Ligand source activities (1 row/activity)
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Potency) |
# tested GPCRs (Potency) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| 162660600 | 180602 | 0 | None | 1 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 4337 | 106 | 62 | 64 | -24.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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)CSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4761047 | 180602 | 0 | None | 1 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 4337 | 106 | 62 | 64 | -24.0 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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)CSCc2cccc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| 168281065 | 190417 | 0 | None | 2 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 3920 | 140 | 55 | 53 | -10.5 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCCN=[N+]=[N-])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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL5186705 | 190417 | 0 | None | 2 | 2 | Human | 10.9 | pEC50 | = | 10.9 | Functional | ChEMBL | 3920 | 140 | 55 | 53 | -10.5 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCCN=[N+]=[N-])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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL4126027 | 211261 | 0 | None | 74 | 2 | Human | 10.8 | pEC50 | = | 10.8 | 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 | ||||
| 137634214 | 156106 | 0 | None | 1 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 4121 | 139 | 65 | 62 | -27.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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@@H](C)CC)C(=O)N[C@@H](C)C(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4069307 | 156106 | 0 | None | 1 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 4121 | 139 | 65 | 62 | -27.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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@@H](C)CC)C(=O)N[C@@H](C)C(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4226451 | 211554 | 0 | None | 7 | 3 | Human | 10.8 | pEC50 | = | 10.8 | 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)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 | ||||
| 155523482 | 170229 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 3480 | 112 | 54 | 51 | -17.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)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](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4453136 | 170229 | 0 | None | - | 1 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 3480 | 112 | 54 | 51 | -17.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)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](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| 168292950 | 191549 | 0 | None | -1 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 3881 | 137 | 56 | 53 | -12.5 | 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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5203806 | 191549 | 0 | None | -1 | 2 | Human | 10.8 | pEC50 | = | 10.8 | Functional | ChEMBL | 3881 | 137 | 56 | 53 | -12.5 | 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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 168284782 | 191092 | 0 | None | 2 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 3907 | 139 | 55 | 53 | -10.3 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCCN=[N+]=[N-])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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL5196728 | 191092 | 0 | None | 2 | 2 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | 3907 | 139 | 55 | 53 | -10.3 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCCN=[N+]=[N-])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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| 102331734 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 1136 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 16132283 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 16133817 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 2994 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 3785 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 44278361 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 77077981 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| CHEMBL266481 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| DB00040 | 1784 | 28 | None | 12 | 6 | Mouse | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1016/j.bmc.2017.10.047 | ||||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.6b00840 | ||||
| 137642925 | 157579 | 0 | None | - | 1 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 4579 | 156 | 66 | 65 | -22.3 | CCCCCCCCCCCCCCCC(=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(N)=O)[C@@H](C)CC)C(=O)O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4086979 | 157579 | 0 | None | - | 1 | Mouse | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 4579 | 156 | 66 | 65 | -22.3 | CCCCCCCCCCCCCCCC(=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(N)=O)[C@@H](C)CC)C(=O)O | 10.1021/acs.jmedchem.7b00174 | ||
| 137659233 | 158600 | 0 | None | -1 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 4215 | 135 | 63 | 63 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4098061 | 158600 | 0 | None | -1 | 2 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 4215 | 135 | 63 | 63 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| 155533592 | 171324 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 3464 | 112 | 53 | 50 | -16.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)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](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4469604 | 171324 | 0 | None | - | 1 | Human | 10.6 | pEC50 | = | 10.6 | Functional | ChEMBL | 3464 | 112 | 53 | 50 | -16.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)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](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4126953 | 211270 | 0 | None | 74 | 2 | Human | 10.6 | pEC50 | = | 10.6 | 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 | ||||
| CHEMBL4226514 | 211555 | 0 | None | -1 | 3 | Human | 10.6 | pEC50 | = | 10.6 | 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(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 | ||||
| 137659233 | 158600 | 0 | None | -1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 4215 | 135 | 63 | 63 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4098061 | 158600 | 0 | None | -1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 4215 | 135 | 63 | 63 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4126738 | 211266 | 0 | None | 70 | 2 | Human | 10.5 | pEC50 | = | 10.5 | 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 | ||||
| CHEMBL4227045 | 211560 | 0 | None | -1 | 3 | Human | 10.5 | pEC50 | = | 10.5 | 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 | ||||
| 168283329 | 190180 | 0 | None | 1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3823 | 134 | 55 | 52 | -12.3 | 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](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](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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5183317 | 190180 | 0 | None | 1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3823 | 134 | 55 | 52 | -12.3 | 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](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](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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 168283329 | 190180 | 0 | None | 1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3823 | 134 | 55 | 52 | -12.3 | 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](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](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](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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL5183317 | 190180 | 0 | None | 1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3823 | 134 | 55 | 52 | -12.3 | 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](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](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](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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| 155532202 | 171137 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3449 | 112 | 52 | 50 | -17.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccncc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4466715 | 171137 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3449 | 112 | 52 | 50 | -17.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccncc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4226613 | 211556 | 0 | None | -1 | 3 | Human | 10.5 | pEC50 | = | 10.5 | 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 | ||||
| 155562429 | 174660 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3464 | 112 | 53 | 50 | -16.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccncc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4571762 | 174660 | 0 | None | - | 1 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3464 | 112 | 53 | 50 | -16.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccncc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| 168287225 | 191119 | 0 | None | -1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3937 | 138 | 57 | 53 | -12.2 | 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](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](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(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5197042 | 191119 | 0 | None | -1 | 2 | Human | 10.5 | pEC50 | = | 10.5 | Functional | ChEMBL | 3937 | 138 | 57 | 53 | -12.2 | 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](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](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(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 155526545 | 170561 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3449 | 112 | 52 | 50 | -17.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4458230 | 170561 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3449 | 112 | 52 | 50 | -17.1 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| 155566739 | 175308 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3464 | 112 | 53 | 50 | -16.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4586269 | 175308 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3464 | 112 | 53 | 50 | -16.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| 168296994 | 191723 | 0 | None | 1 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3839 | 135 | 56 | 53 | -13.4 | 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](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](CO)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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5206399 | 191723 | 0 | None | 1 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3839 | 135 | 56 | 53 | -13.4 | 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](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](CO)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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 168286525 | 190769 | 0 | None | -1 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3835 | 133 | 54 | 51 | -10.5 | 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](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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5192132 | 190769 | 0 | None | -1 | 2 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3835 | 133 | 54 | 51 | -10.5 | 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](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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 155564592 | 174964 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3479 | 112 | 54 | 50 | -16.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4578443 | 174964 | 0 | None | - | 1 | Human | 10.4 | pEC50 | = | 10.4 | Functional | ChEMBL | 3479 | 112 | 54 | 50 | -16.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4225340 | 211547 | 0 | None | -1 | 3 | Human | 10.4 | pEC50 | = | 10.4 | 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 | ||||
| CHEMBL1222098 | 206900 | 0 | None | 1 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](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)N[C@@H](Cc2cnc[nH]2)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL1222088 | 206890 | 0 | None | 1 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)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](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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168285487 | 191059 | 0 | None | -2 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 4110 | 145 | 58 | 56 | -11.9 | 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](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(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5196180 | 191059 | 0 | None | -2 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 4110 | 145 | 58 | 56 | -11.9 | 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](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(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL1222076 | 206879 | 0 | None | 3 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168278702 | 190545 | 0 | None | 1 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 4151 | 152 | 57 | 57 | -10.8 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCCNC(=O)COCCOCCNC(=O)CCCCN=[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](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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL5188299 | 190545 | 0 | None | 1 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 4151 | 152 | 57 | 57 | -10.8 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CCCCNC(=O)COCCOCCNC(=O)CCCCN=[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](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)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL1222077 | 206880 | 0 | None | 20 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 49864558 | 15481 | 0 | None | 2 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 3537 | 117 | 55 | 51 | -16.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| 91933345 | 15481 | 0 | None | 2 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 3537 | 117 | 55 | 51 | -16.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| CHEMBL1222080 | 15481 | 0 | None | 2 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 3537 | 117 | 55 | 51 | -16.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C[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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| 162656099 | 180148 | 0 | None | -3 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 4253 | 123 | 62 | 62 | -24.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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]1CCNC(=O)CCCC[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4755815 | 180148 | 0 | None | -3 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 4253 | 123 | 62 | 62 | -24.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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]1CCNC(=O)CCCC[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| 49864615 | 15491 | 0 | None | -4 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 3362 | 96 | 47 | 47 | -11.9 | 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(C)CN[C@@H](Cc2cnc[nH]2)C(=O)O)[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(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| CHEMBL1222174 | 15491 | 0 | None | -4 | 2 | Human | 10.3 | pEC50 | = | 10.3 | Functional | ChEMBL | 3362 | 96 | 47 | 47 | -11.9 | 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(C)CN[C@@H](Cc2cnc[nH]2)C(=O)O)[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(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| CHEMBL1222099 | 206901 | 0 | None | -1 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=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)N[C@@H](Cc2cnc[nH]2)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168296031 | 191688 | 0 | None | -1 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4091 | 144 | 58 | 55 | -12.2 | 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](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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5205970 | 191688 | 0 | None | -1 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4091 | 144 | 58 | 55 | -12.2 | 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](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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 162652123 | 179764 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4253 | 123 | 62 | 62 | -24.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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]1CCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4751319 | 179764 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4253 | 123 | 62 | 62 | -24.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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]1CCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| 168271903 | 190008 | 0 | None | -1 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4194 | 149 | 61 | 57 | -13.2 | 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](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](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(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5180732 | 190008 | 0 | None | -1 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4194 | 149 | 61 | 57 | -13.2 | 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](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](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(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)CC[C@H](N)C(=O)O)C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00174 | ||||
| 168274917 | 189656 | 0 | None | 2 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 3851 | 135 | 55 | 52 | -11.7 | 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](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](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(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5175260 | 189656 | 0 | None | 2 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 3851 | 135 | 55 | 52 | -11.7 | 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](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](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(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL1222082 | 206884 | 0 | None | 8 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL1222087 | 206889 | 0 | None | -2 | 2 | Human | 10.2 | pEC50 | = | 10.2 | 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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[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(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL1222090 | 206892 | 0 | None | 1 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[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](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | None | 10.1038/nchembio.209 | ||||
| CHEMBL1222079 | 206882 | 0 | None | 3 | 2 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 155517094 | 169601 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 3450 | 112 | 52 | 51 | -17.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4444485 | 169601 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 3450 | 112 | 52 | 51 | -17.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL1222091 | 206893 | 0 | None | -1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)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(N)=O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168290869 | 191376 | 0 | None | 1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 3837 | 134 | 55 | 52 | -12.0 | 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](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)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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5201113 | 191376 | 0 | None | 1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 3837 | 134 | 55 | 52 | -12.0 | 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](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)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](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)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL1222101 | 206903 | 0 | None | 2 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CSCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)N[C@@H](Cc2cnc[nH]2)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)O)[C@@H](C)O)NC1=O | 10.1038/nchembio.209 | ||||
| CHEMBL1222085 | 206887 | 0 | None | -1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL1222100 | 206902 | 0 | None | 3 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)N[C@@H](Cc2cnc[nH]2)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2020.113118 | ||||
| CHEMBL1222092 | 206894 | 0 | None | 1 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 155512720 | 169119 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 3450 | 112 | 52 | 51 | -17.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccncc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4437733 | 169119 | 0 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 3450 | 112 | 52 | 51 | -17.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccncc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL1222089 | 206891 | 0 | None | -3 | 2 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168298565 | 192071 | 0 | None | -3 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 4643 | 155 | 67 | 66 | -21.4 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(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(=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(N)=O)[C@@H](C)CC)C(=O)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5218881 | 192071 | 0 | None | -3 | 2 | Human | 10.0 | pEC50 | = | 10.0 | Functional | ChEMBL | 4643 | 155 | 67 | 66 | -21.4 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(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(=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(N)=O)[C@@H](C)CC)C(=O)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL1222078 | 206881 | 0 | None | 2 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1c[nH]cn1)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL1222081 | 206883 | 0 | None | 1 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCS(=O)(=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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168271945 | 189506 | 0 | None | 1 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 3941 | 140 | 59 | 55 | -15.0 | 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](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](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(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| CHEMBL5172868 | 189506 | 0 | None | 1 | 2 | Human | 10.0 | pEC50 | = | 10 | Functional | ChEMBL | 3941 | 140 | 59 | 55 | -15.0 | 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](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](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(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00217 | ||
| 162648287 | 179325 | 0 | None | -2 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4210 | 122 | 64 | 63 | -28.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](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](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4745985 | 179325 | 0 | None | -2 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4210 | 122 | 64 | 63 | -28.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](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](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL1222097 | 206899 | 0 | None | 1 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 137662302 | 158696 | 0 | None | 13 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4314 | 132 | 64 | 64 | -25.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=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)O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4098991 | 158696 | 0 | None | 13 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4314 | 132 | 64 | 64 | -25.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=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)O | 10.1021/acs.jmedchem.7b00174 | ||
| 162648841 | 179266 | 0 | None | -1 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4215 | 135 | 63 | 63 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4745235 | 179266 | 0 | None | -1 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4215 | 135 | 63 | 63 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL1222083 | 206885 | 0 | None | 4 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL1222084 | 206886 | 0 | None | 4 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| 168299170 | 192097 | 0 | None | -2 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4628 | 153 | 66 | 65 | -20.5 | CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)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(=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(N)=O)[C@@H](C)CC)C(=O)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5219454 | 192097 | 0 | None | -2 | 2 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4628 | 153 | 66 | 65 | -20.5 | CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)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(=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(N)=O)[C@@H](C)CC)C(=O)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL1222075 | 206878 | 0 | None | 3 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL4227861 | 211566 | 0 | None | -1 | 3 | Human | 9.8 | pEC50 | = | 9.8 | 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 | ||||
| 168298728 | 192128 | 0 | None | -2 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4261 | 133 | 64 | 63 | -25.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)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(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220251 | 192128 | 0 | None | -2 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4261 | 133 | 64 | 63 | -25.5 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)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(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| 168284802 | 191154 | 0 | None | 4 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4104 | 144 | 57 | 55 | -11.3 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL5197522 | 191154 | 0 | None | 4 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4104 | 144 | 57 | 55 | -11.3 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| 168299650 | 192082 | 0 | None | -3 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4392 | 150 | 72 | 63 | -24.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5219122 | 192082 | 0 | None | -3 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4392 | 150 | 72 | 63 | -24.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](C)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| 168298631 | 192126 | 0 | None | -3 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4756 | 159 | 68 | 67 | -20.9 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(N)=O)C(=O)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220241 | 192126 | 0 | None | -3 | 2 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4756 | 159 | 68 | 67 | -20.9 | CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(N)=O)C(=O)O | 10.1016/j.ejmech.2020.113118 | ||
| 162657120 | 180320 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4178 | 120 | 60 | 61 | -24.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C/CCC[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](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](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4757675 | 180320 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4178 | 120 | 60 | 61 | -24.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C/CCC[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](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](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| 168298518 | 192142 | 0 | None | 1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 3474 | 114 | 55 | 51 | -18.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)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](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220666 | 192142 | 0 | None | 1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 3474 | 114 | 55 | 51 | -18.3 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)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](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)O | 10.1016/j.ejmech.2020.113118 | ||
| 168299004 | 192151 | 0 | None | 1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4453 | 151 | 73 | 65 | -26.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5221090 | 192151 | 0 | None | 1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4453 | 151 | 73 | 65 | -26.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| 168298163 | 192141 | 0 | None | 1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 3488 | 113 | 55 | 51 | -18.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[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)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220630 | 192141 | 0 | None | 1 | 2 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 3488 | 113 | 55 | 51 | -18.7 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[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)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)C(C)O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL4163714 | 211470 | 0 | None | 3 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL1222086 | 206888 | 0 | None | -30 | 2 | Human | 9.3 | pEC50 | = | 9.3 | 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](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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[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](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)O)C(C)C | 10.1038/nchembio.209 | ||||
| 168282938 | 190151 | 0 | None | -1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4117 | 146 | 57 | 55 | -10.0 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| CHEMBL5182822 | 190151 | 0 | None | -1 | 2 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4117 | 146 | 57 | 55 | -10.0 | 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](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[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](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN=[N+]=[N-])C(N)=O)[C@@H](C)O)C(C)C)C(=O)O)C(=O)O | 10.1021/acsmedchemlett.2c00218 | ||
| 162659870 | 180691 | 0 | None | -2 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4338 | 104 | 61 | 64 | -22.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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)CSCc2cc3cc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CSC3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4762061 | 180691 | 0 | None | -2 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4338 | 104 | 61 | 64 | -22.6 | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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](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)CSCc2cc3cc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CSC3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O | 10.1021/acs.jmedchem.0c01500 | ||
| 49864580 | 15482 | 0 | None | -41 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 3380 | 111 | 48 | 48 | -12.0 | 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(C)CN[C@@H](Cc1cnc[nH]1)C(=O)O)[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(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| CHEMBL1222102 | 15482 | 0 | None | -41 | 2 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 3380 | 111 | 48 | 48 | -12.0 | 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(C)CN[C@@H](Cc1cnc[nH]1)C(=O)O)[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(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||
| CHEMBL4170727 | 211478 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| 168298382 | 192138 | 0 | None | -3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4331 | 137 | 64 | 63 | -22.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=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 | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220497 | 192138 | 0 | None | -3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4331 | 137 | 64 | 63 | -22.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=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 | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL4174154 | 211483 | 0 | None | 3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CCCCCCN1C(=O)CC(SC[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](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](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4166241 | 211474 | 0 | None | 3 | 2 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| 168298376 | 192133 | 0 | None | -1 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4467 | 150 | 73 | 65 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220372 | 192133 | 0 | None | -1 | 2 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4467 | 150 | 73 | 65 | -26.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | None | 10.1016/j.ejmech.2017.07.046 | ||||
| 137650720 | 156738 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4213 | 135 | 59 | 61 | -21.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)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(C)C)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(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4076828 | 156738 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4213 | 135 | 59 | 61 | -21.8 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)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(C)C)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(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| 137661599 | 158649 | 0 | None | -2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4447 | 149 | 73 | 65 | -25.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O | 10.1016/j.ejmech.2017.07.046 | ||
| CHEMBL4098545 | 158649 | 0 | None | -2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4447 | 149 | 73 | 65 | -25.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)O | 10.1016/j.ejmech.2017.07.046 | ||
