186682 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.5 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL492813 | 186682 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.5 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL5078651 | 212792 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(C)C)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)O)C(C)C | nan | ||||
| 10280734 | 191874 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 547 | 9 | 4 | 4 | 5.7 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL520893 | 191874 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 547 | 9 | 4 | 4 | 5.7 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 10030697 | 178486 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL471580 | 178486 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10144347 | 192919 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 561 | 10 | 4 | 5 | 5.9 | CSc1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1 | 10.1021/jm7015599 | ||
| CHEMBL528775 | 192919 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 561 | 10 | 4 | 5 | 5.9 | CSc1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1 | 10.1021/jm7015599 | ||
| 16100296 | 72052 | 40 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm7015599 | ||
| CHEMBL198736 | 72052 | 40 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm7015599 | ||
| 22496358 | 186726 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 574 | 10 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL493019 | 186726 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 574 | 10 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10144925 | 191240 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NC[C@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL519903 | 191240 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NC[C@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 10053886 | 191158 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL519776 | 191158 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10393937 | 187794 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 609 | 10 | 2 | 6 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL501628 | 187794 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 609 | 10 | 2 | 6 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496449 | 173855 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 10 | 2 | 6 | 7.8 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL455323 | 173855 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 10 | 2 | 6 | 7.8 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 11376210 | 183000 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.7 | CCCOc1ccc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2c1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL480113 | 183000 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 544 | 9 | 2 | 8 | 5.7 | CCCOc1ccc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2c1 | 10.1016/j.bmcl.2008.05.072 | ||
| 10211943 | 172661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 675 | 11 | 4 | 7 | 5.4 | CS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)ccc1OC(F)(F)F | 10.1021/jm7015599 | ||
| CHEMBL452451 | 172661 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 675 | 11 | 4 | 7 | 5.4 | CS(=O)(=O)c1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3=CCCCC3)cc2)ccc1OC(F)(F)F | 10.1021/jm7015599 | ||
| 10032265 | 185730 | 1 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL487476 | 185730 | 1 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 22496459 | 186649 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL492605 | 186649 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496457 | 171980 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.6 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL448561 | 171980 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.6 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496477 | 172198 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL451288 | 172198 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 42617999 | 187781 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 624 | 10 | 3 | 6 | 6.3 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL501392 | 187781 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 624 | 10 | 3 | 6 | 6.3 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496546 | 187858 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 649 | 10 | 2 | 5 | 8.8 | Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)ccc1C(C)C | 10.1021/jm8016249 | ||
| CHEMBL502694 | 187858 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 649 | 10 | 2 | 5 | 8.8 | Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)ccc1C(C)C | 10.1021/jm8016249 | ||
| 11599295 | 183209 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 6.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL480501 | 183209 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 554 | 6 | 2 | 7 | 6.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 22496557 | 192648 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 581 | 10 | 2 | 5 | 7.8 | Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1C(C)C | 10.1021/jm8016249 | ||
| CHEMBL523847 | 192648 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 581 | 10 | 2 | 5 | 7.8 | Cc1cc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)ccc1C(C)C | 10.1021/jm8016249 | ||
| 20775916 | 186496 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 7.1 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL491352 | 186496 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 7.1 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10257357 | 141294 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 565 | 9 | 3 | 3 | 7.4 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL386446 | 141294 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 565 | 9 | 3 | 3 | 7.4 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 20776097 | 168863 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.9 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL442651 | 168863 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 613 | 9 | 2 | 5 | 7.9 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10030697 | 178486 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL471580 | 178486 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10231964 | 185164 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NCC(O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL486634 | 185164 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 581 | 9 | 4 | 4 | 6.4 | O=C(NCC(O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 22496412 | 172125 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 593 | 10 | 2 | 5 | 8.6 | CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C4=CCCCC4)cc3)n2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL450411 | 172125 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 593 | 10 | 2 | 5 | 8.6 | CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C4=CCCCC4)cc3)n2)cc1 | 10.1021/jm8016249 | ||
| 22496395 | 186755 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 9 | 2 | 5 | 7.9 | CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL493233 | 186755 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 569 | 9 | 2 | 5 | 7.9 | CC(C)(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C(C)(C)C)cc3)n2)cc1 | 10.1021/jm8016249 | ||
