Ligand source activities (1 row/activity)
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
AssayType |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| CHEMBL4127525 | 219801 | 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 | 219795 | 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 | 219815 | 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 | 220084 | 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 | 219808 | 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 | 219825 | 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 | 220088 | 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 | 220077 | 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 | 220072 | 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 | 219787 | 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 | 219807 | 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 | 220079 | 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 | 220078 | 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 | 199694 | 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 | 199694 | 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 | 199694 | 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 | 219824 | 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 | 219819 | 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 | 219792 | 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 | 219796 | 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 | 220068 | 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 | 220082 | 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 | 220074 | 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 | 220095 | 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 | 197628 | 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 | 197628 | 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 | 220093 | 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 | 220081 | 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 | 220083 | 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 | 220087 | 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 | 130154 | 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 | 130154 | 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 | 9328 | 46 | 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 | 9328 | 46 | 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 | 9328 | 46 | 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 | 9328 | 46 | 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 | 130153 | 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 | 130153 | 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 | 75745 | 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 | 75745 | 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 | 88165 | 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 | 88165 | 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 | 168011 | 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 | 168011 | 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 | 93594 | 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 | 93594 | 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 | 174418 | 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 | 174418 | 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 | 130168 | 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 | 130168 | 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 | 209618 | 46 | 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 | 209618 | 46 | 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 | 94726 | 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 | 94726 | 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 | 88177 | 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 | 88177 | 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 | 130125 | 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 | 130125 | 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 | 75770 | 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 | 75770 | 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 | 75743 | 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 | 75743 | 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 | 75744 | 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 | 75744 | 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 | 88180 | 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 | 88180 | 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 | 93593 | 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 | 93593 | 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 | 168010 | 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 | 168010 | 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 | 88175 | 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 | 88175 | 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 | 88157 | 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 | 88157 | 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 | 168012 | 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 | 168012 | 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 | 88179 | 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 | 88179 | 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 | 117084 | 1 | 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 | 117084 | 1 | 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 | 63636 | 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 | 63636 | 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 | 157683 | 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 | 157683 | 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 | 88176 | 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 | 88176 | 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 | 63634 | 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 | 63634 | 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 | 93589 | 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 | 93589 | 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 | 75742 | 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 | 75742 | 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 | 158249 | 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 | 158249 | 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 | 63698 | 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 | 63698 | 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 | 88164 | 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 | 88164 | 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 | 88154 | 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 | 88154 | 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 | 93787 | 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 | 93787 | 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 | 75737 | 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 | 75737 | 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 | 88166 | 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 | 88166 | 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 | 63633 | 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 | 63633 | 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 | 163504 | 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 | 163504 | 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 | 79095 | 12 | 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 | 79095 | 12 | 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 | 88170 | 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 | 88170 | 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 | 88155 | 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 | 88155 | 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 | 93592 | 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 | 93592 | 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 | 63632 | 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 | 63632 | 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 | 88162 | 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 | 88162 | 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 | 88178 | 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 | 88178 | 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 | 75738 | 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 | 75738 | 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 | 63694 | 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 | 63694 | 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 | 191972 | 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 | 191972 | 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 | 63704 | 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 | 63704 | 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 | 160520 | 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 | 160520 | 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 | 93533 | 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 | 93533 | 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 | 63699 | 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 | 63699 | 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 | 63700 | 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 | 63700 | 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 | 88158 | 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 | 88158 | 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 | 63689 | 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 | 63689 | 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 | 130159 | 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 | 130159 | 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 | 63699 | 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 | 63699 | 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 | 88169 | 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 | 88169 | 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 | 88168 | 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 | 88168 | 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 | 88171 | 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 | 88171 | 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 | 63635 | 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 | 63635 | 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 | 88181 | 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 | 88181 | 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 | ||
| 13316 | 9239 | 0 | None | -346 | 4 | Rat | 6.1 | pIC50 | = | 6.1 | Functional | Guide to Pharmacology | None | None | None | None | 38316982 | ||||
| 13316 | 9239 | 0 | None | -17 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 38316982 | ||||
| 8970 | 8731 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 16608883 | ||||
| 11570626 | 9328 | 46 | 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 | 9328 | 46 | 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 | 9328 | 46 | 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 | 9328 | 46 | 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 | 9305 | 0 | None | -24 | 2 | Mouse | 6.6 | pIC50 | = | 6.6 | Functional | Guide to Pharmacology | None | None | None | None | 35710141 | ||||
| 11998 | 9305 | 0 | None | 24 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | None | None | None | None | 35710141 | ||||
| 3542 | 8548 | 0 | None | - | 1 | Rat | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 1128 | 8580 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 155817389 | 8580 | 0 | None | - | 1 | Rat | 6.2 | pIC50 | None | 6.2 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 1130 | 8582 | 0 | None | - | 1 | Rat | 6.8 | pIC50 | None | 6.8 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 1129 | 8581 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| 155817390 | 8581 | 0 | None | - | 1 | Rat | 8.5 | pIC50 | None | 8.5 | Functional | Guide to Pharmacology | None | None | None | None | 9226399 | ||||
| Ligands (move mouse cursor over ligand name to see structure) | Receptor | Assay information | Chemical information | |||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Similar- ity |
Common name |
GPCRdb ID |
#Vendors |
Reference ligand |
Fold selectivity |
# Tested GPCRs |
Species |
p-value (-log) |
Activity Type |
Activity Relation |
Activity Value |
Assay Type |
Assay Description |
Source |
Mol weight |
Rot Bonds |
H don |
H acc |
LogP |
Smiles |
DOI |
| 2540 | 11173 | 111 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL1014 | 11173 | 111 | None | - | 4 | Human | 4.7 | pAC50 | = | 4.7 | Binding | ChEMBL | 610 | 10 | 1 | 11 | 6.3 | CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 | 10.1038/s41467-023-40064-9 | |||