| 137638423 | 156346 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4486 | 148 | 66 | 64 | -22.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)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(C)C)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](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)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)O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4072029 | 156346 | 0 | None | - | 1 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4486 | 148 | 66 | 64 | -22.1 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)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(C)C)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](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)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)O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4167331 | 211476 | 0 | None | 4 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4162383 | 211466 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CCCCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)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](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](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| 168299536 | 192091 | 0 | None | -9 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 3554 | 120 | 56 | 51 | -16.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5219263 | 192091 | 0 | None | -9 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 3554 | 120 | 56 | 51 | -16.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| 168299173 | 192098 | 0 | None | -2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4346 | 136 | 64 | 63 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=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 | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5219458 | 192098 | 0 | None | -2 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | 4346 | 136 | 64 | 63 | -22.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=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 | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL4159256 | 211460 | 0 | None | -1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4160347 | 211463 | 0 | None | 7 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4167169 | 211475 | 0 | None | 1 | 2 | Human | 8.9 | pEC50 | = | 8.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4173061 | 211482 | 0 | None | -1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSC1CC(=O)N(CCCCCCCCCCCC(=O)O)C1=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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4175452 | 211486 | 0 | None | 1 | 2 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| 168299127 | 192059 | 0 | None | -3 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 3426 | 114 | 54 | 49 | -16.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5218509 | 192059 | 0 | None | -3 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 3426 | 114 | 54 | 49 | -16.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL4162789 | 211467 | 0 | None | - | 1 | Human | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4159275 | 211461 | 0 | None | 3 | 2 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)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](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](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4170976 | 211479 | 0 | None | 6 | 2 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| 137634741 | 155358 | 0 | None | -93 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4185 | 134 | 62 | 62 | -26.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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)CNC(=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)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(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| CHEMBL4060629 | 155358 | 0 | None | -93 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4185 | 134 | 62 | 62 | -26.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)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)CNC(=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)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(N)=O | 10.1021/acs.jmedchem.7b00174 | ||
| 155532070 | 171150 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 3451 | 112 | 52 | 52 | -18.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL4466856 | 171150 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 3451 | 112 | 52 | 52 | -18.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccnc1)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.6b00840 | ||
| CHEMBL1222095 | 206897 | 0 | None | -85 | 2 | Human | 8.6 | pEC50 | = | 8.6 | 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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[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(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL4169653 | 211477 | 0 | None | 1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCN1C(=O)CC(SC[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](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](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| 168298006 | 192106 | 0 | None | -21 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 3569 | 119 | 56 | 51 | -16.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5219646 | 192106 | 0 | None | -21 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 3569 | 119 | 56 | 51 | -16.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| 168298501 | 192134 | 0 | None | -16 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 3583 | 120 | 56 | 51 | -16.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5220384 | 192134 | 0 | None | -16 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 3583 | 120 | 56 | 51 | -16.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL4174404 | 211485 | 0 | None | 3 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CCCCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4163731 | 211471 | 0 | None | 1 | 2 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSC1CC(=O)N(CCCCCCCCCCCC(=O)O)C1=O)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4177064 | 211488 | 0 | None | -1 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CO)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](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](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4130148 | 211297 | 0 | None | 8 | 3 | Human | 8.5 | pEC50 | = | 8.5 | 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 | ||||
| CHEMBL4172444 | 211481 | 0 | None | 4 | 2 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL1222094 | 206896 | 0 | None | -33 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)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)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL4174382 | 211484 | 0 | None | 1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| 162651402 | 179602 | 0 | None | -251 | 5 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)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(C)C)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](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
| CHEMBL4749279 | 179602 | 0 | None | -251 | 5 | Rat | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | 5221 | 175 | 80 | 73 | -23.1 | CC[C@H](C)[C@H](NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)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(C)C)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](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c01783 | ||
| 168299788 | 192074 | 0 | None | -177 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 4276 | 132 | 64 | 63 | -25.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[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)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(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL5218999 | 192074 | 0 | None | -177 | 2 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | 4276 | 132 | 64 | 63 | -25.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)[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)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(N)=O | 10.1016/j.ejmech.2020.113118 | ||
| CHEMBL4165144 | 211473 | 0 | None | -1 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSC1CC(=O)N(CCCCCCCCCCCC(=O)O)C1=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4159003 | 211459 | 0 | None | 19 | 2 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCCCCCN1C(=O)CC(SC[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](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](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4160365 | 211464 | 0 | None | 6 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CCCCCCCCCCCCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)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(C)C)C1=O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL4130044 | 211292 | 0 | None | -812 | 3 | Human | 7.4 | pEC50 | = | 7.4 | 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 | ||||
| CHEMBL4225594 | 211550 | 0 | None | -173 | 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](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 | ||||
| CHEMBL4159426 | 211462 | 0 | None | 6 | 2 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| CHEMBL1222093 | 206895 | 0 | None | -275 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[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(=O)O)NC(=O)[C@H](C)N[C@@H](Cc1cnc[nH]1)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1038/nchembio.209 | ||||
| CHEMBL4161800 | 211465 | 0 | None | -3 | 2 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/j.ejmech.2017.07.046 | ||||
| 102331734 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 1136 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 16132283 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 16133817 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 2994 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 3785 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 44278361 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 77077981 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| CHEMBL266481 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| DB00040 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 162655167 | 180218 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4178 | 120 | 60 | 61 | -24.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C\CCC[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](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](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| CHEMBL4756489 | 180218 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4178 | 120 | 60 | 61 | -24.0 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@]1(C)CCC/C=C\CCC[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](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](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)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(N)=O | 10.1021/acs.jmedchem.0c01500 | ||
| 164616962 | 184610 | 0 | None | 1 | 6 | Human | 9.4 | pIC50 | = | 9.4 | 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 | 184610 | 0 | None | 1 | 6 | Human | 9.4 | pIC50 | = | 9.4 | 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 | ||
| 164616962 | 184610 | 0 | None | -1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | 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 | 184610 | 0 | None | -1 | 6 | Mouse | 9.3 | pIC50 | = | 9.3 | 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 | ||
| 122189698 | 122849 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1cncc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)c1 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616677 | 122849 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1cncc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)c1 | 10.1016/j.bmcl.2015.08.015 | ||
| 71243036 | 109789 | 0 | None | 2 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 649 | 9 | 2 | 6 | 7.3 | CC1(CC[C@H](c2ccc(C(=O)NCc3nn[nH]n3)cc2)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)CC1 | 10.1021/jm401858f | ||
| CHEMBL3238215 | 109789 | 0 | None | 2 | 2 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 649 | 9 | 2 | 6 | 7.3 | CC1(CC[C@H](c2ccc(C(=O)NCc3nn[nH]n3)cc2)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)CC1 | 10.1021/jm401858f | ||
| 16225394 | 68636 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 550 | 11 | 2 | 4 | 7.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922917 | 68636 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 550 | 11 | 2 | 4 | 7.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 57882748 | 139433 | 10 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL3799802 | 139433 | 10 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 57882748 | 139433 | 10 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799802 | 139433 | 10 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 60170767 | 80967 | 0 | None | 54 | 2 | Human | 7.0 | pIC50 | = | 7 | 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 | 80967 | 0 | None | 54 | 2 | Human | 7.0 | pIC50 | = | 7 | 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 | ||
| 11950971 | 150371 | 0 | None | 2 | 2 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 150371 | 0 | None | 2 | 2 | Human | 6.0 | pIC50 | = | 6.0 | 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 | ||
| 11570626 | 2513 | 40 | None | -6 | 9 | Dog | 7.0 | pIC50 | = | 7.0 | 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 | 2513 | 40 | None | -6 | 9 | Dog | 7.0 | pIC50 | = | 7.0 | 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 | 2513 | 40 | None | -6 | 9 | Dog | 7.0 | pIC50 | = | 7.0 | 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 | 2513 | 40 | None | -6 | 9 | Dog | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 10370821 | 71788 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197851 | 71788 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 11950794 | 160684 | 0 | None | 5 | 2 | Human | 6.0 | pIC50 | = | 6.0 | 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 | 160684 | 0 | None | 5 | 2 | Human | 6.0 | pIC50 | = | 6.0 | 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 | ||
| 60170969 | 80987 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 499 | 8 | 2 | 5 | 5.8 | COc1ccc2cc(-c3cc(C(C)(C)C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159346 | 80987 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 499 | 8 | 2 | 5 | 5.8 | COc1ccc2cc(-c3cc(C(C)(C)C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 127047254 | 139408 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 509 | 7 | 2 | 5 | 5.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccco1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799656 | 139408 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 509 | 7 | 2 | 5 | 5.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccco1 | 10.1016/j.bmc.2016.04.053 | ||
| 122189570 | 122824 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(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 | ||
| CHEMBL3616581 | 122824 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(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 | ||
| 122189579 | 122833 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 687 | 11 | 2 | 7 | 8.0 | COc1ccc(OC(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616590 | 122833 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 687 | 11 | 2 | 7 | 8.0 | COc1ccc(OC(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 11950794 | 160684 | 0 | None | 5 | 2 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 160684 | 0 | None | 5 | 2 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
| 44431020 | 167078 | 0 | None | 123 | 2 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 167078 | 0 | None | 123 | 2 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
| 60170970 | 80988 | 0 | None | 199 | 4 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 80988 | 0 | None | 199 | 4 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 57518490 | 80977 | 0 | None | 56 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 80977 | 0 | None | 56 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 58353063 | 109755 | 0 | None | 31 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237900 | 109755 | 0 | None | 31 | 3 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353067 | 109791 | 0 | None | 2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238217 | 109791 | 0 | None | 2 | 2 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58352821 | 109771 | 0 | None | 28 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237915 | 109771 | 0 | None | 28 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44404227 | 71787 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 5.9 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197850 | 71787 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 5.9 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 9985625 | 56630 | 0 | None | 5 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 56630 | 0 | None | 5 | 5 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 11678967 | 80970 | 0 | None | 29 | 2 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 80970 | 0 | None | 29 | 2 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 10346647 | 139824 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL380771 | 139824 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10007881 | 165364 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL425024 | 165364 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 145967741 | 164639 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228690 | 164639 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 54765285 | 68653 | 0 | None | 128 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 68653 | 0 | None | 128 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 164628536 | 185883 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876736 | 185883 | 0 | None | 2 | 2 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11621378 | 80994 | 3 | None | 131 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 80994 | 3 | None | 131 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 11527207 | 80981 | 0 | None | 81 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 80981 | 0 | None | 81 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 122189693 | 122844 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 659 | 9 | 2 | 5 | 8.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616672 | 122844 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 659 | 9 | 2 | 5 | 8.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 135819137 | 92419 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 373 | 8 | 2 | 3 | 6.1 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL24388 | 92419 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 373 | 8 | 2 | 3 | 6.1 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00143-9 | ||
| 11250000 | 68564 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)/c(=N\c1ccc(OC(F)(F)F)cc1)n2C | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922704 | 68564 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)/c(=N\c1ccc(OC(F)(F)F)cc1)n2C | 10.1016/j.bmcl.2011.09.085 | ||
| 11387112 | 68571 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 538 | 6 | 2 | 7 | 4.7 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922711 | 68571 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 538 | 6 | 2 | 7 | 4.7 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 90655064 | 109802 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238228 | 109802 | 0 | None | -1 | 2 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 127046968 | 139373 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 579 | 9 | 2 | 6 | 6.3 | COc1cc(OC)cc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2C2CCc3cc(C(=O)NCCC(=O)O)ccc32)c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799439 | 139373 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 579 | 9 | 2 | 6 | 6.3 | COc1cc(OC)cc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2C2CCc3cc(C(=O)NCCC(=O)O)ccc32)c1 | 10.1016/j.bmc.2016.04.053 | ||
| 127046098 | 139553 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3800525 | 139553 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 11570626 | 2513 | 40 | None | -7 | 9 | Mouse | 6.9 | pIC50 | = | 6.9 | 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 | 2513 | 40 | None | -7 | 9 | Mouse | 6.9 | pIC50 | = | 6.9 | 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 | 2513 | 40 | None | -7 | 9 | Mouse | 6.9 | pIC50 | = | 6.9 | 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 | 2513 | 40 | None | -7 | 9 | Mouse | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 1148 | 1893 | 28 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 10.1016/j.bmcl.2005.01.003 | ||
| 619101 | 1893 | 28 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL179281 | 1893 | 28 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 10.1016/j.bmcl.2005.01.003 | ||
| 164628244 | 185865 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 3025 | 98 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876499 | 185865 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 3025 | 98 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 145969571 | 164616 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 561 | 8 | 2 | 5 | 7.4 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2occc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228281 | 164616 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 561 | 8 | 2 | 5 | 7.4 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2occc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 11444850 | 68625 | 0 | None | 54 | 3 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 68625 | 0 | None | 54 | 3 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 164616848 | 184366 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4853767 | 184366 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 60170857 | 80983 | 0 | None | 56 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 80983 | 0 | None | 56 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 122189575 | 122829 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 644 | 12 | 2 | 5 | 8.6 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616586 | 122829 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 644 | 12 | 2 | 5 | 8.6 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11490222 | 68566 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 590 | 6 | 2 | 8 | 5.3 | Cc1cc(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 | ||
| CHEMBL1922706 | 68566 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 590 | 6 | 2 | 8 | 5.3 | Cc1cc(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 | ||
| 71243005 | 109781 | 0 | None | 5 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 7.3 | CCCCC[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 | ||
| CHEMBL3237925 | 109781 | 0 | None | 5 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 7.3 | CCCCC[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 | ||
| 58353046 | 109792 | 0 | None | 3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 617 | 8 | 2 | 6 | 6.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238218 | 109792 | 0 | None | 3 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 617 | 8 | 2 | 6 | 6.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10077369 | 56635 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | 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 | 56635 | 0 | None | 14 | 2 | Human | 5.9 | pIC50 | = | 5.9 | 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 | ||
| 127046644 | 139048 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 563 | 8 | 2 | 5 | 6.7 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(c2)CCO3)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3797325 | 139048 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 563 | 8 | 2 | 5 | 6.7 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(c2)CCO3)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 44404227 | 71787 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 5.9 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197850 | 71787 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 5.9 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189708 | 122859 | 0 | None | 213 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 122859 | 0 | None | 213 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 122189715 | 122866 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 697 | 12 | 2 | 5 | 9.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616694 | 122866 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 697 | 12 | 2 | 5 | 9.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 54765284 | 68626 | 0 | None | 165 | 3 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 68626 | 0 | None | 165 | 3 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 57393253 | 68630 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 636 | 8 | 2 | 8 | 6.0 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922844 | 68630 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 636 | 8 | 2 | 8 | 6.0 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 11585375 | 80979 | 0 | None | 30 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 80979 | 0 | None | 30 | 2 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 11273570 | 68574 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 620 | 8 | 2 | 9 | 5.3 | CCOc1cc(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 | ||
| CHEMBL1922714 | 68574 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 620 | 8 | 2 | 9 | 5.3 | CCOc1cc(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 | ||
| 122189694 | 122845 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616673 | 122845 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189723 | 122875 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.0 | COc1ccc(C(F)(F)F)cc1-c1nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616702 | 122875 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.0 | COc1ccc(C(F)(F)F)cc1-c1nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 16100296 | 201151 | 40 | None | 1 | 4 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 201151 | 40 | None | 1 | 4 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 58353013 | 109750 | 0 | None | 10 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237895 | 109750 | 0 | None | 10 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353544 | 109754 | 0 | None | 7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 585 | 8 | 2 | 4 | 6.4 | CC(Cc1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237899 | 109754 | 0 | None | 7 | 3 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 585 | 8 | 2 | 4 | 6.4 | CC(Cc1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58352803 | 109793 | 0 | None | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238219 | 109793 | 0 | None | 1 | 2 | Human | 6.9 | pIC50 | = | 6.9 | Functional | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353232 | 109743 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237889 | 109743 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 127045652 | 139174 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 537 | 7 | 2 | 4 | 6.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798135 | 139174 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 537 | 7 | 2 | 4 | 6.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 127047253 | 139542 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3800473 | 139542 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 553 | 7 | 2 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 10437700 | 134851 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1Cl)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL372784 | 134851 | 0 | None | - | 1 | Human | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1Cl)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 16100296 | 72067 | 40 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | 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 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198736 | 72067 | 40 | None | -1 | 5 | Human | 6.8 | pIC50 | = | 6.8 | Functional | 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 | 10.1016/j.bmcl.2005.06.101 | ||
| 11950972 | 160685 | 0 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 160685 | 0 | None | 3 | 2 | Human | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 11952213 | 86331 | 0 | None | 2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | 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 | 86331 | 0 | None | 2 | 2 | Human | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 145967924 | 164576 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227634 | 164576 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| 11952035 | 150938 | 0 | None | 3 | 2 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 150938 | 0 | None | 3 | 2 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 11570626 | 2513 | 40 | None | 3 | 9 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 2513 | 40 | None | 3 | 9 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 2513 | 40 | None | 3 | 9 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 2513 | 40 | None | 3 | 9 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 60170971 | 80989 | 0 | None | 186 | 3 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 80989 | 0 | None | 186 | 3 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 45381379 | 109784 | 0 | None | 4 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(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 | ||
| CHEMBL3237928 | 109784 | 0 | None | 4 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(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 | ||
| 16225393 | 68641 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 534 | 11 | 2 | 4 | 6.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922922 | 68641 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 534 | 11 | 2 | 4 | 6.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 127046099 | 139380 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 599 | 8 | 2 | 5 | 7.4 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C3CCc4cc(C(=O)NCCC(=O)O)ccc43)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799468 | 139380 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 599 | 8 | 2 | 5 | 7.4 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C3CCc4cc(C(=O)NCCC(=O)O)ccc43)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 11757662 | 71914 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 565 | 5 | 2 | 5 | 5.6 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Br)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198214 | 71914 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 565 | 5 | 2 | 5 | 5.6 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Br)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 44389598 | 64541 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL182148 | 64541 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 11331120 | 68620 | 0 | None | 81 | 3 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 68620 | 0 | None | 81 | 3 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 10324097 | 56567 | 0 | None | 15 | 2 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 56567 | 0 | None | 15 | 2 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
| 58353838 | 109794 | 0 | None | 5 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238220 | 109794 | 0 | None | 5 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58352840 | 109745 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237890 | 109745 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(Cl)c(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 90655066 | 109801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ncccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238227 | 109801 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ncccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 127047904 | 139299 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.7 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCC(C)C(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799017 | 139299 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.7 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCC(C)C(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 10416067 | 71469 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 593 | 6 | 2 | 5 | 6.2 | CC(c1ccc(Br)cc1)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196844 | 71469 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 593 | 6 | 2 | 5 | 6.2 | CC(c1ccc(Br)cc1)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2005.06.101 | ||
| 10073298 | 70211 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.5 | CC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL194794 | 70211 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 467 | 4 | 2 | 5 | 4.5 | CC(C)(C)C1CCC2(CC1)CN(C(C)(C)C)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10393857 | 71748 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 603 | 8 | 2 | 5 | 6.1 | CC(C)(C)C1CCC2(CC1)CC(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197754 | 71748 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 603 | 8 | 2 | 5 | 6.1 | CC(C)(C)C1CCC2(CC1)CC(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189572 | 122826 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616583 | 122826 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11421820 | 68570 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 576 | 6 | 2 | 7 | 5.9 | CCc1cc(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 | ||
| CHEMBL1922710 | 68570 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 576 | 6 | 2 | 7 | 5.9 | CCc1cc(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 | ||
| 16225179 | 68645 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 618 | 11 | 2 | 4 | 8.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922926 | 68645 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 618 | 11 | 2 | 4 | 8.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 57396141 | 68658 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 662 | 14 | 2 | 5 | 8.4 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922938 | 68658 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 662 | 14 | 2 | 5 | 8.4 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11757679 | 56625 | 0 | None | 54 | 2 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 56625 | 0 | None | 54 | 2 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