| 20776096 | 171983 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 629 | 10 | 2 | 6 | 7.8 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL448584 | 171983 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 629 | 10 | 2 | 6 | 7.8 | O=C(O)CCNC(=O)c1ccc(N(Cc2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10144633 | 171851 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 571 | 9 | 4 | 4 | 6.4 | CC(C)(C)c1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1 | 10.1021/jm7015599 | ||
| CHEMBL447742 | 171851 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 571 | 9 | 4 | 4 | 6.4 | CC(C)(C)c1cccc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)c2ccc(C3CCCCC3)cc2)c1 | 10.1021/jm7015599 | ||
| 22496445 | 171230 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 10 | 2 | 6 | 6.7 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL446821 | 171230 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 581 | 10 | 2 | 6 | 6.7 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 22496451 | 177434 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 625 | 10 | 2 | 6 | 8.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(SC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL464663 | 177434 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 625 | 10 | 2 | 6 | 8.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(SC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10168348 | 173806 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 643 | 9 | 4 | 6 | 6.1 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL455214 | 173806 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 643 | 9 | 4 | 6 | 6.1 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2ccc3c(c2)C(F)(F)OC(F)(F)O3)c2ccc(C3=CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 10257629 | 186682 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.5 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL492813 | 186682 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 579 | 9 | 2 | 5 | 7.5 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCCC3)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10393937 | 187794 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 609 | 10 | 2 | 6 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL501628 | 187794 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 609 | 10 | 2 | 6 | 7.3 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10053886 | 191158 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL519776 | 191158 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 575 | 10 | 2 | 6 | 6.9 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 11764615 | 187619 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 8 | 4 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1021/jm7015599 | ||
| CHEMBL499160 | 187619 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 631 | 8 | 4 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1021/jm7015599 | ||
| 16100300 | 136702 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 615 | 8 | 3 | 3 | 7.6 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1021/jm7015599 | ||
| CHEMBL375167 | 136702 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 615 | 8 | 3 | 3 | 7.6 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 | 10.1021/jm7015599 | ||
| 10232009 | 185869 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 583 | 9 | 4 | 4 | 6.5 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL487668 | 185869 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 583 | 9 | 4 | 4 | 6.5 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm7015599 | ||
| 22496445 | 171230 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 581 | 10 | 2 | 6 | 6.7 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL446821 | 171230 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 581 | 10 | 2 | 6 | 6.7 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 10483282 | 185181 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 577 | 8 | 4 | 4 | 5.8 | Cc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc(C(F)(F)F)c1 | 10.1021/jm7015599 | ||
| CHEMBL486651 | 185181 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 577 | 8 | 4 | 4 | 5.8 | Cc1cc(NC(=O)N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc(C(F)(F)F)c1 | 10.1021/jm7015599 | ||
| 9985258 | 178395 | 9 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL470729 | 178395 | 9 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 559 | 9 | 2 | 5 | 7.0 | O=C(O)CCNC(=O)c1ccc(CN(c2ccc(C(F)(F)F)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 57393426 | 69084 | 0 | None | -30 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 9 | 3 | 5 | 5.4 | O=C(O)CCNC(=O)c1ccc(C(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933365 | 69084 | 0 | None | -30 | 3 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 500 | 9 | 3 | 5 | 5.4 | O=C(O)CCNC(=O)c1ccc(C(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57393425 | 69082 | 0 | None | -54 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 474 | 10 | 3 | 5 | 5.0 | CCCC(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933363 | 69082 | 0 | None | -54 | 3 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 474 | 10 | 3 | 5 | 5.0 | CCCC(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57391686 | 69083 | 0 | None | -44 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 528 | 10 | 3 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(C(CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933364 | 69083 | 0 | None | -44 | 3 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 528 | 10 | 3 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(C(CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57391686 | 69083 | 0 | None | -44 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 528 | 10 | 3 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(C(CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933364 | 69083 | 0 | None | -44 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 528 | 10 | 3 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(C(CCC(F)(F)F)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57396928 | 69079 | 0 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933360 | 69079 | 0 | None | -11 | 3 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57393426 | 69084 | 0 | None | -30 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 500 | 9 | 3 | 5 | 5.4 | O=C(O)CCNC(=O)c1ccc(C(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933365 | 69084 | 0 | None | -30 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 500 | 9 | 3 | 5 | 5.4 | O=C(O)CCNC(=O)c1ccc(C(Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C2CCCC2)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57396928 | 69079 | 0 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933360 | 69079 | 0 | None | -11 | 3 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 8970 | 1911 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 16608883 | ||||
| 3542 | 1728 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7589426 | ||||
| 1126 | 1729 | 0 | None | - | 1 | Rat | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795084 | ||||
| 134813898 | 1912 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | ||||
| 8972 | 1912 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | ||||
| 155817505 | 1910 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | ||||
| 8971 | 1910 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | ||||
| 3542 | 1728 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | ||||
| 11429 | 3761 | 0 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 30473097 | ||||
| 156588324 | 3761 | 0 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 30473097 | ||||
| 8973 | 1909 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | ||||