| CHEMBL5072364 | 221058 | 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 | 221304 | 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 | 221182 | 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 | 221868 | 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 | 222065 | 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 | 221651 | 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 | 195010 | 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 | 195010 | 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 | 176605 | 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 | 176605 | 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 | 194021 | 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 | 194021 | 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 | 185762 | 10 | 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 | 185762 | 10 | 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 | 194281 | 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 | 194281 | 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 | 180437 | 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 | 180437 | 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 | 191972 | 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 | 191972 | 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 | 221966 | 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 | 193236 | 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 | 193236 | 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 | 181808 | 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 | 181808 | 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 | 195476 | 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 | 195476 | 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 | 221324 | 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 | 195075 | 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 | 195075 | 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 | 195632 | 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 | 195632 | 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 | 193926 | 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 | 193926 | 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 | 148616 | 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 | 148616 | 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 | 180003 | 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 | 180003 | 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 | 179897 | 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 | 179897 | 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 | 196182 | 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 | 196182 | 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 | 179200 | 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 | 179200 | 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 | 195849 | 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 | 195849 | 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 | 79187 | 46 | 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 | 79187 | 46 | 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 | 197980 | 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 | 197980 | 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 | 181216 | 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 | 181216 | 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 | 200040 | 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 | 200040 | 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 | 196058 | 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 | 196058 | 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 | 180002 | 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 | 180002 | 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 | 192551 | 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 | 192551 | 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 | 194100 | 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 | 194100 | 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 | 179337 | 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 | 179337 | 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 | 190620 | 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 | 190620 | 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 | 193101 | 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 | 193101 | 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 | 176705 | 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 | 176705 | 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 | 221985 | 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 | 195470 | 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 | 195470 | 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 | 90149 | 2 | 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 | 90149 | 2 | 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 | 177713 | 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 | 177713 | 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 | 193926 | 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 | 193926 | 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 | 199403 | 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 | 199403 | 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 | 179556 | 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 | 179556 | 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 | 194054 | 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 | 194054 | 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 | 221353 | 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 | 199261 | 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 | 199261 | 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 | 185853 | 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 | 185853 | 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 | 201171 | 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 | 201171 | 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 | 79187 | 46 | 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 | 79187 | 46 | 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 | 194098 | 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 | 194098 | 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 | 198625 | 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 | 198625 | 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 | 198543 | 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 | 198543 | 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 | 195167 | 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 | 195167 | 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 | 181216 | 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 | 181216 | 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 | 190371 | 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 | 190371 | 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 | 180021 | 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 | 180021 | 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 | 193101 | 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 | 193101 | 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 | 194021 | 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 | 194021 | 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 | 179337 | 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 | 179337 | 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 | 179556 | 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 | 179556 | 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 | 195154 | 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 | 195154 | 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 | 195231 | 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 | 195231 | 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 | 190580 | 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 | 190580 | 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 | 200040 | 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 | 200040 | 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 | 193868 | 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 | 193868 | 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 | 148616 | 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 | 148616 | 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 | 176220 | 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 | 176220 | 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 | 185853 | 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 | 185853 | 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 | 192535 | 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 | 192535 | 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 | 179483 | 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 | 179483 | 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 | 194127 | 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 | 194127 | 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 | 179340 | 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 | 179340 | 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 | 179206 | 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 | 179206 | 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 | 178585 | 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 | 178585 | 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 | 184797 | 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 | 184797 | 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 | 181167 | 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 | 181167 | 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 | 194054 | 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 | 194054 | 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 | 195167 | 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 | 195167 | 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 | 198543 | 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 | 198543 | 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 | 194991 | 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 | 194991 | 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 | 144017 | 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 | 144017 | 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 | 193240 | 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 | 193240 | 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 | 178585 | 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 | 178585 | 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 | 192552 | 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 | 192552 | 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 | 185762 | 10 | 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 | 185762 | 10 | 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 | 76217 | 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 | 76217 | 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 | 76215 | 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 | 76215 | 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 | 76216 | 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 | 76216 | 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 | 76216 | 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 | 76216 | 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 | 76212 | 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 | 76212 | 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 | 76217 | 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 | 76217 | 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 | 76212 | 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 | 76212 | 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 | 8731 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 16608883 | |||||
| 3542 | 8548 | 0 | None | - | 1 | Human | 8.7 | pKd | = | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 7589426 | |||||
| 1126 | 8547 | 0 | None | - | 1 | Rat | 8.6 | pKd | None | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 8795084 | |||||
| 134813898 | 8732 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | |||||
| 8972 | 8732 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | |||||
| 155817505 | 8730 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | |||||
| 8971 | 8730 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | |||||
| 3542 | 8548 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | |||||
| 11429 | 10605 | 0 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 30473097 | |||||
| 156588324 | 10605 | 0 | None | 31 | 2 | Human | 9.9 | pKi | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 30473097 | |||||
| 8973 | 8729 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 26572091 | |||||