| 58352935 | 109752 | 0 | None | 8 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237897 | 109752 | 0 | None | 8 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 145969316 | 164579 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4C(F)(F)F)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227667 | 164579 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4C(F)(F)F)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 145969278 | 164519 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4226770 | 164519 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| 145986774 | 166488 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 461 | 12 | 2 | 5 | 5.2 | CCCCC(Oc1ncc(-c2ccc(CC)cc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4288863 | 166488 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 461 | 12 | 2 | 5 | 5.2 | CCCCC(Oc1ncc(-c2ccc(CC)cc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 44404222 | 71623 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 5 | 2 | 5 | 5.0 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197340 | 71623 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 505 | 5 | 2 | 5 | 5.0 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 11352811 | 178422 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 514 | 6 | 2 | 7 | 5.6 | Cc1cc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2cc1C | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL470955 | 178422 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 514 | 6 | 2 | 7 | 5.6 | Cc1cc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2cc1C | 10.1016/j.bmcl.2008.05.072 | ||
| 122189711 | 122862 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 629 | 12 | 2 | 5 | 8.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616690 | 122862 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 629 | 12 | 2 | 5 | 8.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189712 | 122863 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 693 | 13 | 2 | 6 | 9.0 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616691 | 122863 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 693 | 13 | 2 | 6 | 9.0 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189713 | 122864 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 677 | 13 | 2 | 6 | 8.5 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616692 | 122864 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 677 | 13 | 2 | 6 | 8.5 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189718 | 122869 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 649 | 12 | 2 | 6 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616697 | 122869 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 649 | 12 | 2 | 6 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 57391489 | 68627 | 0 | None | 141 | 3 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 68627 | 0 | None | 141 | 3 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 11952035 | 86389 | 0 | None | 10 | 2 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 86389 | 0 | None | 10 | 2 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| CHEMBL439289 | 212086 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | None | None | None | CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(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(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O | 10.1016/j.bmcl.2005.01.003 | ||||
| 11410772 | 68345 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 592 | 7 | 2 | 9 | 4.8 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1921810 | 68345 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 592 | 7 | 2 | 9 | 4.8 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 51031037 | 109773 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 581 | 6 | 2 | 6 | 5.8 | C[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237917 | 109773 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 581 | 6 | 2 | 6 | 5.8 | C[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353338 | 109796 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238222 | 109796 | 0 | None | 3 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 71243097 | 109797 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238223 | 109797 | 0 | None | 2 | 2 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10099927 | 135586 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 589 | 8 | 2 | 4 | 6.6 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL373234 | 135586 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 589 | 8 | 2 | 4 | 6.6 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10383925 | 78540 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 360 | 7 | 1 | 6 | 4.6 | CCC(CC)C(=O)Nc1sc(-c2nc(CC(C)C)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL2112991 | 78540 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 360 | 7 | 1 | 6 | 4.6 | CCC(CC)C(=O)Nc1sc(-c2nc(CC(C)C)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 11678966 | 80972 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccc(OC(F)(F)F)cc3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159332 | 80972 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccc(OC(F)(F)F)cc3c2)cc1 | 10.1021/jm300579z | ||
| 11951681 | 96408 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 609 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL265337 | 96408 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 609 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 44561440 | 172020 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 584 | 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(OCC3CCCC3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL448921 | 172020 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 584 | 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(OCC3CCCC3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11478813 | 68575 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 586 | 8 | 2 | 9 | 5.0 | CCOc1cc(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 | ||
| CHEMBL1922715 | 68575 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 586 | 8 | 2 | 9 | 5.0 | CCOc1cc(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 | ||
| 11456187 | 68621 | 2 | None | 40 | 3 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 68621 | 2 | None | 40 | 3 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
| 57393252 | 68629 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 632 | 8 | 2 | 8 | 6.2 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922843 | 68629 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 632 | 8 | 2 | 8 | 6.2 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 91755011 | 122970 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 11 | 3 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(OC(F)(F)F)cc1)c1c[nH]c2c(F)cc(Cl)cc12 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617565 | 122970 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 590 | 11 | 3 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(OC(F)(F)F)cc1)c1c[nH]c2c(F)cc(Cl)cc12 | 10.1016/j.bmcl.2015.07.092 | ||
| 58353464 | 109746 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 573 | 8 | 2 | 5 | 5.6 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237891 | 109746 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 573 | 8 | 2 | 5 | 5.6 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 58353408 | 109747 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 7 | 2 | 4 | 4.8 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237892 | 109747 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 507 | 7 | 2 | 4 | 4.8 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 127046645 | 139115 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NC(C)CC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3797757 | 139115 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NC(C)CC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 164622383 | 185359 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 3019 | 97 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4869368 | 185359 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 3019 | 97 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 10370821 | 71788 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197851 | 71788 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10008709 | 140772 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 599 | 6 | 2 | 7 | 5.7 | CC(C)(C)C1CCC2(CC1)CC(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL383350 | 140772 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 599 | 6 | 2 | 7 | 5.7 | CC(C)(C)C1CCC2(CC1)CC(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 9986018 | 133067 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 599 | 7 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL371235 | 133067 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 599 | 7 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189704 | 122855 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616683 | 122855 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 57403109 | 68656 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 596 | 13 | 2 | 4 | 7.6 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922936 | 68656 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 596 | 13 | 2 | 4 | 7.6 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 9985625 | 56630 | 0 | None | -25 | 5 | Mouse | 5.7 | pIC50 | = | 5.7 | 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 | 56630 | 0 | None | -25 | 5 | Mouse | 5.7 | pIC50 | = | 5.7 | 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 | ||
| 44342725 | 9875 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 341 | 5 | 1 | 2 | 6.1 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL114761 | 9875 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 341 | 5 | 1 | 2 | 6.1 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 160115 | 176450 | 18 | None | -1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 518 | 1 | 6 | 10 | 4.6 | CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1 | 10.1021/np040093o | ||
| CHEMBL463175 | 176450 | 18 | None | -1 | 2 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 518 | 1 | 6 | 10 | 4.6 | CC1CC(=O)c2c(cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)OC(C)CC6=O)c(O)cc(O)c3c2O)O1 | 10.1021/np040093o | ||
| 145971123 | 164524 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 572 | 8 | 2 | 5 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ncccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4226911 | 164524 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 572 | 8 | 2 | 5 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ncccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 127046805 | 139275 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 663 | 10 | 2 | 5 | 9.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NC(CC(=O)O)c4ccccc4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798798 | 139275 | 0 | None | - | 1 | Human | 4.7 | pIC50 | = | 4.7 | Functional | ChEMBL | 663 | 10 | 2 | 5 | 9.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NC(CC(=O)O)c4ccccc4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 53377590 | 122966 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 524 | 7 | 2 | 5 | 5.0 | CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(N2CCCCC2)=NC12CCC(C(C)(C)C)CC2 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617561 | 122966 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 524 | 7 | 2 | 5 | 5.0 | CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(N2CCCCC2)=NC12CCC(C(C)(C)C)CC2 | 10.1016/j.bmcl.2015.07.092 | ||
| 16100296 | 72067 | 40 | None | -1 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Functional | 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 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198736 | 72067 | 40 | None | -1 | 5 | Human | 7.7 | pIC50 | = | 7.7 | Functional | 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 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189721 | 122873 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 615 | 10 | 2 | 5 | 7.9 | CCC(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 | ||
| CHEMBL3616700 | 122873 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 615 | 10 | 2 | 5 | 7.9 | CCC(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 | ||
| 122189706 | 122857 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 644 | 11 | 2 | 7 | 6.7 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616685 | 122857 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 644 | 11 | 2 | 7 | 6.7 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11238814 | 68559 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.3 | CC(C)n1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922699 | 68559 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 6.3 | CC(C)n1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 127047385 | 139118 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccc2ccccc12 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3797782 | 139118 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccc2ccccc12 | 10.1016/j.bmc.2016.04.053 | ||
| 44561479 | 178548 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 516 | 7 | 2 | 8 | 5.0 | COc1ccc2nc(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 | ||
| CHEMBL471979 | 178548 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 516 | 7 | 2 | 8 | 5.0 | COc1ccc2nc(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 | ||
| 11950795 | 86390 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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 | 86390 | 0 | None | 1 | 2 | Human | 5.7 | pIC50 | = | 5.7 | 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 | ||
| 44561439 | 190607 | 0 | None | 426 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | 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 | 190607 | 0 | None | 426 | 2 | Human | 7.7 | pIC50 | = | 7.7 | Functional | 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 | ||
| 11365464 | 68567 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 5.5 | CCc1cc(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 | ||
| CHEMBL1922707 | 68567 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 604 | 7 | 2 | 8 | 5.5 | CCc1cc(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 | ||
| 57403703 | 68628 | 0 | None | 41 | 3 | Human | 7.7 | pIC50 | = | 7.7 | 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 | 68628 | 0 | None | 41 | 3 | Human | 7.7 | pIC50 | = | 7.7 | 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 | ||
| 71472272 | 122977 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 635 | 9 | 3 | 4 | 8.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617572 | 122977 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 635 | 9 | 3 | 4 | 8.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | 10.1016/j.bmcl.2015.07.092 | ||
| 53467170 | 122968 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 607 | 10 | 2 | 4 | 7.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=NC12CCC([Si](C)(C)C)CC2 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617563 | 122968 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 607 | 10 | 2 | 4 | 7.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=NC12CCC([Si](C)(C)C)CC2 | 10.1016/j.bmcl.2015.07.092 | ||
| 44561480 | 178583 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 504 | 6 | 2 | 7 | 5.1 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(F)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL472154 | 178583 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 504 | 6 | 2 | 7 | 5.1 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(F)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 122189696 | 122847 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 650 | 10 | 3 | 6 | 6.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616675 | 122847 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 650 | 10 | 3 | 6 | 6.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 58353104 | 109779 | 0 | None | 4 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | CCC[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 | ||
| CHEMBL3237923 | 109779 | 0 | None | 4 | 2 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | CCC[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 | ||
| 145967685 | 164558 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227364 | 164558 | 0 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 45381268 | 109782 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 609 | 7 | 2 | 6 | 6.4 | CC(C)[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 | ||
| CHEMBL3237926 | 109782 | 0 | None | - | 1 | Human | 5.7 | pIC50 | = | 5.7 | Functional | ChEMBL | 609 | 7 | 2 | 6 | 6.4 | CC(C)[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 | ||
| 10459436 | 133073 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 523 | 5 | 2 | 5 | 5.1 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL371259 | 133073 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 523 | 5 | 2 | 5 | 5.1 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 44561556 | 188690 | 0 | None | 213 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | 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 | 188690 | 0 | None | 213 | 2 | Human | 7.6 | pIC50 | = | 7.6 | Functional | 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 | ||
| 11421826 | 68556 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 576 | 6 | 2 | 8 | 5.2 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922696 | 68556 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 576 | 6 | 2 | 8 | 5.2 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 164628536 | 185883 | 0 | None | -2 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876736 | 185883 | 0 | None | -2 | 2 | Mouse | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11592461 | 80984 | 0 | None | 64 | 2 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 80984 | 0 | None | 64 | 2 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
| 11180162 | 68569 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 534 | 6 | 2 | 7 | 4.9 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922709 | 68569 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 534 | 6 | 2 | 7 | 4.9 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 10008376 | 56628 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644181 | 56628 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 71202743 | 109798 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| CHEMBL3238224 | 109798 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| 145967899 | 164538 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2c(ccn2C)c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227099 | 164538 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 574 | 8 | 2 | 5 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2c(ccn2C)c1 | 10.1016/j.bmc.2018.02.036 | ||
| 44404243 | 140738 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL383135 | 140738 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 60170766 | 80966 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2cccc(OC(F)(F)F)c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159326 | 80966 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2cccc(OC(F)(F)F)c2)cc1 | 10.1021/jm300579z | ||
| 145970933 | 164599 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 557 | 8 | 2 | 4 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227967 | 164599 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 557 | 8 | 2 | 4 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| 11650288 | 80973 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cccc(OC(F)(F)F)c3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159333 | 80973 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cccc(OC(F)(F)F)c3c2)cc1 | 10.1021/jm300579z | ||
| 122189716 | 122867 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 660 | 13 | 2 | 7 | 7.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616695 | 122867 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 660 | 13 | 2 | 7 | 7.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 57401359 | 68660 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 592 | 13 | 2 | 4 | 7.8 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922940 | 68660 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 592 | 13 | 2 | 4 | 7.8 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 58353323 | 109795 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238221 | 109795 | 0 | None | 1 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11284982 | 68623 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 614 | 10 | 2 | 9 | 5.8 | CCCCOc1cc(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 | ||
| CHEMBL1922837 | 68623 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 614 | 10 | 2 | 9 | 5.8 | CCCCOc1cc(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 | ||
| 57393262 | 68561 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1cccc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922701 | 68561 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1cccc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 10072624 | 71931 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 453 | 5 | 2 | 5 | 4.1 | CC(C)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198259 | 71931 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 453 | 5 | 2 | 5 | 4.1 | CC(C)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2005.06.101 | ||
| 122189569 | 122823 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616580 | 122823 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189719 | 122870 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 683 | 12 | 2 | 5 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616698 | 122870 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 683 | 12 | 2 | 5 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 58352868 | 109753 | 0 | None | 6 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 585 | 8 | 2 | 4 | 6.6 | CC(CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237898 | 109753 | 0 | None | 6 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 585 | 8 | 2 | 4 | 6.6 | CC(CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 53469058 | 109805 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | 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)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238231 | 109805 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | 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)CC2 | 10.1021/jm401858f | ||
| 145989050 | 164670 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4229115 | 164670 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 9985625 | 56630 | 0 | None | -33 | 5 | Rat | 5.6 | pIC50 | = | 5.6 | 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 | 56630 | 0 | None | -33 | 5 | Rat | 5.6 | pIC50 | = | 5.6 | 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 | ||
| 127047256 | 139241 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 595 | 8 | 2 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798581 | 139241 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 595 | 8 | 2 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 127047906 | 139260 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 627 | 7 | 1 | 5 | 8.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCCC(C(=O)O)C4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798731 | 139260 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 627 | 7 | 1 | 5 | 8.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCCC(C(=O)O)C4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 164624673 | 185409 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 3012 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4870133 | 185409 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 3012 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 145968206 | 164640 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 6.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228703 | 164640 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 533 | 9 | 2 | 5 | 6.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 60171062 | 80993 | 0 | None | 104 | 2 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 80993 | 0 | None | 104 | 2 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
| 58353206 | 109778 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 595 | 7 | 2 | 6 | 6.2 | 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 | ||
| CHEMBL3237922 | 109778 | 0 | None | 2 | 2 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 595 | 7 | 2 | 6 | 6.2 | 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 | ||
| 122189571 | 122825 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(OC)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616582 | 122825 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(OC)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| 53469820 | 109814 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 627 | 8 | 2 | 4 | 7.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238241 | 109814 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 627 | 8 | 2 | 4 | 7.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 141465337 | 164536 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 541 | 8 | 2 | 4 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227068 | 164536 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 541 | 8 | 2 | 4 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| 164626335 | 185783 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 3141 | 102 | 49 | 45 | -14.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4875380 | 185783 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 3141 | 102 | 49 | 45 | -14.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 44431016 | 143712 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 574 | 8 | 2 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL390469 | 143712 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 574 | 8 | 2 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11432140 | 175555 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 506 | 7 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C3CCCCC3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459208 | 175555 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 506 | 7 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C3CCCCC3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11308245 | 68622 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 648 | 10 | 2 | 9 | 6.1 | CCCCOc1cc(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 | ||
| CHEMBL1922836 | 68622 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 648 | 10 | 2 | 9 | 6.1 | CCCCOc1cc(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 | ||
| 58352940 | 109756 | 0 | None | 4 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237901 | 109756 | 0 | None | 4 | 3 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10099927 | 135586 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 589 | 8 | 2 | 4 | 6.6 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL373234 | 135586 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 589 | 8 | 2 | 4 | 6.6 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10437700 | 134851 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1Cl)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL372784 | 134851 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1Cl)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 11952035 | 150938 | 0 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | 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 | 150938 | 0 | None | 3 | 2 | Human | 5.5 | pIC50 | = | 5.5 | 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 | ||
| 11353908 | 68624 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 600 | 8 | 2 | 9 | 5.4 | CC(C)Oc1cc(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 | ||
| CHEMBL1922838 | 68624 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 600 | 8 | 2 | 9 | 5.4 | CC(C)Oc1cc(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 | ||
| 58353132 | 109738 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237884 | 109738 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 71202253 | 122967 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 589 | 8 | 2 | 6 | 6.8 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(C2CCCCC2)=NC12CCC(C(C)(C)C)CC2 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617562 | 122967 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 589 | 8 | 2 | 6 | 6.8 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(C2CCCCC2)=NC12CCC(C(C)(C)C)CC2 | 10.1016/j.bmcl.2015.07.092 | ||
| 58352762 | 109772 | 0 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2Cl)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237916 | 109772 | 0 | None | 4 | 2 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2Cl)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 68860750 | 113489 | 1 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 437 | 8 | 3 | 6 | 4.4 | CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326188 | 113489 | 1 | None | -1 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 437 | 8 | 3 | 6 | 4.4 | CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 11527170 | 80976 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159336 | 80976 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 23550062 | 71461 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 559 | 7 | 3 | 6 | 6.0 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196800 | 71461 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 559 | 7 | 3 | 6 | 6.0 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10416067 | 71469 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 593 | 6 | 2 | 5 | 6.2 | CC(c1ccc(Br)cc1)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196844 | 71469 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 593 | 6 | 2 | 5 | 6.2 | CC(c1ccc(Br)cc1)N1CC2(CCC(C(C)(C)C)CC2)N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C1=O | 10.1016/j.bmcl.2005.06.101 | ||
| 57399593 | 68638 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922919 | 68638 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11657413 | 80971 | 0 | None | 44 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 80971 | 0 | None | 44 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| 58653097 | 78614 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 605 | 8 | 3 | 5 | 5.6 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL2113103 | 78614 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 605 | 8 | 3 | 5 | 5.6 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 44372478 | 51578 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1021/jm050563r | ||
| CHEMBL158548 | 51578 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1021/jm050563r | ||
| 11585452 | 80978 | 0 | None | 47 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| CHEMBL2159338 | 80978 | 0 | None | 47 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| CHEMBL524883 | 213852 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CSSC[C@@H](C(=O)OC)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@@H]3CCCN3C1=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O | 10.1021/np040093o | ||||
| 58353274 | 109748 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccccc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237893 | 109748 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 489 | 7 | 2 | 4 | 4.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccccc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 44404243 | 140738 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL383135 | 140738 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 571 | 6 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 11952211 | 87523 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 87523 | 0 | None | 1 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| 10415723 | 56631 | 0 | None | 63 | 2 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 56631 | 0 | None | 63 | 2 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
| 145969298 | 164549 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227229 | 164549 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 10031040 | 165609 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL426295 | 165609 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10054055 | 71976 | 11 | None | 7 | 3 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 71976 | 11 | None | 7 | 3 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| 57399594 | 68650 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 585 | 11 | 2 | 5 | 6.7 | CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922930 | 68650 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 585 | 11 | 2 | 5 | 6.7 | CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11754125 | 78541 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 7 | 1 | 6 | 6.3 | CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL2112992 | 78541 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 7 | 1 | 6 | 6.3 | CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 58352925 | 109757 | 0 | None | 12 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C3CC3)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237902 | 109757 | 0 | None | 12 | 2 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 543 | 8 | 2 | 4 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C3CC3)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44431012 | 150373 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 607 | 7 | 3 | 7 | 6.0 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL395760 | 150373 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 607 | 7 | 3 | 7 | 6.0 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 164613898 | 184139 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 2969 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4850520 | 184139 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 2969 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 10053841 | 56629 | 0 | None | 85 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 56629 | 0 | None | 85 | 2 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| 16224591 | 68639 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922920 | 68639 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 57394374 | 68657 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 608 | 14 | 2 | 5 | 7.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922937 | 68657 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 608 | 14 | 2 | 5 | 7.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 58353778 | 109758 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237903 | 109758 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53469821 | 109813 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 655 | 10 | 2 | 4 | 8.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238240 | 109813 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 655 | 10 | 2 | 4 | 8.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 127047121 | 139434 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 519 | 7 | 2 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799820 | 139434 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 519 | 7 | 2 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 | 10.1016/j.bmc.2016.04.053 | ||
| 10369580 | 71868 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 525 | 7 | 2 | 3 | 6.0 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198094 | 71868 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 525 | 7 | 2 | 3 | 6.0 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10052441 | 133107 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL371476 | 133107 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10007881 | 165364 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL425024 | 165364 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 555 | 5 | 2 | 5 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189580 | 122834 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 7.7 | COc1ccc(Cl)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616591 | 122834 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 637 | 10 | 2 | 6 | 7.7 | COc1ccc(Cl)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 57396140 | 68654 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 12 | 2 | 4 | 8.0 | CC(C)CC[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 | ||
| CHEMBL1922934 | 68654 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 612 | 12 | 2 | 4 | 8.0 | CC(C)CC[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 | ||
| 122189578 | 122832 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 699 | 12 | 2 | 6 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616589 | 122832 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 699 | 12 | 2 | 6 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 68243839 | 109799 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1ccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238225 | 109799 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1ccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)cc1 | 10.1021/jm401858f | ||
| 71454981 | 80985 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 589 | 9 | 2 | 4 | 8.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1 | 10.1021/jm300579z | ||
| CHEMBL2159344 | 80985 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 589 | 9 | 2 | 4 | 8.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1 | 10.1021/jm300579z | ||
| 122189581 | 122835 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 639 | 10 | 2 | 6 | 7.4 | COc1cc(F)c(F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616592 | 122835 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 639 | 10 | 2 | 6 | 7.4 | COc1cc(F)c(F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 10483611 | 56626 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 593 | 10 | 2 | 6 | 6.3 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644179 | 56626 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 593 | 10 | 2 | 6 | 6.3 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 45381381 | 109788 | 0 | None | 2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 663 | 8 | 2 | 6 | 7.1 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238214 | 109788 | 0 | None | 2 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 663 | 8 | 2 | 6 | 7.1 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 71202712 | 109810 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238236 | 109810 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 145969968 | 164527 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 615 | 10 | 2 | 5 | 8.2 | CCOc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4226972 | 164527 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 615 | 10 | 2 | 5 | 8.2 | CCOc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 56602804 | 109807 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 555 | 8 | 2 | 6 | 5.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | 10.1021/jm401858f | ||
| CHEMBL3238233 | 109807 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 555 | 8 | 2 | 6 | 5.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | 10.1021/jm401858f | ||
| 44561438 | 188814 | 0 | None | 204 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | 188814 | 0 | None | 204 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | 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 | ||
| 45381051 | 109780 | 0 | None | 4 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CCCC[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 | ||
| CHEMBL3237924 | 109780 | 0 | None | 4 | 2 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CCCC[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 | ||
| 122189574 | 122828 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616585 | 122828 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| 16223791 | 68644 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 12 | 2 | 5 | 7.4 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922925 | 68644 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 614 | 12 | 2 | 5 | 7.4 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11950972 | 160685 | 0 | None | 3 | 2 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 160685 | 0 | None | 3 | 2 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 164621209 | 185670 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 2982 | 98 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4873721 | 185670 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 2982 | 98 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11249762 | 183259 | 0 | None | 1122 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | 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 | 183259 | 0 | None | 1122 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | 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 | ||
| 122190363 | 122980 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617575 | 122980 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 44575544 | 173426 | 0 | None | 3 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 794 | 5 | 5 | 13 | 3.0 | CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C | 10.1021/np3000359 | ||
| CHEMBL454246 | 173426 | 0 | None | 3 | 4 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 794 | 5 | 5 | 13 | 3.0 | CC(C)CC(=O)O[C@H]1/C=C/C=C/C(=O)O[C@H]2[C@@H](C)C[C@@H]3[C@]2(O)[C@H](O)[C@@]2(CO)O[C@H]2[C@H]2[C@H]4OC5(c6ccccc6)O[C@@H]([C@@H](C)[C@@]23O5)[C@@]4(O)[C@](C)(O)C[C@H]2CC[C@H]1[C@H]2C | 10.1021/np3000359 | ||
| 164617806 | 184099 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2984 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4849980 | 184099 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 2984 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 9985625 | 56630 | 0 | None | -5 | 5 | Dog | 6.4 | pIC50 | = | 6.4 | 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 | 56630 | 0 | None | -5 | 5 | Dog | 6.4 | pIC50 | = | 6.4 | 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 | ||
| 71202713 | 109811 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238237 | 109811 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 22004955 | 93050 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL24616 | 93050 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 10325599 | 140776 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 565 | 6 | 2 | 7 | 4.3 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL383370 | 140776 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 565 | 6 | 2 | 7 | 4.3 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189701 | 122852 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 609 | 9 | 2 | 5 | 7.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616680 | 122852 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 609 | 9 | 2 | 5 | 7.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11490393 | 68572 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 606 | 7 | 2 | 9 | 5.0 | COc1cc(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 | ||
| CHEMBL1922712 | 68572 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 606 | 7 | 2 | 9 | 5.0 | COc1cc(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 | ||
| 10435275 | 123346 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 8 | 1 | 4 | 6.7 | CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL362657 | 123346 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 479 | 8 | 1 | 4 | 6.7 | CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 145990090 | 166448 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 4.7 | CCCCC(Oc1ncc(-c2ccccc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4288074 | 166448 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 4.7 | CCCCC(Oc1ncc(-c2ccccc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 58353126 | 109790 | 0 | None | 7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 635 | 8 | 2 | 6 | 7.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238216 | 109790 | 0 | None | 7 | 2 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 635 | 8 | 2 | 6 | 7.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 57397957 | 68652 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 12 | 2 | 4 | 7.7 | CCCC[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 | ||
| CHEMBL1922932 | 68652 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 12 | 2 | 4 | 7.7 | CCCC[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 | ||
| 10007966 | 72154 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 559 | 7 | 2 | 3 | 6.6 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL199013 | 72154 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 559 | 7 | 2 | 3 | 6.6 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 44404234 | 124431 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 5 | 2 | 5 | 5.2 | Cc1ccc(N2CC3(CCC(C(C)(C)C)CC3)N(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL364288 | 124431 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 501 | 5 | 2 | 5 | 5.2 | Cc1ccc(N2CC3(CCC(C(C)(C)C)CC3)N(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)C2=O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10007966 | 72154 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 559 | 7 | 2 | 3 | 6.6 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL199013 | 72154 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 559 | 7 | 2 | 3 | 6.6 | CC(C)(C)C1CCC2(CC1)CN(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189705 | 122856 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 9 | 2 | 6 | 7.0 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(C#N)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616684 | 122856 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 598 | 9 | 2 | 6 | 7.0 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(C#N)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11785044 | 189074 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL515202 | 189074 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 58352863 | 109759 | 0 | None | 13 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237904 | 109759 | 0 | None | 13 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 122189703 | 122854 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616682 | 122854 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 9985625 | 56630 | 0 | None | 5 | 5 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 56630 | 0 | None | 5 | 5 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 57392671 | 68659 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 646 | 13 | 2 | 4 | 8.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922939 | 68659 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 646 | 13 | 2 | 4 | 8.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11950971 | 150371 | 0 | None | 2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 150371 | 0 | None | 2 | 2 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 164627630 | 185758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 3033 | 97 | 46 | 42 | -11.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4875003 | 185758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 3033 | 97 | 46 | 42 | -11.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 57400189 | 68565 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922705 | 68565 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 58353662 | 109760 | 0 | None | 16 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237905 | 109760 | 0 | None | 16 | 3 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL526383 | 213908 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)C[C@@H]2NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CSSC[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@@H]3CCCN3C1=O)NC(=O)CNC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC2=O | 10.1021/np040093o | ||||
| 145968045 | 164394 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4cccc(C(F)(F)F)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4224961 | 164394 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4cccc(C(F)(F)F)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 10346647 | 139824 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL380771 | 139824 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 16223987 | 68637 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922918 | 68637 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 145971078 | 164456 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4225922 | 164456 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| 141465324 | 164560 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1cccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227372 | 164560 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1cccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| 53466721 | 109817 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 665 | 8 | 2 | 6 | 8.1 | C[C@@H](NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1)c1nnn[nH]1 | 10.1021/jm401858f | ||
| CHEMBL3238245 | 109817 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 665 | 8 | 2 | 6 | 8.1 | C[C@@H](NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1)c1nnn[nH]1 | 10.1021/jm401858f | ||
| 127047907 | 139392 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 627 | 7 | 1 | 5 | 8.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799556 | 139392 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 627 | 7 | 1 | 5 | 8.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 10031040 | 165609 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL426295 | 165609 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189717 | 122868 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 681 | 12 | 2 | 5 | 9.2 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)cc(Cl)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616696 | 122868 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 681 | 12 | 2 | 5 | 9.2 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)cc(Cl)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 23550062 | 56563 | 0 | None | 3 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 56563 | 0 | None | 3 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 53469443 | 109818 | 0 | None | 3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 109818 | 0 | None | 3 | 3 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 11952211 | 153207 | 0 | None | 7 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 153207 | 0 | None | 7 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 11949739 | 160686 | 0 | None | 57 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 160686 | 0 | None | 57 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 23550062 | 71461 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 559 | 7 | 3 | 6 | 6.0 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196800 | 71461 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 559 | 7 | 3 | 6 | 6.0 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1016/j.bmcl.2005.06.101 | ||
| 145970930 | 164598 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4ccc(Cl)c(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227964 | 164598 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4ccc(Cl)c(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 10326056 | 56627 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 589 | 8 | 2 | 8 | 5.8 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644180 | 56627 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 589 | 8 | 2 | 8 | 5.8 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 60171061 | 80992 | 0 | None | 114 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 80992 | 0 | None | 114 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 164620673 | 185436 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 2982 | 97 | 45 | 41 | -11.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(C)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4870505 | 185436 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 2982 | 97 | 45 | 41 | -11.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(C)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 164629129 | 185895 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 2997 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876913 | 185895 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 2997 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 122189576 | 122830 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 628 | 11 | 2 | 4 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616587 | 122830 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 628 | 11 | 2 | 4 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 53469628 | 109808 | 0 | None | 19 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 641 | 9 | 2 | 4 | 8.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238234 | 109808 | 0 | None | 19 | 3 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 641 | 9 | 2 | 4 | 8.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353156 | 109761 | 0 | None | 13 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237906 | 109761 | 0 | None | 13 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 45381049 | 109800 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 618 | 8 | 2 | 7 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238226 | 109800 | 0 | None | -1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 618 | 8 | 2 | 7 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11952211 | 87523 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 87523 | 0 | None | 1 | 2 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 57391519 | 68562 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 576 | 6 | 2 | 8 | 4.9 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922702 | 68562 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 576 | 6 | 2 | 8 | 4.9 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 16224781 | 68647 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 6.1 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922928 | 68647 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 574 | 11 | 2 | 6 | 6.1 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2011.09.105 | ||
| 58353369 | 109762 | 0 | None | 6 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 517 | 7 | 2 | 4 | 5.5 | Cc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| CHEMBL3237907 | 109762 | 0 | None | 6 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 517 | 7 | 2 | 4 | 5.5 | Cc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| 122189573 | 122827 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(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 | ||
| CHEMBL3616584 | 122827 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(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 | ||
| 68860750 | 113489 | 1 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 437 | 8 | 3 | 6 | 4.4 | CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326188 | 113489 | 1 | None | 1 | 2 | Rat | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 437 | 8 | 3 | 6 | 4.4 | CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 122189577 | 122831 | 0 | None | 588 | 2 | Human | 8.3 | pIC50 | = | 8.3 | 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 | 122831 | 0 | None | 588 | 2 | Human | 8.3 | pIC50 | = | 8.3 | 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 | ||
| 60171059 | 80990 | 0 | None | 407 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 80990 | 0 | None | 407 | 4 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 11952394 | 86584 | 0 | None | 660 | 2 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 86584 | 0 | None | 660 | 2 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 11950075 | 86386 | 0 | None | 9 | 2 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 86386 | 0 | None | 9 | 2 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 58352836 | 109739 | 0 | None | 19 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237885 | 109739 | 0 | None | 19 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 53469258 | 109806 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 595 | 8 | 2 | 6 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2 | 10.1021/jm401858f | ||
| CHEMBL3238232 | 109806 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 595 | 8 | 2 | 6 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2 | 10.1021/jm401858f | ||
| 58352938 | 109751 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237896 | 109751 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10257529 | 71371 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196560 | 71371 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189695 | 122846 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616674 | 122846 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 58352937 | 109803 | 0 | None | 4 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238229 | 109803 | 0 | None | 4 | 2 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 57396138 | 68635 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 572 | 11 | 2 | 4 | 7.6 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922916 | 68635 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 572 | 11 | 2 | 4 | 7.6 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 58353839 | 109812 | 0 | None | 24 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 655 | 9 | 2 | 4 | 8.7 | C[C@H](CC(=O)O)NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238238 | 109812 | 0 | None | 24 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 655 | 9 | 2 | 4 | 8.7 | C[C@H](CC(=O)O)NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1 | 10.1021/jm401858f | ||
| 127047255 | 139492 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 525 | 7 | 2 | 5 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccs1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3800146 | 139492 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 525 | 7 | 2 | 5 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccs1 | 10.1016/j.bmc.2016.04.053 | ||
| 11950795 | 86390 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 86390 | 0 | None | 1 | 2 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 45381153 | 109777 | 0 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 607 | 7 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 | 10.1021/jm401858f | ||
| CHEMBL3237921 | 109777 | 0 | None | 3 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 607 | 7 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 | 10.1021/jm401858f | ||
| 11785044 | 175645 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459457 | 175645 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 57397956 | 68640 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCC[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 | ||
| CHEMBL1922921 | 68640 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCC[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 | ||
| 57390854 | 68655 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 596 | 11 | 2 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(C[C@H](CC2CC2)C(=O)c2cc3cc(Cl)ccc3n2-c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922935 | 68655 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 596 | 11 | 2 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(C[C@H](CC2CC2)C(=O)c2cc3cc(Cl)ccc3n2-c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11570626 | 2513 | 40 | None | -3 | 9 | Rhesus macaque | 7.3 | pIC50 | = | 7.3 | 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 | 2513 | 40 | None | -3 | 9 | Rhesus macaque | 7.3 | pIC50 | = | 7.3 | 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 | 2513 | 40 | None | -3 | 9 | Rhesus macaque | 7.3 | pIC50 | = | 7.3 | 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 | 2513 | 40 | None | -3 | 9 | Rhesus macaque | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 58352952 | 109763 | 0 | None | 13 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(Cl)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237908 | 109763 | 0 | None | 13 | 3 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(Cl)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 145989480 | 164657 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 560 | 8 | 3 | 4 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2[nH]ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228938 | 164657 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 560 | 8 | 3 | 4 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2[nH]ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 122189702 | 122853 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 675 | 9 | 2 | 5 | 8.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616681 | 122853 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 675 | 9 | 2 | 5 | 8.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 10076914 | 56636 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 579 | 9 | 2 | 6 | 5.9 | O=C(O)CNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644189 | 56636 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 579 | 9 | 2 | 6 | 5.9 | O=C(O)CNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 58352858 | 109764 | 0 | None | 8 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237909 | 109764 | 0 | None | 8 | 2 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11699553 | 80968 | 0 | None | 72 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 80968 | 0 | None | 72 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 10413333 | 62690 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 7.1 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(Cc1ccc(Cl)cc1Cl)C(C)C)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL178768 | 62690 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 491 | 8 | 1 | 4 | 7.1 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(Cc1ccc(Cl)cc1Cl)C(C)C)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 44389598 | 64541 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL182148 | 64541 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 122189709 | 122860 | 0 | None | 239 | 2 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 122860 | 0 | None | 239 | 2 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 164624163 | 185233 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 2970 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4867132 | 185233 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 2970 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 10257529 | 71371 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196560 | 71371 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 575 | 8 | 2 | 4 | 6.2 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(OC(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 145989947 | 166241 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 489 | 11 | 2 | 5 | 6.0 | CCCCC(Oc1ncc(-c2ccc(C(C)(C)C)cc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4284236 | 166241 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 489 | 11 | 2 | 5 | 6.0 | CCCCC(Oc1ncc(-c2ccc(C(C)(C)C)cc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 10369580 | 71868 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 525 | 7 | 2 | 3 | 6.0 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198094 | 71868 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 525 | 7 | 2 | 3 | 6.0 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 57401963 | 68558 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 604 | 8 | 2 | 8 | 6.1 | CCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922698 | 68558 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 604 | 8 | 2 | 8 | 6.1 | CCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 11949740 | 156184 | 0 | None | 194 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 156184 | 0 | None | 194 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 53377591 | 122969 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 683 | 11 | 2 | 7 | 8.1 | CC(C)(C)CCOc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617564 | 122969 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 683 | 11 | 2 | 7 | 8.1 | CC(C)(C)CCOc1cccc(C2=NC3(CCC(C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 | 10.1016/j.bmcl.2015.07.092 | ||
| 44404222 | 71623 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 505 | 5 | 2 | 5 | 5.0 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197340 | 71623 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 505 | 5 | 2 | 5 | 5.0 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 44561519 | 178608 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 564 | 6 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Br)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL472325 | 178608 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 564 | 6 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Br)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11599295 | 183219 | 0 | None | 229 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | 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 | 183219 | 0 | None | 229 | 2 | Human | 7.2 | pIC50 | = | 7.2 | Functional | 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 | ||
| 44389632 | 62940 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 463 | 7 | 1 | 4 | 6.3 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)Cc1ccc(Cl)cc1Cl)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL179181 | 62940 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 463 | 7 | 1 | 4 | 6.3 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)Cc1ccc(Cl)cc1Cl)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 60170968 | 80986 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 2 | 5 | 5.5 | COc1ccc2cc(-c3cc(C(F)(F)F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159345 | 80986 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 511 | 8 | 2 | 5 | 5.5 | COc1ccc2cc(-c3cc(C(F)(F)F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 58352834 | 109766 | 0 | None | 10 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 2 | 4 | 5.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237910 | 109766 | 0 | None | 10 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 2 | 4 | 5.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353350 | 109767 | 0 | None | 6 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237911 | 109767 | 0 | None | 6 | 2 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 127047120 | 139196 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 577 | 7 | 2 | 6 | 6.0 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798231 | 139196 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 577 | 7 | 2 | 6 | 6.0 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmc.2016.04.053 | ||
| 127046643 | 139266 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 577 | 8 | 2 | 4 | 8.0 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798761 | 139266 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 577 | 8 | 2 | 4 | 8.0 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 9873139 | 71887 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 585 | 6 | 2 | 7 | 5.3 | CC(C)(C)C1CCC2(CC1)C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198144 | 71887 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 585 | 6 | 2 | 7 | 5.3 | CC(C)(C)C1CCC2(CC1)C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 60170855 | 80975 | 0 | None | 15 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 80975 | 0 | None | 15 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 11433550 | 68560 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 620 | 9 | 2 | 9 | 5.3 | COCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922700 | 68560 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 620 | 9 | 2 | 9 | 5.3 | COCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 10459436 | 133073 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 523 | 5 | 2 | 5 | 5.1 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL371259 | 133073 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 523 | 5 | 2 | 5 | 5.1 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(F)c(F)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 122189699 | 122850 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cn1 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616678 | 122850 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cn1 | 10.1016/j.bmcl.2015.08.015 | ||
| 9906120 | 94842 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25637 | 94842 | 1 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 10461010 | 56633 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 587 | 8 | 2 | 7 | 5.9 | O=C(NCc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644186 | 56633 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 587 | 8 | 2 | 7 | 5.9 | O=C(NCc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11757662 | 71914 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 565 | 5 | 2 | 5 | 5.6 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Br)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL198214 | 71914 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 565 | 5 | 2 | 5 | 5.6 | CC(C)(C)C1CCC2(CC1)CN(c1ccc(Br)cc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 53469056 | 109804 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CC[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238230 | 109804 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CC[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 71060230 | 122979 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 552 | 9 | 3 | 3 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617574 | 122979 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 552 | 9 | 3 | 3 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 11952214 | 86391 | 0 | None | 6 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 86391 | 0 | None | 6 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 60171060 | 80991 | 0 | None | 158 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 80991 | 0 | None | 158 | 2 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 57403704 | 68631 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 576 | 7 | 2 | 8 | 5.9 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(OC(F)(F)F)cc2)nc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922845 | 68631 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 576 | 7 | 2 | 8 | 5.9 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(OC(F)(F)F)cc2)nc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 58353266 | 109749 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237894 | 109749 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 122189720 | 122871 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 629 | 10 | 2 | 5 | 8.2 | COc1ccc(C(F)(F)F)cc1-c1nn(C(c2ccc(C(=O)NCCC(=O)O)cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616699 | 122871 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 629 | 10 | 2 | 5 | 8.2 | COc1ccc(C(F)(F)F)cc1-c1nn(C(c2ccc(C(=O)NCCC(=O)O)cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 145981450 | 166009 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 501 | 11 | 2 | 5 | 6.0 | CCCCC(Oc1ncc(-c2cc(Cl)cc(Cl)c2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4279713 | 166009 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 501 | 11 | 2 | 5 | 6.0 | CCCCC(Oc1ncc(-c2cc(Cl)cc(Cl)c2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 127047905 | 139236 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 613 | 7 | 1 | 5 | 7.8 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCC(C(=O)O)C4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798548 | 139236 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 613 | 7 | 1 | 5 | 7.8 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCC(C(=O)O)C4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 127047122 | 139384 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 533 | 7 | 2 | 4 | 6.6 | Cc1ccccc1-c1cc(-c2cc(Cl)cc(Cl)c2)nn1C1CCc2cc(C(=O)NCCC(=O)O)ccc21 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799499 | 139384 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 533 | 7 | 2 | 4 | 6.6 | Cc1ccccc1-c1cc(-c2cc(Cl)cc(Cl)c2)nn1C1CCc2cc(C(=O)NCCC(=O)O)ccc21 | 10.1016/j.bmc.2016.04.053 | ||
| 11410779 | 187648 | 0 | None | 371 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | 187648 | 0 | None | 371 | 2 | Human | 8.2 | pIC50 | = | 8.2 | Functional | 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 | ||
| 60170856 | 80982 | 0 | None | 128 | 2 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 80982 | 0 | None | 128 | 2 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 122189722 | 122874 | 0 | None | 295 | 2 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 122874 | 0 | None | 295 | 2 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 57401986 | 68568 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 632 | 9 | 2 | 8 | 6.3 | CCCCc1cc(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 | ||
| CHEMBL1922708 | 68568 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 632 | 9 | 2 | 8 | 6.3 | CCCCc1cc(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 | ||
| 10323446 | 133009 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 493 | 5 | 2 | 5 | 5.0 | CC(C)(C)C1CCC2(CC1)CN(C1CCCCC1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL370847 | 133009 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 493 | 5 | 2 | 5 | 5.0 | CC(C)(C)C1CCC2(CC1)CN(C1CCCCC1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 44561327 | 189860 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 500 | 6 | 2 | 7 | 5.3 | Cc1ccc2c(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 | ||
| CHEMBL517861 | 189860 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 500 | 6 | 2 | 7 | 5.3 | Cc1ccc2c(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 | ||
| 164626834 | 185893 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 3015 | 98 | 46 | 43 | -12.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876838 | 185893 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 3015 | 98 | 46 | 43 | -12.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 16224191 | 68648 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 567 | 11 | 2 | 5 | 6.9 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922929 | 68648 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 567 | 11 | 2 | 5 | 6.9 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11570626 | 2513 | 40 | None | -44 | 9 | Rat | 6.1 | pIC50 | = | 6.1 | 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 | 2513 | 40 | None | -44 | 9 | Rat | 6.1 | pIC50 | = | 6.1 | 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 | 2513 | 40 | None | -44 | 9 | Rat | 6.1 | pIC50 | = | 6.1 | 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 | 2513 | 40 | None | -44 | 9 | Rat | 6.1 | pIC50 | = | 6.1 | 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 | ||
| 11157621 | 68557 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 7 | 2 | 8 | 5.7 | CCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922697 | 68557 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 590 | 7 | 2 | 8 | 5.7 | CCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 11284556 | 68573 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 572 | 7 | 2 | 9 | 4.6 | COc1cc(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 | ||
| CHEMBL1922713 | 68573 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 572 | 7 | 2 | 9 | 4.6 | COc1cc(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 | ||
| 164624086 | 185121 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 3084 | 100 | 48 | 44 | -13.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4865509 | 185121 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 3084 | 100 | 48 | 44 | -13.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 58353901 | 109740 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 507 | 7 | 2 | 4 | 4.8 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccccc1F)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237886 | 109740 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 507 | 7 | 2 | 4 | 4.8 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccccc1F)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 10481840 | 71708 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197642 | 71708 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1ccccc1Cl)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 145967583 | 164400 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 547 | 9 | 2 | 5 | 6.8 | COc1ccc2cc(-c3c(C)c(-c4cccc(C)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4225050 | 164400 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 547 | 9 | 2 | 5 | 6.8 | COc1ccc2cc(-c3c(C)c(-c4cccc(C)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 58353025 | 109768 | 0 | None | 8 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)ccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237912 | 109768 | 0 | None | 8 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)ccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58352954 | 109774 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 567 | 5 | 2 | 6 | 6.1 | C[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237918 | 109774 | 0 | None | 1 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 567 | 5 | 2 | 6 | 6.1 | C[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 145968140 | 164539 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.2 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227111 | 164539 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 587 | 9 | 2 | 5 | 7.2 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 122189697 | 122848 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccncc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616676 | 122848 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccncc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 45381380 | 109783 | 0 | None | 3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 623 | 8 | 2 | 6 | 6.8 | CC(C)C[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 | ||
| CHEMBL3237927 | 109783 | 0 | None | 3 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 623 | 8 | 2 | 6 | 6.8 | CC(C)C[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 | ||
| 122189700 | 122851 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ncccc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616679 | 122851 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ncccc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 60170854 | 80974 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 591 | 9 | 2 | 5 | 7.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159334 | 80974 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 591 | 9 | 2 | 5 | 7.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1021/jm300579z | ||
| 58352961 | 109741 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237887 | 109741 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 164616563 | 184824 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2983 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4861024 | 184824 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 2983 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11952035 | 86389 | 0 | None | 10 | 2 | Human | 6.1 | pIC50 | = | 6.1 | 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 | 86389 | 0 | None | 10 | 2 | Human | 6.1 | pIC50 | = | 6.1 | 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 | ||
| 11376210 | 183010 | 0 | None | 1737 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | 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 | 183010 | 0 | None | 1737 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | 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 | ||
| 122189714 | 122865 | 0 | None | 301 | 2 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 122865 | 0 | None | 301 | 2 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 11570626 | 2513 | 40 | None | 3 | 9 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 10.1016/j.bmc.2018.02.036 | ||
| 9135 | 2513 | 40 | None | 3 | 9 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL1933349 | 2513 | 40 | None | 3 | 9 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 10.1016/j.bmc.2018.02.036 | ||
| DB12044 | 2513 | 40 | None | 3 | 9 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 10.1016/j.bmc.2018.02.036 | ||
| 12967031 | 111084 | 0 | None | -2 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1021/jm050563r | ||
| CHEMBL328126 | 111084 | 0 | None | -2 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1021/jm050563r | ||
| 58353489 | 109742 | 0 | None | 12 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237888 | 109742 | 0 | None | 12 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 141465320 | 164613 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 8 | 2 | 4 | 6.6 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228215 | 164613 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 521 | 8 | 2 | 4 | 6.6 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| 164618212 | 184807 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 3029 | 99 | 46 | 43 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4860642 | 184807 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 3029 | 99 | 46 | 43 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 44561390 | 175462 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 480 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C(C)(C)C)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459032 | 175462 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 480 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C(C)(C)C)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 145982299 | 165941 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 525 | 13 | 2 | 6 | 6.5 | CCCCC(Oc1ncc(-c2ccc(Oc3ccccc3)cc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4278513 | 165941 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 525 | 13 | 2 | 6 | 6.5 | CCCCC(Oc1ncc(-c2ccc(Oc3ccccc3)cc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 141465346 | 164628 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1ccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228470 | 164628 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1ccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| 122189707 | 122858 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 605 | 10 | 2 | 8 | 5.9 | COc1nccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)n1 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616686 | 122858 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 605 | 10 | 2 | 8 | 5.9 | COc1nccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)n1 | 10.1016/j.bmcl.2015.08.015 | ||
| 58353679 | 109769 | 0 | None | 2 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237913 | 109769 | 0 | None | 2 | 3 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11951857 | 96539 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 605 | 7 | 3 | 6 | 7.1 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL266489 | 96539 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 605 | 7 | 3 | 6 | 7.1 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 71202679 | 109809 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 637 | 7 | 2 | 6 | 7.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238235 | 109809 | 0 | None | -5 | 2 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 637 | 7 | 2 | 6 | 7.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53466723 | 109815 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 677 | 9 | 2 | 5 | 7.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCS(=O)(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238242 | 109815 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 677 | 9 | 2 | 5 | 7.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCS(=O)(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 145993424 | 166786 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 4.7 | CCCC[C@H](Oc1ncc(-c2ccccc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4294427 | 166786 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 4.7 | CCCC[C@H](Oc1ncc(-c2ccccc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 10077102 | 71734 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 589 | 8 | 2 | 5 | 5.7 | CC(C)(C)C1CCC2(CC1)C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL197718 | 71734 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 589 | 8 | 2 | 5 | 5.7 | CC(C)(C)C1CCC2(CC1)C(=O)N(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 141465319 | 164591 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 527 | 8 | 2 | 5 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccs1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227906 | 164591 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 527 | 8 | 2 | 5 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccs1 | 10.1016/j.bmc.2018.02.036 | ||
| 90655065 | 109816 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 667 | 9 | 4 | 7 | 7.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC2=NNNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238243 | 109816 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 667 | 9 | 4 | 7 | 7.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC2=NNNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10435562 | 71116 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 5 | 2 | 5 | 4.9 | CC(C)(C)C1CCC2(CC1)CN(c1ccccc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL196193 | 71116 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 487 | 5 | 2 | 5 | 4.9 | CC(C)(C)C1CCC2(CC1)CN(c1ccccc1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 11169089 | 187712 | 0 | None | 676 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | 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 | 187712 | 0 | None | 676 | 2 | Human | 8.1 | pIC50 | = | 8.1 | Functional | 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 | ||
| 122189710 | 122861 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 675 | 13 | 2 | 6 | 9.1 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(SC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616689 | 122861 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 675 | 13 | 2 | 6 | 9.1 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(SC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 60170768 | 80969 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 573 | 9 | 2 | 5 | 6.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159329 | 80969 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 573 | 9 | 2 | 5 | 6.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 58353695 | 109770 | 0 | None | 7 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237914 | 109770 | 0 | None | 7 | 2 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 9986018 | 133067 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 599 | 7 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL371235 | 133067 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 599 | 7 | 2 | 6 | 5.8 | CC(C)(C)C1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 10054055 | 71976 | 11 | None | 7 | 3 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 71976 | 11 | None | 7 | 3 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 145986381 | 166545 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 4.7 | CCCC[C@@H](Oc1ncc(-c2ccccc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| CHEMBL4289916 | 166545 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 433 | 11 | 2 | 5 | 4.7 | CCCC[C@@H](Oc1ncc(-c2ccccc2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmc.2018.10.013 | ||
| 10052441 | 133107 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| CHEMBL371476 | 133107 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 521 | 5 | 2 | 5 | 5.5 | CC(C)(C)C1CCC2(CC1)CN(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)Nc2nn[nH]n2)cc1 | 10.1016/j.bmcl.2005.06.101 | ||
| 57396139 | 68646 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 596 | 12 | 2 | 5 | 7.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922927 | 68646 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 596 | 12 | 2 | 5 | 7.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11238073 | 68563 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922703 | 68563 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 134304209 | 169066 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1ccc2c(cnn2C(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)c1Cl | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4437105 | 169066 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1ccc2c(cnn2C(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)c1Cl | 10.1016/j.bmcl.2019.05.036 | ||
| 134304141 | 174062 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2C(CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4557989 | 174062 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2C(CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304824 | 174126 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 510 | 9 | 2 | 3 | 7.4 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ccc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4559572 | 174126 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 510 | 9 | 2 | 3 | 7.4 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ccc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 155538812 | 172691 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 455 | 9 | 2 | 4 | 5.5 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccccc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4524978 | 172691 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6.0 | Functional | ChEMBL | 455 | 9 | 2 | 4 | 5.5 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccccc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304142 | 172248 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.8 | CC(C)(C)c1ccc(-c2ccc3c(cnn3C(CC3CCCCC3)c3ccc(C(=O)NCCC(=O)O)cc3)c2)cc1 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4513964 | 172248 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.8 | CC(C)(C)c1ccc(-c2ccc3c(cnn3C(CC3CCCCC3)c3ccc(C(=O)NCCC(=O)O)cc3)c2)cc1 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304160 | 171018 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2C(CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4465107 | 171018 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2C(CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304713 | 174885 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 522 | 9 | 2 | 3 | 7.2 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ccc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4576987 | 174885 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 522 | 9 | 2 | 3 | 7.2 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ccc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304136 | 170154 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 511 | 9 | 2 | 4 | 6.8 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4452109 | 170154 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 511 | 9 | 2 | 4 | 6.8 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134309610 | 171490 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4471941 | 171490 | 0 | None | - | 0 | Human | 6.9 | pKi | = | 6.9 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| 155515237 | 169369 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 553 | 10 | 2 | 6 | 5.3 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(N4CCN(C)CC4)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4441433 | 169369 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 553 | 10 | 2 | 6 | 5.3 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(N4CCN(C)CC4)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304208 | 174150 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4560114 | 174150 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| 155526074 | 170478 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 525 | 9 | 2 | 4 | 7.1 | Cc1cc(-c2ccc(C(C)(C)C)cc2)cc2cn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)nc12 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4456905 | 170478 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 525 | 9 | 2 | 4 | 7.1 | Cc1cc(-c2ccc(C(C)(C)C)cc2)cc2cn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)nc12 | 10.1016/j.bmcl.2019.05.036 | ||
| 155539799 | 172313 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 505 | 9 | 2 | 4 | 6.7 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3cccc4ccccc34)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4515516 | 172313 | 0 | None | - | 0 | Human | 5.9 | pKi | = | 5.9 | Functional | ChEMBL | 505 | 9 | 2 | 4 | 6.7 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3cccc4ccccc34)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304129 | 172236 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1cc2cnn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)c2cc1C | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4513792 | 172236 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1cc2cnn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)c2cc1C | 10.1016/j.bmcl.2019.126668 | ||
| 134304077 | 174455 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 525 | 10 | 2 | 4 | 7.2 | CC(C)CCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4567337 | 174455 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 525 | 10 | 2 | 4 | 7.2 | CC(C)CCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304151 | 168947 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2n1 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4434750 | 168947 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc2n1 | 10.1016/j.bmcl.2019.05.036 | ||
| 155558364 | 174165 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.9 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3cc(Cl)cc(Cl)c3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4560433 | 174165 | 0 | None | - | 0 | Human | 5.8 | pKi | = | 5.8 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.9 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3cc(Cl)cc(Cl)c3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304194 | 174097 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 558 | 9 | 2 | 5 | 6.6 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)nc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4558907 | 174097 | 0 | None | - | 0 | Human | 6.8 | pKi | = | 6.8 | Functional | ChEMBL | 558 | 9 | 2 | 5 | 6.6 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)nc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304075 | 170117 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 567 | 10 | 2 | 5 | 6.9 | COc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2[C@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4451707 | 170117 | 0 | None | - | 0 | Human | 5.7 | pKi | = | 5.7 | Functional | ChEMBL | 567 | 10 | 2 | 5 | 6.9 | COc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2[C@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| 155515554 | 169410 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1Cl | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4441980 | 169410 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1Cl | 10.1016/j.bmcl.2019.05.036 | ||
| 155530534 | 170994 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 539 | 12 | 2 | 4 | 7.8 | CCCCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4464664 | 170994 | 0 | None | - | 0 | Human | 6.7 | pKi | = | 6.7 | Functional | ChEMBL | 539 | 12 | 2 | 4 | 7.8 | CCCCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304091 | 171347 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4469925 | 171347 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304088 | 170937 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 567 | 10 | 2 | 5 | 6.9 | COc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4463908 | 170937 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 567 | 10 | 2 | 5 | 6.9 | COc1c(-c2ccc(C(F)(F)F)cc2C)ccc2c1cnn2[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| 134304234 | 171501 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc2nn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1C | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4472098 | 171501 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc2nn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1C | 10.1016/j.bmcl.2019.126668 | ||
| 134304087 | 175125 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4582082 | 175125 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.126668 | ||
| 134304177 | 175441 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1cc2cn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)nc2cc1C | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4589676 | 175441 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1cc2cn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)nc2cc1C | 10.1016/j.bmcl.2019.126668 | ||
| 155517246 | 169594 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 525 | 11 | 2 | 4 | 7.4 | CCCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4444404 | 169594 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 525 | 11 | 2 | 4 | 7.4 | CCCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134309610 | 171490 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4471941 | 171490 | 0 | None | - | 0 | Human | 6.6 | pKi | = | 6.6 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304232 | 171969 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 469 | 7 | 2 | 4 | 5.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4483722 | 171969 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 469 | 7 | 2 | 4 | 5.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 155541176 | 172413 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 539 | 10 | 2 | 5 | 6.4 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4517914 | 172413 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 539 | 10 | 2 | 5 | 6.4 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(OC(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304074 | 169618 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4444819 | 169618 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304171 | 174452 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4567272 | 174452 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| 155528087 | 170699 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 540 | 10 | 2 | 6 | 5.4 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(N4CCOCC4)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4460356 | 170699 | 0 | None | - | 0 | Human | 5.5 | pKi | = | 5.5 | Functional | ChEMBL | 540 | 10 | 2 | 6 | 5.4 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(N4CCOCC4)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304192 | 174077 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 552 | 9 | 2 | 5 | 6.6 | Cc1cc(C(F)(F)F)ccc1-c1cc2cnn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)nc3)c2cc1C | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4558340 | 174077 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 552 | 9 | 2 | 5 | 6.6 | Cc1cc(C(F)(F)F)ccc1-c1cc2cnn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)nc3)c2cc1C | 10.1016/j.bmcl.2019.05.036 | ||
| 134304119 | 171260 | 6 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc2c(cnn2[C@@H](CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1Cl | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4468579 | 171260 | 6 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc2c(cnn2[C@@H](CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1Cl | 10.1016/j.bmcl.2019.126668 | ||
| 134304096 | 169607 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4444605 | 169607 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn([C@@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.126668 | ||
| 134304090 | 170742 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn([C@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4460982 | 170742 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 587 | 10 | 2 | 5 | 7.2 | COc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn([C@H](CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc12 | 10.1016/j.bmcl.2019.126668 | ||
| 134304131 | 169015 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1cc2cnn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)c2cc1C | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4436021 | 169015 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 551 | 9 | 2 | 4 | 7.2 | Cc1cc(C(F)(F)F)ccc1-c1cc2cnn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)c2cc1C | 10.1016/j.bmcl.2019.05.036 | ||
| 134304190 | 173172 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4536588 | 173172 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2c1cnn2[C@@H](CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2019.126668 | ||
| 134304219 | 173328 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1cc2cn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)nc2cc1Cl | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4540172 | 173328 | 0 | None | - | 0 | Human | 7.4 | pKi | = | 7.4 | Functional | ChEMBL | 571 | 9 | 2 | 4 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1cc2cn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)nc2cc1Cl | 10.1016/j.bmcl.2019.05.036 | ||
| 155536703 | 171634 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4473724 | 171634 | 0 | None | - | 0 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| 134304173 | 170450 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.0 | CCOc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)nc3)cc12 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4456601 | 170450 | 0 | None | - | 0 | Human | 7.2 | pKi | = | 7.2 | Functional | ChEMBL | 602 | 11 | 2 | 6 | 7.0 | CCOc1c(-c2ccc(C(F)(F)F)cc2Cl)ccc2nn(C(CC(C)C)c3ccc(C(=O)NCCC(=O)O)nc3)cc12 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304191 | 169268 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 497 | 9 | 2 | 4 | 6.6 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4439846 | 169268 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 497 | 9 | 2 | 4 | 6.6 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(C)(C)C)cc3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304793 | 175244 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 3 | 7.9 | Cc1cc(C(F)(F)F)ccc1-c1cc(F)c2c(ccn2C(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)c1C | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4584712 | 175244 | 0 | None | - | 0 | Human | 6.2 | pKi | = | 6.2 | Functional | ChEMBL | 568 | 9 | 2 | 3 | 7.9 | Cc1cc(C(F)(F)F)ccc1-c1cc(F)c2c(ccn2C(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)c1C | 10.1016/j.bmcl.2019.05.036 | ||
| 155555973 | 173896 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 506 | 9 | 2 | 5 | 6.1 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc4ncccc4c3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4554170 | 173896 | 0 | None | - | 0 | Human | 6.1 | pKi | = | 6.1 | Functional | ChEMBL | 506 | 9 | 2 | 5 | 6.1 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc4ncccc4c3)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304822 | 169912 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 536 | 9 | 2 | 3 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1ccc2c(ccn2C(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4449022 | 169912 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 536 | 9 | 2 | 3 | 7.5 | Cc1cc(C(F)(F)F)ccc1-c1ccc2c(ccn2C(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)c1 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304145 | 171854 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4476825 | 171854 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)C[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| 134304181 | 169636 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 511 | 9 | 2 | 4 | 6.8 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4445178 | 169636 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 511 | 9 | 2 | 4 | 6.8 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1 | 10.1016/j.bmcl.2019.05.036 | ||
| 134304147 | 171588 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| CHEMBL4473209 | 171588 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 557 | 9 | 2 | 4 | 7.2 | CC(C)CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3Cl)ccc21 | 10.1016/j.bmcl.2019.05.036 | ||
| 155549801 | 173347 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| CHEMBL4540602 | 173347 | 0 | None | - | 0 | Human | 7.0 | pKi | = | 7.0 | Functional | ChEMBL | 523 | 9 | 2 | 4 | 6.6 | CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)n1ncc2cc(-c3ccc(C(F)(F)F)cc3)ccc21 | 10.1016/j.bmcl.2019.126668 | ||
| 1150 | 1360 | 0 | None | - | 1 | Rat | 7.2 | pA2 | = | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 2560175 | ||||
| 1150 | 1360 | 0 | None | - | 1 | Rat | 7.2 | pA2 | = | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 3035568 | ||||
| 126961379 | 216033 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | Drug Central | 3380 | 109 | 52 | 49 | -14.7 | C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=C(C=C3)O)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](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC=N7)N)O | None | ||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 8.1 | pEC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 102331734 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 1136 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 16132283 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 16133817 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 2994 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 3785 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 44278361 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 77077981 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| CHEMBL266481 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| DB00040 | 1784 | 28 | None | -12 | 6 | Human | 9.0 | pEC50 | = | 9 | Functional | Guide to Pharmacology | None | None | None | None | 4305077 | ||||
| 1147 | 1786 | 0 | None | - | 1 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | None | None | None | None | 216670 | ||||
| 194323 | 1786 | 0 | None | - | 1 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | None | None | None | None | 216670 | ||||
| CHEMBL749 | 1786 | 0 | None | - | 1 | Rat | 4.0 | pEC50 | None | 4 | Functional | Guide to Pharmacology | None | None | None | None | 216670 | ||||
| 1146 | 1785 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 210180 | ||||
| 155817398 | 1785 | 0 | None | - | 1 | Rat | 6.0 | pEC50 | None | 6 | Functional | Guide to Pharmacology | None | None | None | None | 210180 | ||||
| 102331734 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 1136 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16132283 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16133817 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 2994 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 3785 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 44278361 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 77077981 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL266481 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| DB00040 | 1784 | 28 | None | -239 | 6 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 23549991 | 2797 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 573 | 8 | 3 | 7 | 5.1 | O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C | 28514451 | ||
| 9574 | 2797 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | Guide to Pharmacology | 573 | 8 | 3 | 7 | 5.1 | O=C(N(c1ccc(cc1)C1CCCCC1)Cc1ccc(cc1)C(=O)Nc1n[nH]nn1)Nc1cccc(c1)S(=O)(=O)C | 28514451 | ||
| 9760 | 2801 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 29300013 | ||||
| 11570626 | 2513 | 40 | None | 3 | 9 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 2513 | 40 | None | 3 | 9 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 2513 | 40 | None | 3 | 9 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 2513 | 40 | None | 3 | 9 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 3505 | 2182 | 39 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10085108 | ||
| 5311276 | 2182 | 39 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10085108 | ||
| CHEMBL351772 | 2182 | 39 | None | 1 | 2 | Human | 8.4 | pIC50 | = | 8.4 | Functional | Guide to Pharmacology | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10085108 | ||
| 1148 | 1893 | 28 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 15561959 | ||
| 619101 | 1893 | 28 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 15561959 | ||
| CHEMBL179281 | 1893 | 28 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 15561959 | ||
| 1148 | 1893 | 28 | None | - | 1 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 15713396 | ||
| 619101 | 1893 | 28 | None | - | 1 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 15713396 | ||
| CHEMBL179281 | 1893 | 28 | None | - | 1 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 15713396 | ||
| 1151 | 1361 | 0 | None | - | 1 | Rat | 8.7 | pIC50 | None | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 11532074 | ||||
| Ligands | Receptor | Assay information | Chemical information | ||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sel. page | Common name |
GPCRdb ID | #Vendors | Reference ligand |
Fold selectivity (Affinity) |
# tested GPCRs (Affinity) |
Species | p-value (-log) |
Type | Activity Relation |
Activity Value |
Assay Type | Assay Description | Source | Mol weight |
Rot Bonds |
H don | H acc | LogP | Smiles | DOI |
| CHEMBL427644 | 211612 | 0 | None | - | 0 | Rat | 6.5 | pEC50 | = | 6.5 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm990559d | ||||
| 102331734 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 1136 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 16132283 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 16133817 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 2994 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 3785 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 44278361 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 77077981 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| CHEMBL266481 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| DB00040 | 1784 | 28 | None | - | 1 | Rat | 8.3 | pEC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| CHEMBL266411 | 208937 | 0 | None | - | 0 | Rat | 6.1 | pEC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@H](Cc2ccc(O)cc2)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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm990559d | ||||
| 129010858 | 150341 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 614 | 11 | 2 | 5 | 8.2 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(OC(F)(F)F)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| CHEMBL3957356 | 150341 | 0 | None | - | 0 | Human | 10.0 | pIC50 | = | 10 | Binding | ChEMBL | 614 | 11 | 2 | 5 | 8.2 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(OC(F)(F)F)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| 129010857 | 142881 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 594 | 11 | 2 | 5 | 7.9 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(OC(F)(F)F)cc1)c1csc2c(C#N)cc(C)cc12 | nan | ||
| CHEMBL3898076 | 142881 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 594 | 11 | 2 | 5 | 7.9 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(OC(F)(F)F)cc1)c1csc2c(C#N)cc(C)cc12 | nan | ||
| 129010859 | 145509 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 618 | 10 | 2 | 4 | 8.5 | N#Cc1cc(Cl)cc2c(C(c3ccc(Cl)cc3)[C@H](CCC(F)(F)F)c3ccc(C(=O)NCCC(=O)O)cc3)csc12 | nan | ||
| CHEMBL3918808 | 145509 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 618 | 10 | 2 | 4 | 8.5 | N#Cc1cc(Cl)cc2c(C(c3ccc(Cl)cc3)[C@H](CCC(F)(F)F)c3ccc(C(=O)NCCC(=O)O)cc3)csc12 | nan | ||
| CHEMBL428460 | 211698 | 0 | None | - | 0 | Rat | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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]1CCC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 91755011 | 122970 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 590 | 11 | 3 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(OC(F)(F)F)cc1)c1c[nH]c2c(F)cc(Cl)cc12 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617565 | 122970 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 590 | 11 | 3 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(OC(F)(F)F)cc1)c1c[nH]c2c(F)cc(Cl)cc12 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL412488 | 211249 | 0 | None | - | 0 | Rat | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)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)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 129010860 | 143619 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 578 | 11 | 2 | 4 | 8.4 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| CHEMBL3903921 | 143619 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 578 | 11 | 2 | 4 | 8.4 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| 9955419 | 45033 | 2 | None | - | 1 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 450 | 5 | 2 | 5 | 5.3 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C | 10.1021/jm0208572 | ||
| CHEMBL152640 | 45033 | 2 | None | - | 1 | Rat | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 450 | 5 | 2 | 5 | 5.3 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C | 10.1021/jm0208572 | ||
| 11950794 | 160684 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | 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 | 160684 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | 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 | ||
| 11950972 | 160685 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | 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 | 160685 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | 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 | ||
| 129010856 | 142961 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 598 | 10 | 2 | 4 | 8.7 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)c(Cl)c1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| CHEMBL3898694 | 142961 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 598 | 10 | 2 | 4 | 8.7 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)c(Cl)c1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| 122189714 | 122865 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | 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 | 122865 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | 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 | ||
| 129010861 | 152387 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 578 | 10 | 2 | 4 | 8.2 | CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| CHEMBL3974805 | 152387 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 578 | 10 | 2 | 4 | 8.2 | CC(C)C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| 11376210 | 183010 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | 183010 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | ||
| 11410779 | 187648 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | 187648 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | ||
| 11169089 | 187712 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | 187712 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | 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 | ||
| 122189577 | 122831 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | 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 | 122831 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | 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 | ||
| 10073574 | 45171 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL152765 | 45171 | 0 | None | - | 0 | Rat | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 11952035 | 86389 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | 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 | 86389 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | 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 | ||
| 129010853 | 148154 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 548 | 10 | 2 | 4 | 7.5 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(F)cc12 | nan | ||
| CHEMBL3939861 | 148154 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 548 | 10 | 2 | 4 | 7.5 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(F)cc12 | nan | ||
| 129010854 | 146424 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 544 | 10 | 2 | 4 | 7.7 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(C)cc12 | nan | ||
| CHEMBL3926079 | 146424 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 544 | 10 | 2 | 4 | 7.7 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(C)cc12 | nan | ||
| 11331120 | 68620 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | 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 | 68620 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | 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 | ||
| 102331734 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 1136 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 16132283 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 16133817 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 2994 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 3785 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 44278361 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 77077981 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| CHEMBL266481 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| DB00040 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm960800d | ||||
| 102331734 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 1136 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 16132283 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 16133817 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 2994 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 3785 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 44278361 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 77077981 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| CHEMBL266481 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| DB00040 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1016/0960-894X(95)00307-F | ||||
| 122189710 | 122861 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 675 | 13 | 2 | 6 | 9.1 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(SC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616689 | 122861 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 675 | 13 | 2 | 6 | 9.1 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(SC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189713 | 122864 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 677 | 13 | 2 | 6 | 8.5 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616692 | 122864 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 677 | 13 | 2 | 6 | 8.5 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 102331734 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 1136 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 16132283 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 16133817 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 2994 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 3785 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 44278361 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 77077981 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| CHEMBL266481 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| DB00040 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 102331734 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 1136 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 16132283 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 16133817 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 2994 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 3785 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 44278361 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| 77077981 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| CHEMBL266481 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| DB00040 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990559d | ||||
| CHEMBL429362 | 211777 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 102331734 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 1136 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 16132283 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 16133817 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 2994 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 3785 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 44278361 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 77077981 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| CHEMBL266481 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| DB00040 | 1784 | 28 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | None | 10.1021/jm000453e | ||||
| 122189715 | 122866 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 697 | 12 | 2 | 5 | 9.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616694 | 122866 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 697 | 12 | 2 | 5 | 9.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 129010855 | 151087 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 598 | 10 | 2 | 4 | 8.4 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(C(F)(F)F)cc12 | nan | ||
| CHEMBL3963664 | 151087 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 598 | 10 | 2 | 4 | 8.4 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(C(F)(F)F)cc12 | nan | ||
| 57401986 | 68568 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 632 | 9 | 2 | 8 | 6.3 | CCCCc1cc(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 | ||
| CHEMBL1922708 | 68568 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 632 | 9 | 2 | 8 | 6.3 | CCCCc1cc(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 | ||
| CHEMBL439885 | 212102 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](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)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 129010864 | 148577 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 519 | 10 | 2 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1sc2ccccc2c1C | nan | ||
| CHEMBL3943204 | 148577 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 519 | 10 | 2 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1sc2ccccc2c1C | nan | ||
| 11950075 | 86386 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | 86386 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | ||
| 60171059 | 80990 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | 80990 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | ||
| 122189708 | 122859 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | 122859 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | ||
| 44372948 | 51729 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158676 | 51729 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135819146 | 109837 | 7 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL323913 | 109837 | 7 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 10483282 | 185191 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | 185191 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | 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 | ||
| 54765285 | 68653 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | 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 | 68653 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | 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 | ||
| 57403109 | 68656 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 13 | 2 | 4 | 7.6 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922936 | 68656 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 596 | 13 | 2 | 4 | 7.6 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 58353126 | 109790 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 635 | 8 | 2 | 6 | 7.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238216 | 109790 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 635 | 8 | 2 | 6 | 7.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11329242 | 188494 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 486 | 6 | 3 | 6 | 5.2 | Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL509900 | 188494 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 486 | 6 | 3 | 6 | 5.2 | Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2008.05.072 | ||
| 122189569 | 122823 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616580 | 122823 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(OC)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189694 | 122845 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616673 | 122845 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)ccc2Cl)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 44431020 | 167078 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | 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 | 167078 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | 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 | ||
| CHEMBL3037804 | 209176 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](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](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@H](C)c1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 11027864 | 46392 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 533 | 10 | 2 | 6 | 4.3 | CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL153879 | 46392 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 533 | 10 | 2 | 6 | 4.3 | CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 11585375 | 80979 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | 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 | 80979 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | 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 | ||
| 44372720 | 48311 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155694 | 48311 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372477 | 53918 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 336 | 3 | 1 | 1 | 6.4 | Clc1ccc(-c2cc(C3CCCCC3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160735 | 53918 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 336 | 3 | 1 | 1 | 6.4 | Clc1ccc(-c2cc(C3CCCCC3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL2369990 | 208021 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=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](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 58352803 | 109793 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238219 | 109793 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 141465324 | 164560 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1cccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227372 | 164560 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1cccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| 10215420 | 98048 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 345 | 4 | 1 | 3 | 5.0 | COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL276063 | 98048 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 345 | 4 | 1 | 3 | 5.0 | COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44319617 | 106076 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 441 | 3 | 1 | 2 | 5.5 | Fc1ccc(-c2[nH]c(-c3ccc(I)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL314181 | 106076 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 441 | 3 | 1 | 2 | 5.5 | Fc1ccc(-c2[nH]c(-c3ccc(I)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 10592750 | 106669 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.1 | Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL316264 | 106669 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.1 | Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44319245 | 204236 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 390 | 3 | 2 | 2 | 5.9 | Oc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL84373 | 204236 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 390 | 3 | 2 | 2 | 5.9 | Oc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 60170854 | 80974 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 591 | 9 | 2 | 5 | 7.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159334 | 80974 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 591 | 9 | 2 | 5 | 7.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1021/jm300579z | ||
| 44372700 | 168045 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL436022 | 168045 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 135819143 | 9884 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 373 | 7 | 2 | 3 | 6.2 | CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114799 | 9884 | 6 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 373 | 7 | 2 | 3 | 6.2 | CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 135819146 | 109837 | 7 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL323913 | 109837 | 7 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL427744 | 211622 | 0 | None | - | 1 | Rat | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O | 10.1021/jm960800d | ||||
| 44372471 | 48297 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155686 | 48297 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 56602994 | 126558 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 593 | 11 | 2 | 4 | 7.2 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)=NC1(C)C | nan | ||
| CHEMBL3656296 | 126558 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 593 | 11 | 2 | 4 | 7.2 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)=NC1(C)C | nan | ||
| 16100338 | 141230 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 603 | 7 | 2 | 4 | 7.2 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)N3CCCC(C(=O)O)C3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL386030 | 141230 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 603 | 7 | 2 | 4 | 7.2 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)N3CCCC(C(=O)O)C3)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 22005339 | 31527 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 357 | 7 | 1 | 2 | 6.2 | CC(C)CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140586 | 31527 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 357 | 7 | 1 | 2 | 6.2 | CC(C)CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22004918 | 35044 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 315 | 5 | 1 | 2 | 5.2 | CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL143609 | 35044 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 315 | 5 | 1 | 2 | 5.2 | CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22004877 | 96029 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 353 | 8 | 1 | 2 | 6.5 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL26238 | 96029 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 353 | 8 | 1 | 2 | 6.5 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(C)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 10980170 | 4736 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 321 | 4 | 2 | 5 | 2.7 | COc1cc(C(=O)N/N=C/c2ccnc3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL104137 | 4736 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 321 | 4 | 2 | 5 | 2.7 | COc1cc(C(=O)N/N=C/c2ccnc3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 44319276 | 204389 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 6.6 | Fc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85741 | 204389 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 6.6 | Fc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL437471 | 211976 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||||
| 58352836 | 109739 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237885 | 109739 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(C(F)(F)F)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 11632336 | 113482 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 381 | 4 | 3 | 6 | 2.9 | Cc1cccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326180 | 113482 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4 | Binding | ChEMBL | 381 | 4 | 3 | 6 | 2.9 | Cc1cccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL441011 | 212130 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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]1CSSC[C@H](NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 16100297 | 136416 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 504 | 8 | 3 | 4 | 5.4 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(C#N)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL374293 | 136416 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 504 | 8 | 3 | 4 | 5.4 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(C#N)cc2)CC1 | 10.1021/jm058026u | ||
| 164626834 | 185893 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3015 | 98 | 46 | 43 | -12.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876838 | 185893 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3015 | 98 | 46 | 43 | -12.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11952211 | 87523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | 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 | 87523 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | 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 | ||
| 16100327 | 136685 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 479 | 8 | 3 | 3 | 5.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccccc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL374994 | 136685 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 479 | 8 | 3 | 3 | 5.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccccc2)CC1 | 10.1021/jm058026u | ||
| 11599295 | 183219 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | 183219 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | 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 | ||
| 11365464 | 68567 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 5.5 | CCc1cc(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 | ||
| CHEMBL1922707 | 68567 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 5.5 | CCc1cc(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 | ||
| 10951864 | 44537 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 560 | 6 | 2 | 5 | 5.6 | O=C(N/N=C/c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152184 | 44537 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 560 | 6 | 2 | 5 | 5.6 | O=C(N/N=C/c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 10974243 | 46908 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 635 | 7 | 3 | 6 | 5.6 | O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL154316 | 46908 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 635 | 7 | 3 | 6 | 5.6 | O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 10434112 | 51257 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 454 | 5 | 2 | 5 | 4.1 | CC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL158295 | 51257 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 454 | 5 | 2 | 5 | 4.1 | CC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 129010862 | 147902 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 633 | 10 | 2 | 3 | 8.8 | CCC[C@H](c1ccc(C(=O)NCC(F)(F)C(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| CHEMBL3937819 | 147902 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 633 | 10 | 2 | 3 | 8.8 | CCC[C@H](c1ccc(C(=O)NCC(F)(F)C(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| 44319474 | 106570 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315613 | 106570 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 10363819 | 106594 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 7 | 1 | 3 | 6.6 | CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315828 | 106594 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 403 | 7 | 1 | 3 | 6.6 | CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1 | 10.1016/s0960-894x(01)00498-x | ||
| 9906120 | 94842 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL25637 | 94842 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00736-9 | ||
| 44372478 | 51578 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158548 | 51578 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 45381381 | 109788 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 663 | 8 | 2 | 6 | 7.1 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238214 | 109788 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 663 | 8 | 2 | 6 | 7.1 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 71243036 | 109789 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 649 | 9 | 2 | 6 | 7.3 | CC1(CC[C@H](c2ccc(C(=O)NCc3nn[nH]n3)cc2)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)CC1 | 10.1021/jm401858f | ||
| CHEMBL3238215 | 109789 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 649 | 9 | 2 | 6 | 7.3 | CC1(CC[C@H](c2ccc(C(=O)NCc3nn[nH]n3)cc2)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)CC1 | 10.1021/jm401858f | ||
| 16225177 | 68642 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 584 | 11 | 2 | 4 | 7.6 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922923 | 68642 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 584 | 11 | 2 | 4 | 7.6 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(Cl)cc(Cl)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 145969298 | 164549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227229 | 164549 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 11387112 | 68571 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 538 | 6 | 2 | 7 | 4.7 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922711 | 68571 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 538 | 6 | 2 | 7 | 4.7 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 122189697 | 122848 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccncc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616676 | 122848 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccncc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 44373547 | 52154 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 466 | 9 | 2 | 6 | 5.0 | COc1cc(/C=N/NC(=O)c2ccc(O)c(F)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL159071 | 52154 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 466 | 9 | 2 | 6 | 5.0 | COc1cc(/C=N/NC(=O)c2ccc(O)c(F)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 9906120 | 94842 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL25637 | 94842 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 9906120 | 94842 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25637 | 94842 | 1 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 44318988 | 204288 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.8 | Fc1ccc(-c2[nH]c(-c3ccc(Br)s3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL84917 | 204288 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.8 | Fc1ccc(-c2[nH]c(-c3ccc(Br)s3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 19072340 | 48299 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 376 | 4 | 1 | 2 | 5.3 | C[S+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155687 | 48299 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 376 | 4 | 1 | 2 | 5.3 | C[S+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135819149 | 10352 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL116413 | 10352 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 44319258 | 204271 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.9 | Cc1cnccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL84759 | 204271 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.9 | Cc1cnccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 71203427 | 109775 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237919 | 109775 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353778 | 109758 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237903 | 109758 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10416258 | 56637 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 607 | 11 | 2 | 6 | 6.7 | O=C(O)CCCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644190 | 56637 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 607 | 11 | 2 | 6 | 6.7 | O=C(O)CCCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 53321835 | 56648 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 589 | 8 | 2 | 8 | 5.8 | O=C(Nc1nn[nH]n1)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644201 | 56648 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 589 | 8 | 2 | 8 | 5.8 | O=C(Nc1nn[nH]n1)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| 53319214 | 56650 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 607 | 11 | 2 | 6 | 6.7 | O=C(O)CCCNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644203 | 56650 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 607 | 11 | 2 | 6 | 6.7 | O=C(O)CCCNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| 56602866 | 126544 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 597 | 10 | 2 | 6 | 6.4 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[nH]2)cc1 | nan | ||
| CHEMBL3656282 | 126544 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 597 | 10 | 2 | 6 | 6.4 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[nH]2)cc1 | nan | ||
| 22005341 | 99512 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 375 | 8 | 1 | 2 | 6.5 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)c(F)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL286555 | 99512 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 375 | 8 | 1 | 2 | 6.5 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)c(F)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| 20647512 | 93647 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 375 | 8 | 1 | 2 | 6.5 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1F | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL24905 | 93647 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 375 | 8 | 1 | 2 | 6.5 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1F | 10.1016/s0960-894x(02)00143-9 | ||
| 127047121 | 139434 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 519 | 7 | 2 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799820 | 139434 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 519 | 7 | 2 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL412352 | 211238 | 0 | None | - | 1 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 164620673 | 185436 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2982 | 97 | 45 | 41 | -11.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(C)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4870505 | 185436 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2982 | 97 | 45 | 41 | -11.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(C)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 44372720 | 48311 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL155694 | 48311 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 44418929 | 82184 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)c2csc3ccc(Cl)cc23)C(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm058026u | ||
| CHEMBL217901 | 82184 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)c2csc3ccc(Cl)cc23)C(c2ccccc2)c2ccccc2)cc1 | 10.1021/jm058026u | ||
| 9841863 | 59743 | 22 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL17370 | 59743 | 22 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 22496412 | 172135 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 172135 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 44389598 | 64541 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL182148 | 64541 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 42617999 | 187791 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 187791 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 22496557 | 192658 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 192658 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 135819133 | 113915 | 3 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL333147 | 113915 | 3 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 10257357 | 141306 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 141306 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 16225179 | 68645 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 618 | 11 | 2 | 4 | 8.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922926 | 68645 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 618 | 11 | 2 | 4 | 8.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 57401359 | 68660 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 592 | 13 | 2 | 4 | 7.8 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922940 | 68660 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 592 | 13 | 2 | 4 | 7.8 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11284556 | 68573 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 572 | 7 | 2 | 9 | 4.6 | COc1cc(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 | ||
| CHEMBL1922713 | 68573 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 572 | 7 | 2 | 9 | 4.6 | COc1cc(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 | ||
| 122189578 | 122832 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 699 | 12 | 2 | 6 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616589 | 122832 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 699 | 12 | 2 | 6 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC(F)(F)F)cc3)nc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11082135 | 119106 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 544 | 6 | 2 | 5 | 5.0 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL346464 | 119106 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 544 | 6 | 2 | 5 | 5.0 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 164617806 | 184099 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 2984 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4849980 | 184099 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 2984 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 164625627 | 185203 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 3389 | 111 | 53 | 50 | -17.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4866685 | 185203 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 3389 | 111 | 53 | 50 | -17.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 71456151 | 78030 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 6.4 | O=C(N/N=C/c1cccc2c(OCc3ccc(OC(F)(F)F)cc3)cccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL2111565 | 78030 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 6.4 | O=C(N/N=C/c1cccc2c(OCc3ccc(OC(F)(F)F)cc3)cccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44319713 | 106684 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 447 | 9 | 1 | 4 | 7.0 | CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL316361 | 106684 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 447 | 9 | 1 | 4 | 7.0 | CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| 16224190 | 68643 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 544 | 11 | 2 | 4 | 6.9 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922924 | 68643 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 544 | 11 | 2 | 4 | 6.9 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cc(C)cc(C)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 58353839 | 109812 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 655 | 9 | 2 | 4 | 8.7 | C[C@H](CC(=O)O)NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238238 | 109812 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 655 | 9 | 2 | 4 | 8.7 | C[C@H](CC(=O)O)NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1 | 10.1021/jm401858f | ||
| 10324097 | 56567 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | 56567 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | ||
| 10461010 | 56633 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 8 | 2 | 7 | 5.9 | O=C(NCc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644186 | 56633 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 587 | 8 | 2 | 7 | 5.9 | O=C(NCc1nn[nH]n1)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11786041 | 189048 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 540 | 7 | 2 | 7 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2nc3ccccc3n2C2CCCC2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL515045 | 189048 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 540 | 7 | 2 | 7 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2nc3ccccc3n2C2CCCC2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| 11145271 | 164212 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 479 | 8 | 2 | 6 | 4.3 | COc1cc(OCCN2CCc3ccccc3C2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL421795 | 164212 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 479 | 8 | 2 | 6 | 4.3 | COc1cc(OCCN2CCc3ccccc3C2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL328942 | 209570 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC | 10.1021/jm960130b | ||||
| 44361298 | 120977 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 385 | 9 | 1 | 2 | 7.3 | CCCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL358250 | 120977 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 385 | 9 | 1 | 2 | 7.3 | CCCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 11024350 | 204690 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 5.1 | Fc1ccc(-c2[nH]c(CCc3ccccc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL87858 | 204690 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 343 | 5 | 1 | 2 | 5.1 | Fc1ccc(-c2[nH]c(CCc3ccccc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 135542439 | 5398 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 3 | 3 | 4 | 3.0 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1 | 10.1021/jm000547o | ||
| CHEMBL107526 | 5398 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 3 | 3 | 4 | 3.0 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1 | 10.1021/jm000547o | ||
| 44372948 | 51729 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158676 | 51729 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353013 | 109750 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237895 | 109750 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11756248 | 56620 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | 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 | 56620 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | 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 | ||
| 10415955 | 56641 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 587 | 10 | 2 | 7 | 4.8 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644194 | 56641 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 587 | 10 | 2 | 7 | 4.8 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 22999282 | 53527 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 397 | 6 | 3 | 5 | 2.8 | NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL160419 | 53527 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 397 | 6 | 3 | 5 | 2.8 | NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL268534 | 209011 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H]1CC(=O)NCCCC[C@H](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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(C)C)C(=O)N1)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm990559d | ||||
| 11760806 | 5027 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 4.4 | COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1O | 10.1021/jm000547o | ||
| CHEMBL105565 | 5027 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 4.4 | COc1cc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1O | 10.1021/jm000547o | ||
| 16100312 | 136686 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 565 | 9 | 3 | 6 | 4.5 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC3(CC2)OCCO3)cc1 | 10.1021/jm058026u | ||
| CHEMBL375000 | 136686 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 565 | 9 | 3 | 6 | 4.5 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC3(CC2)OCCO3)cc1 | 10.1021/jm058026u | ||
| 11650288 | 80973 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cccc(OC(F)(F)F)c3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159333 | 80973 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3cccc(OC(F)(F)F)c3c2)cc1 | 10.1021/jm300579z | ||
| 16100311 | 135896 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 549 | 11 | 3 | 4 | 6.2 | CCCC1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL373542 | 135896 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 549 | 11 | 3 | 4 | 6.2 | CCCC1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 10257357 | 141306 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | 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/jm058026u | ||
| CHEMBL386446 | 141306 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | 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/jm058026u | ||
| 73355439 | 92152 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 360 | 4 | 0 | 3 | 5.7 | CSc1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL2435137 | 92152 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 360 | 4 | 0 | 3 | 5.7 | CSc1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL437095 | 211958 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 127047256 | 139241 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 595 | 8 | 2 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798581 | 139241 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 595 | 8 | 2 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(-c2ccccc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL429198 | 211764 | 0 | None | - | 1 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 10413333 | 62690 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 8 | 1 | 4 | 7.1 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(Cc1ccc(Cl)cc1Cl)C(C)C)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL178768 | 62690 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 491 | 8 | 1 | 4 | 7.1 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(Cc1ccc(Cl)cc1Cl)C(C)C)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 10282162 | 171855 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 171855 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 44319713 | 106684 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 9 | 1 | 4 | 7.0 | CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL316361 | 106684 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 447 | 9 | 1 | 4 | 7.0 | CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| 44319495 | 204393 | 3 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85807 | 204393 | 3 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58353323 | 109795 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238221 | 109795 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353338 | 109796 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238222 | 109796 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 71243097 | 109797 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238223 | 109797 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11456034 | 168892 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 7.1 | Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)nc2c1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL442855 | 168892 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 584 | 8 | 3 | 7 | 7.1 | Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)nc2c1 | 10.1016/j.bmcl.2008.05.072 | ||
| 57391519 | 68562 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 576 | 6 | 2 | 8 | 4.9 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922702 | 68562 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 576 | 6 | 2 | 8 | 4.9 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(C(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 164620899 | 185111 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 3403 | 112 | 53 | 50 | -17.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4865371 | 185111 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 3403 | 112 | 53 | 50 | -17.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL442135 | 212160 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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]1CCC(=O)NCCCC[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)Cc2c[nH]cn2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| CHEMBL409654 | 211029 | 0 | None | - | 0 | Rat | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 10864173 | 49561 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 4.9 | O=C(N/N=C/c1ccc(OCC(=O)N2CCc3ccccc3C2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL156772 | 49561 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 4.9 | O=C(N/N=C/c1ccc(OCC(=O)N2CCc3ccccc3C2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 164624163 | 185233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 2970 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4867132 | 185233 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 2970 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 44372870 | 53361 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160287 | 53361 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44318950 | 106523 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315311 | 106523 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 9843239 | 106590 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 6.8 | CC(C)(C)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315800 | 106590 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 6.8 | CC(C)(C)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58353046 | 109792 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 8 | 2 | 6 | 6.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238218 | 109792 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 617 | 8 | 2 | 6 | 6.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53469443 | 109818 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | 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 | 109818 | 0 | None | - | 1 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | 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 | ||
| 58353156 | 109761 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237906 | 109761 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 51031037 | 109773 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 581 | 6 | 2 | 6 | 5.8 | C[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237917 | 109773 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 581 | 6 | 2 | 6 | 5.8 | C[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10077369 | 56635 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | 56635 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | 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 | ||
| 9871912 | 192024 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 192024 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 44431016 | 143712 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 574 | 8 | 2 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL390469 | 143712 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 574 | 8 | 2 | 4 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(C(=O)c2ccc(OC(F)(F)F)cc2)C2CCc3cc(C(=O)NCCC(=O)O)ccc32)CC1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11102467 | 46849 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 453 | 8 | 2 | 5 | 4.2 | CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL154269 | 46849 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 453 | 8 | 2 | 5 | 4.2 | CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL429724 | 211796 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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]1CCCCNC(=O)C[C@H](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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N1)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm990559d | ||||
| 9836535 | 161590 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 3 | 1 | 2 | 4.9 | Fc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL416169 | 161590 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 315 | 3 | 1 | 2 | 4.9 | Fc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44372671 | 119612 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 388 | 5 | 1 | 3 | 5.8 | O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351104 | 119612 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 388 | 5 | 1 | 3 | 5.8 | O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10246001 | 162954 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 329 | 3 | 1 | 2 | 5.3 | Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL420232 | 162954 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 329 | 3 | 1 | 2 | 5.3 | Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58353544 | 109754 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.4 | CC(Cc1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237899 | 109754 | 0 | None | - | 0 | Mouse | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.4 | CC(Cc1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 56602934 | 126559 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 8 | 2 | 4 | 5.0 | CC(C)[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| CHEMBL3656297 | 126559 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 503 | 8 | 2 | 4 | 5.0 | CC(C)[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| 44373635 | 53217 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 5.5 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL160138 | 53217 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 452 | 8 | 2 | 5 | 5.5 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 10215420 | 98048 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 345 | 4 | 1 | 3 | 5.0 | COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL276063 | 98048 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 345 | 4 | 1 | 3 | 5.0 | COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 22496546 | 187868 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | 187868 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | 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 | ||
| 44278220 | 168505 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2693 | 89 | 37 | 35 | -7.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)CCCCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 91931634 | 168505 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2693 | 89 | 37 | 35 | -7.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)CCCCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| CHEMBL439690 | 168505 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 2693 | 89 | 37 | 35 | -7.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)CCCCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 10962393 | 50081 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 10 | 3 | 6 | 5.0 | COc1cc(OCCNCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL157226 | 50081 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 521 | 10 | 3 | 6 | 5.0 | COc1cc(OCCNCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 164626335 | 185783 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3141 | 102 | 49 | 45 | -14.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4875380 | 185783 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 3141 | 102 | 49 | 45 | -14.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 44372846 | 53307 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 342 | 4 | 1 | 1 | 6.1 | CCc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160238 | 53307 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 342 | 4 | 1 | 1 | 6.1 | CCc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 16100313 | 82840 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 591 | 13 | 3 | 4 | 7.4 | CCCC1(CCC)CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL218740 | 82840 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 591 | 13 | 3 | 4 | 7.4 | CCCC1(CCC)CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 44389598 | 64541 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL182148 | 64541 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 435 | 6 | 1 | 4 | 5.9 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)C1CCCc3ccccc31)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 10231964 | 185174 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 185174 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 10145603 | 188482 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 188482 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 10280734 | 191884 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | 191884 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | 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 | ||
| 58353046 | 109792 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 617 | 8 | 2 | 6 | 6.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238218 | 109792 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 617 | 8 | 2 | 6 | 6.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44561584 | 186144 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 8 | 3 | 6 | 4.4 | Cn1c(N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL488682 | 186144 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 506 | 8 | 3 | 6 | 4.4 | Cn1c(N(Cc2ccc(C(=O)NC[C@@H](O)C(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 57401963 | 68558 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 604 | 8 | 2 | 8 | 6.1 | CCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922698 | 68558 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 604 | 8 | 2 | 8 | 6.1 | CCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 57393252 | 68629 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 632 | 8 | 2 | 8 | 6.2 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922843 | 68629 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 632 | 8 | 2 | 8 | 6.2 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL413890 | 211349 | 21 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](CCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||||
| 10907780 | 119129 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 553 | 9 | 3 | 7 | 5.4 | COc1cc(NC(=O)CSc2ccc(OC(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL346694 | 119129 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 553 | 9 | 3 | 7 | 5.4 | COc1cc(NC(=O)CSc2ccc(OC(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 10951675 | 46470 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 6.4 | O=C(N/N=C/c1ccc(OCCNCc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL153950 | 46470 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 541 | 9 | 3 | 5 | 6.4 | O=C(N/N=C/c1ccc(OCCNCc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 60171060 | 80991 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | 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 | 80991 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | 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 | ||
| 44373083 | 52091 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158989 | 52091 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372701 | 52257 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL159198 | 52257 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372397 | 53465 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 254 | 2 | 1 | 1 | 4.4 | Clc1ccc(-c2ccc(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160372 | 53465 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 254 | 2 | 1 | 1 | 4.4 | Clc1ccc(-c2ccc(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372688 | 49163 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL156458 | 49163 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44318935 | 204312 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85102 | 204312 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58353067 | 109791 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238217 | 109791 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 71243097 | 109797 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238223 | 109797 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44373783 | 119680 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 438 | 6 | 2 | 5 | 4.9 | O=C(N/N=C/c1ccc(OCC2CCCCO2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL351724 | 119680 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 438 | 6 | 2 | 5 | 4.9 | O=C(N/N=C/c1ccc(OCC2CCCCO2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| 16100302 | 135894 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 549 | 11 | 3 | 4 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OCC3CC3)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL373541 | 135894 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 549 | 11 | 3 | 4 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OCC3CC3)cc2)CC1 | 10.1021/jm058026u | ||
| 44318950 | 106523 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL315311 | 106523 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 457 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 19072347 | 52231 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 329 | 3 | 2 | 2 | 5.1 | Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL159163 | 52231 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 329 | 3 | 2 | 2 | 5.1 | Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10030697 | 178496 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | 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 | 178496 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | 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 | ||
| 10318451 | 204356 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85534 | 204356 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 68864367 | 113474 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 416 | 4 | 3 | 4 | 4.5 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(F)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326171 | 113474 | 0 | None | - | 0 | Rat | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 416 | 4 | 3 | 4 | 4.5 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(F)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 22005335 | 93995 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 339 | 8 | 1 | 2 | 6.2 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL25115 | 93995 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 339 | 8 | 1 | 2 | 6.2 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22005335 | 93995 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 339 | 8 | 1 | 2 | 6.2 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25115 | 93995 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 339 | 8 | 1 | 2 | 6.2 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 12967031 | 111084 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL328126 | 111084 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 44418928 | 82943 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 13 | 3 | 4 | 5.8 | CCCCC(CC)N(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 | 10.1021/jm058026u | ||
| CHEMBL219308 | 82943 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 13 | 3 | 4 | 5.8 | CCCCC(CC)N(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 | 10.1021/jm058026u | ||
| 44372676 | 119131 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL346698 | 119131 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| 3505 | 2182 | 39 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1007/s00044-013-0801-3 | ||
| 5311276 | 2182 | 39 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1007/s00044-013-0801-3 | ||
| CHEMBL351772 | 2182 | 39 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1007/s00044-013-0801-3 | ||
| 127047122 | 139384 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 533 | 7 | 2 | 4 | 6.6 | Cc1ccccc1-c1cc(-c2cc(Cl)cc(Cl)c2)nn1C1CCc2cc(C(=O)NCCC(=O)O)ccc21 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799499 | 139384 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 533 | 7 | 2 | 4 | 6.6 | Cc1ccccc1-c1cc(-c2cc(Cl)cc(Cl)c2)nn1C1CCc2cc(C(=O)NCCC(=O)O)ccc21 | 10.1016/j.bmc.2016.04.053 | ||
| 127047255 | 139492 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 525 | 7 | 2 | 5 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccs1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3800146 | 139492 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 525 | 7 | 2 | 5 | 6.3 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccs1 | 10.1016/j.bmc.2016.04.053 | ||
| 164618212 | 184807 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3029 | 99 | 46 | 43 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4860642 | 184807 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 3029 | 99 | 46 | 43 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CSCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11950794 | 160684 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | 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 | 160684 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | 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 | ||
| 71202713 | 109811 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238237 | 109811 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL267876 | 208990 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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=C(N)N)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](Cc1c[nH]cn1)Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| 45381380 | 109783 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 6.8 | CC(C)C[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 | ||
| CHEMBL3237927 | 109783 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 6.8 | CC(C)C[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 | ||
| 71202743 | 109798 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| CHEMBL3238224 | 109798 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| 44561327 | 189860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 7 | 5.3 | Cc1ccc2c(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 | ||
| CHEMBL517861 | 189860 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 7 | 5.3 | Cc1ccc2c(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 | ||
| 122189705 | 122856 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 598 | 9 | 2 | 6 | 7.0 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(C#N)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616684 | 122856 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 598 | 9 | 2 | 6 | 7.0 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(C#N)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 60170968 | 80986 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 511 | 8 | 2 | 5 | 5.5 | COc1ccc2cc(-c3cc(C(F)(F)F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159345 | 80986 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 511 | 8 | 2 | 5 | 5.5 | COc1ccc2cc(-c3cc(C(F)(F)F)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 164616848 | 184366 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4853767 | 184366 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 60170768 | 80969 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 573 | 9 | 2 | 5 | 6.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159329 | 80969 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 573 | 9 | 2 | 5 | 6.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 11733947 | 161216 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 6 | 4.6 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 | 10.1021/jm0208572 | ||
| CHEMBL413964 | 161216 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 510 | 8 | 3 | 6 | 4.6 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 | 10.1021/jm0208572 | ||
| 44318934 | 204278 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 6.8 | CCCCc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL84840 | 204278 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 6.8 | CCCCc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 44319495 | 204393 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85807 | 204393 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 12967034 | 119519 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL350255 | 119519 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44373192 | 119231 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL347663 | 119231 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353369 | 109762 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.5 | Cc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| CHEMBL3237907 | 109762 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.5 | Cc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| 44373781 | 54656 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 476 | 8 | 2 | 6 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(F)c(F)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL161431 | 54656 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 476 | 8 | 2 | 6 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(F)c(F)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| 44361158 | 120425 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 371 | 8 | 1 | 2 | 6.9 | CCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL356089 | 120425 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 371 | 8 | 1 | 2 | 6.9 | CCCCCc1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 10093802 | 106431 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL314701 | 106431 | 3 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 10318451 | 204356 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL85534 | 204356 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3cccc(Br)c3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 9998923 | 106423 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Fc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL314652 | 106423 | 2 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Fc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58352935 | 109752 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237897 | 109752 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 58353679 | 109769 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237913 | 109769 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 70900317 | 109776 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237920 | 109776 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44373553 | 53803 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 5.5 | CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cc2)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL160652 | 53803 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 422 | 7 | 2 | 4 | 5.5 | CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cc2)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL2372773 | 208541 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H]1CCCCNC(=O)C[C@H](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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@H](CCCN=C(N)N)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm990559d | ||||
| 22496358 | 186736 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 186736 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
| 16100304 | 82932 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 641 | 9 | 3 | 4 | 7.2 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CC1 | 10.1021/jm058026u | ||
| CHEMBL219252 | 82932 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 641 | 9 | 3 | 4 | 7.2 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2Br)CC1 | 10.1021/jm058026u | ||
| 10435275 | 123346 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 8 | 1 | 4 | 6.7 | CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL362657 | 123346 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 479 | 8 | 1 | 4 | 6.7 | CCC(CC)C(=O)Nc1sc(C(=O)N(Cc2ccc(Cl)cc2Cl)C(C)C)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 135819157 | 9876 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114762 | 9876 | 3 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 16100300 | 136715 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 136715 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 16225178 | 68634 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 586 | 12 | 2 | 4 | 7.7 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922915 | 68634 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 586 | 12 | 2 | 4 | 7.7 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1Cc1ccc(C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 57397957 | 68652 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 598 | 12 | 2 | 4 | 7.7 | CCCC[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 | ||
| CHEMBL1922932 | 68652 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 598 | 12 | 2 | 4 | 7.7 | CCCC[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 | ||
| 57392671 | 68659 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 646 | 13 | 2 | 4 | 8.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922939 | 68659 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 646 | 13 | 2 | 4 | 8.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(C(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 53469628 | 109808 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 641 | 9 | 2 | 4 | 8.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238234 | 109808 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 641 | 9 | 2 | 4 | 8.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11260553 | 175646 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 7 | 2 | 7 | 5.4 | CCn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459458 | 175646 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 7 | 2 | 7 | 5.4 | CCn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11261540 | 188247 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2nc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL506520 | 188247 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 562 | 8 | 2 | 7 | 6.5 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2nc3ccccc3n2Cc2ccccc2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| 60170855 | 80975 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | 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 | 80975 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | 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 | ||
| 11048232 | 50135 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 428 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL157280 | 50135 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 428 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 11585452 | 80978 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | 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 | 80978 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | 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 | ||
| 58353126 | 109790 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 635 | 8 | 2 | 6 | 7.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238216 | 109790 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 635 | 8 | 2 | 6 | 7.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 70900317 | 109776 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237920 | 109776 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 68862614 | 113477 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 4 | 3 | 4 | 5.4 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326174 | 113477 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 4 | 3 | 4 | 5.4 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 44561557 | 178321 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 500 | 7 | 2 | 7 | 4.6 | Cn1c(N(Cc2ccc(C(=O)NCc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL469904 | 178321 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 500 | 7 | 2 | 7 | 4.6 | Cn1c(N(Cc2ccc(C(=O)NCc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11433550 | 68560 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 620 | 9 | 2 | 9 | 5.3 | COCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922700 | 68560 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 620 | 9 | 2 | 9 | 5.3 | COCCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 44373923 | 54666 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 478 | 6 | 2 | 7 | 5.2 | CC(C)(C)c1nc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)no1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL161505 | 54666 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 478 | 6 | 2 | 7 | 5.2 | CC(C)(C)c1nc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)no1 | 10.1016/s0960-894x(01)00819-8 | ||
| 9952509 | 204653 | 11 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL87588 | 204653 | 11 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44372577 | 53390 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 238 | 2 | 1 | 1 | 3.9 | Fc1ccc(-c2cc[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160314 | 53390 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 238 | 2 | 1 | 1 | 3.9 | Fc1ccc(-c2cc[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 9929037 | 53601 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160490 | 53601 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 10257629 | 186692 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | 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 | 186692 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 44372720 | 48311 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155694 | 48311 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10255803 | 56623 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.2 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644176 | 56623 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.2 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 164629129 | 185895 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2997 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876913 | 185895 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 2997 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 71452715 | 78471 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 6 | 2 | 6 | 3.5 | CC(C)S(=O)(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL2112904 | 78471 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 435 | 6 | 2 | 6 | 3.5 | CC(C)S(=O)(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 9914410 | 185875 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | 185875 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | 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 | ||
| 16100314 | 83043 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 544 | 10 | 3 | 5 | 6.1 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm058026u | ||
| CHEMBL219968 | 83043 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 544 | 10 | 3 | 5 | 6.1 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm058026u | ||
| 44372847 | 53363 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 328 | 3 | 1 | 1 | 5.9 | Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160289 | 53363 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 328 | 3 | 1 | 1 | 5.9 | Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 12967035 | 51560 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158535 | 51560 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 57397956 | 68640 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCC[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 | ||
| CHEMBL1922921 | 68640 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCC[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 | ||
| 57396140 | 68654 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 612 | 12 | 2 | 4 | 8.0 | CC(C)CC[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 | ||
| CHEMBL1922934 | 68654 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 612 | 12 | 2 | 4 | 8.0 | CC(C)CC[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 | ||
| 71243036 | 109789 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 649 | 9 | 2 | 6 | 7.3 | CC1(CC[C@H](c2ccc(C(=O)NCc3nn[nH]n3)cc2)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)CC1 | 10.1021/jm401858f | ||
| CHEMBL3238215 | 109789 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 649 | 9 | 2 | 6 | 7.3 | CC1(CC[C@H](c2ccc(C(=O)NCc3nn[nH]n3)cc2)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)CC1 | 10.1021/jm401858f | ||
| 3505 | 2182 | 39 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 5311276 | 2182 | 39 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351772 | 2182 | 39 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 44372471 | 48297 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155686 | 48297 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353338 | 109796 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238222 | 109796 | 0 | None | - | 0 | Mouse | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)c(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58352935 | 109752 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237897 | 109752 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2CCc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 58353695 | 109770 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237914 | 109770 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11785044 | 189074 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL515202 | 189074 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL328942 | 209570 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC | 10.1021/jm960130b | ||||
| 10053886 | 191168 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | 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 | 191168 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 12967034 | 119519 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL350255 | 119519 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58352925 | 109757 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C3CC3)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237902 | 109757 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C3CC3)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353369 | 109762 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.5 | Cc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| CHEMBL3237907 | 109762 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 517 | 7 | 2 | 4 | 5.5 | Cc1cccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)C2=O)c1 | 10.1021/jm401858f | ||
| 10436554 | 56570 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 9 | 2 | 5 | 5.7 | O=C(O)CCNC(=O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)n(C3CCCCC3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643958 | 56570 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 515 | 9 | 2 | 5 | 5.7 | O=C(O)CCNC(=O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)n(C3CCCCC3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 122189571 | 122825 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(OC)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616582 | 122825 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(OC)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| 56602932 | 126551 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 543 | 9 | 2 | 4 | 5.4 | CC1(C2CCCCC2)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656289 | 126551 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 543 | 9 | 2 | 4 | 5.4 | CC1(C2CCCCC2)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| 56602931 | 126552 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 475 | 8 | 2 | 4 | 3.8 | CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656290 | 126552 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 475 | 8 | 2 | 4 | 3.8 | CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| 56602995 | 126557 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 501 | 8 | 2 | 4 | 4.7 | CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)C1CC1 | nan | ||
| CHEMBL3656295 | 126557 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 501 | 8 | 2 | 4 | 4.7 | CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@@H](c1ccc(C(=O)NCCC(=O)O)cc1)C1CC1 | nan | ||
| 16100319 | 82926 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 549 | 8 | 3 | 4 | 6.0 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL219191 | 82926 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 549 | 8 | 3 | 4 | 6.0 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 11559533 | 139644 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 359 | 7 | 0 | 3 | 4.9 | O=C(c1ccc(OCCCN2CCCC2)cc1)c1cccc2ccccc12 | 10.1016/j.bmcl.2006.02.013 | ||
| CHEMBL380387 | 139644 | 0 | None | - | 0 | Human | 4.8 | pIC50 | = | 4.8 | Binding | ChEMBL | 359 | 7 | 0 | 3 | 4.9 | O=C(c1ccc(OCCCN2CCCC2)cc1)c1cccc2ccccc12 | 10.1016/j.bmcl.2006.02.013 | ||
| 16100336 | 82978 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 513 | 11 | 3 | 3 | 5.4 | CCCCc1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C2Cc3ccccc3C2)cc1 | 10.1021/jm058026u | ||
| CHEMBL219446 | 82978 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 513 | 11 | 3 | 3 | 5.4 | CCCCc1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C2Cc3ccccc3C2)cc1 | 10.1021/jm058026u | ||
| 135819146 | 109837 | 7 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL323913 | 109837 | 7 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 10144633 | 171861 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | 171861 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | 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 | ||
| 11157621 | 68557 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 590 | 7 | 2 | 8 | 5.7 | CCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922697 | 68557 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 590 | 7 | 2 | 8 | 5.7 | CCn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 11238073 | 68563 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922703 | 68563 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL439289 | 212086 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | None | None | None | CN[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(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(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O | 10.1016/j.bmcl.2005.01.003 | ||||
| 44372948 | 51729 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158676 | 51729 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 145969968 | 164527 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 615 | 10 | 2 | 5 | 8.2 | CCOc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4226972 | 164527 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 615 | 10 | 2 | 5 | 8.2 | CCOc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 44373676 | 52177 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 524 | 9 | 2 | 7 | 5.3 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL159093 | 52177 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 524 | 9 | 2 | 7 | 5.3 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(OC(F)(F)F)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL328942 | 209570 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)CC | 10.1021/jm960130b | ||||
| 44372406 | 119311 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 3 | 1 | 1 | 5.9 | Fc1ccc(-c2cc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL348401 | 119311 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 3 | 1 | 1 | 5.9 | Fc1ccc(-c2cc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 6862006 | 171754 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 290 | 3 | 2 | 3 | 3.3 | O=C(N/N=C/c1cccc2ccccc12)c1ccc(O)cc1 | 10.1021/jm000547o | ||
| CHEMBL447535 | 171754 | 12 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 290 | 3 | 2 | 3 | 3.3 | O=C(N/N=C/c1cccc2ccccc12)c1ccc(O)cc1 | 10.1021/jm000547o | ||
| 22496449 | 173865 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | 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 | 173865 | 0 | None | - | 0 | Rat | 5.8 | pIC50 | = | 5.8 | 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 | ||
| 22005118 | 31586 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 11 | 1 | 2 | 7.5 | CCCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140636 | 31586 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 399 | 11 | 1 | 2 | 7.5 | CCCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22005111 | 118928 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 297 | 5 | 1 | 2 | 5.1 | CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL344911 | 118928 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 297 | 5 | 1 | 2 | 5.1 | CCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 44369318 | 44828 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 6 | 2 | 5 | 4.4 | CC(C)CS(=O)(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL152461 | 44828 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 444 | 6 | 2 | 5 | 4.4 | CC(C)CS(=O)(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 1148 | 1893 | 28 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 10.1016/j.bmcl.2005.01.003 | ||
| 619101 | 1893 | 28 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL179281 | 1893 | 28 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 346 | 6 | 1 | 3 | 5.5 | CCC(C(=O)Nc1sc2c(c1C#N)CCC(C2)C(CC)(C)C)CC | 10.1016/j.bmcl.2005.01.003 | ||
| 127046644 | 139048 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 563 | 8 | 2 | 5 | 6.7 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(c2)CCO3)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3797325 | 139048 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 563 | 8 | 2 | 5 | 6.7 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3c(c2)CCO3)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 16100305 | 82915 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 617 | 11 | 3 | 4 | 7.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OCC3CC3)cc2C(F)(F)F)CC1 | 10.1021/jm058026u | ||
| CHEMBL219138 | 82915 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 617 | 11 | 3 | 4 | 7.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OCC3CC3)cc2C(F)(F)F)CC1 | 10.1021/jm058026u | ||
| 164613898 | 184139 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 2969 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4850520 | 184139 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 2969 | 96 | 46 | 42 | -13.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL442499 | 212166 | 0 | None | - | 1 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 57403704 | 68631 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 576 | 7 | 2 | 8 | 5.9 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(OC(F)(F)F)cc2)nc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922845 | 68631 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 576 | 7 | 2 | 8 | 5.9 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(OC(F)(F)F)cc2)nc2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 11812426 | 78473 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 5 | 2 | 7 | 3.7 | CN(C)c1ccc(C(=O)n2cc(/C=N/NC(=O)c3ccc(O)c(C#N)c3)c3ccccc32)cc1 | 10.1021/jm0208572 | ||
| CHEMBL2112907 | 78473 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 5 | 2 | 7 | 3.7 | CN(C)c1ccc(C(=O)n2cc(/C=N/NC(=O)c3ccc(O)c(C#N)c3)c3ccccc32)cc1 | 10.1021/jm0208572 | ||
| 10995358 | 44780 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 565 | 10 | 3 | 5 | 5.9 | O=C(N/N=C/c1ccc(OCCNCCc2ccc(Br)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152409 | 44780 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 565 | 10 | 3 | 5 | 5.9 | O=C(N/N=C/c1ccc(OCCNCCc2ccc(Br)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 135819137 | 92419 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 8 | 2 | 3 | 6.1 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL24388 | 92419 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 8 | 2 | 3 | 6.1 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 9929037 | 53601 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160490 | 53601 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135819149 | 10352 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL116413 | 10352 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 10338890 | 204303 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85009 | 204303 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58353838 | 109794 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238220 | 109794 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353544 | 109754 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.4 | CC(Cc1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237899 | 109754 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.4 | CC(Cc1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 71203427 | 109775 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237919 | 109775 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 587 | 7 | 3 | 5 | 5.5 | C[C@H](c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL266411 | 208937 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@H](Cc2ccc(O)cc2)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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm990559d | ||||
| 135819137 | 92419 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 8 | 2 | 3 | 6.1 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL24388 | 92419 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 373 | 8 | 2 | 3 | 6.1 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00143-9 | ||
| 19072347 | 52231 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 2 | 5.1 | Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL159163 | 52231 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 329 | 3 | 2 | 2 | 5.1 | Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 44319442 | 204602 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 5.3 | Fc1ccc(-c2[nH]c(-c3ccc(Br)o3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL87248 | 204602 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 383 | 3 | 1 | 3 | 5.3 | Fc1ccc(-c2[nH]c(-c3ccc(Br)o3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44373707 | 54665 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 483 | 10 | 2 | 5 | 5.7 | COc1cc(CCNC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL161494 | 54665 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 483 | 10 | 2 | 5 | 5.7 | COc1cc(CCNC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 22004948 | 92889 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 387 | 9 | 2 | 3 | 5.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)c(CO)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL24527 | 92889 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 387 | 9 | 2 | 3 | 5.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)c(CO)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| 145968206 | 164640 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 533 | 9 | 2 | 5 | 6.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228703 | 164640 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 533 | 9 | 2 | 5 | 6.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 53469258 | 109806 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 595 | 8 | 2 | 6 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2 | 10.1021/jm401858f | ||
| CHEMBL3238232 | 109806 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 595 | 8 | 2 | 6 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC12CCCCC2 | 10.1021/jm401858f | ||
| 16100310 | 78695 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 10 | 3 | 5 | 4.2 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCN(C(=O)C3CC3)CC2)cc1 | 10.1021/jm058026u | ||
| CHEMBL2113259 | 78695 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 576 | 10 | 3 | 5 | 4.2 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCN(C(=O)C3CC3)CC2)cc1 | 10.1021/jm058026u | ||
| 44561440 | 172020 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 584 | 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(OCC3CCCC3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL448921 | 172020 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 584 | 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(OCC3CCCC3)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 44561391 | 175089 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 6 | 3 | 8 | 4.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(O)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL458145 | 175089 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 502 | 6 | 3 | 8 | 4.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(O)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11249762 | 183259 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 183259 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
| 44561439 | 190607 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | 190607 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | 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 | ||
| 122189573 | 122827 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(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 | ||
| CHEMBL3616584 | 122827 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(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 | ||
| 122189696 | 122847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 650 | 10 | 3 | 6 | 6.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616675 | 122847 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 650 | 10 | 3 | 6 | 6.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)ccc2C(N)=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 129010852 | 142253 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 519 | 10 | 2 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c(C)sc2ccccc12 | nan | ||
| CHEMBL3892787 | 142253 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 519 | 10 | 2 | 3 | 7.8 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c(C)sc2ccccc12 | nan | ||
| 11444850 | 68625 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | 68625 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | 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 | ||
| 9955419 | 45033 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 2 | 5 | 5.3 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL152640 | 45033 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 2 | 5 | 5.3 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C | 10.1016/j.bmcl.2014.07.025 | ||
| 46853083 | 159775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 593 | 8 | 2 | 5 | 8.1 | CCC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| CHEMBL4110618 | 159775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 593 | 8 | 2 | 5 | 8.1 | CCC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| 9955419 | 45033 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 2 | 5 | 5.3 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C | 10.1021/jm0208572 | ||
| CHEMBL152640 | 45033 | 2 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 450 | 5 | 2 | 5 | 5.3 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(C#N)c4)cccc32)c1C | 10.1021/jm0208572 | ||
| CHEMBL413666 | 211332 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 11952035 | 150938 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | 150938 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | ||
| 46853084 | 159309 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 607 | 9 | 2 | 5 | 7.8 | CCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| CHEMBL4106672 | 159309 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 607 | 9 | 2 | 5 | 7.8 | CCC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| 57518490 | 80977 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | 80977 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | ||
| 122189709 | 122860 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | 122860 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | ||
| 122189722 | 122874 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | 122874 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | 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 | ||
| 11273570 | 68574 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 620 | 8 | 2 | 9 | 5.3 | CCOc1cc(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 | ||
| CHEMBL1922714 | 68574 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 620 | 8 | 2 | 9 | 5.3 | CCOc1cc(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 | ||
| 11038653 | 44846 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 6 | 2 | 6 | 5.4 | N#Cc1cc(C(=O)N/N=C/c2ccc(N(C(=O)C3CCCC3)C(=O)C3CCCC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| CHEMBL152477 | 44846 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 522 | 6 | 2 | 6 | 5.4 | N#Cc1cc(C(=O)N/N=C/c2ccc(N(C(=O)C3CCCC3)C(=O)C3CCCC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| 44373213 | 119332 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 6.9 | CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL348555 | 119332 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 6.9 | CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135819157 | 9876 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114762 | 9876 | 3 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 11570626 | 2513 | 40 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | 10.1016/j.bmc.2018.02.036 | ||
| 9135 | 2513 | 40 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL1933349 | 2513 | 40 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | 10.1016/j.bmc.2018.02.036 | ||
| DB12044 | 2513 | 40 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | 10.1016/j.bmc.2018.02.036 | ||
| 10073574 | 45171 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1021/jm0208572 | ||
| CHEMBL152765 | 45171 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1021/jm0208572 | ||
| 10073574 | 45171 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL152765 | 45171 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 473 | 9 | 2 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 44319258 | 204271 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.9 | Cc1cnccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL84759 | 204271 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.9 | Cc1cnccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL439271 | 212081 | 0 | None | - | 1 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O | 10.1021/jm960800d | ||||
| 44373192 | 119231 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL347663 | 119231 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 12967031 | 111084 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL328126 | 111084 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135503676 | 5313 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm000547o | ||
| CHEMBL107070 | 5313 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm000547o | ||
| 58352937 | 109803 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238229 | 109803 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 141465320 | 164613 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 8 | 2 | 4 | 6.6 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228215 | 164613 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 521 | 8 | 2 | 4 | 6.6 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| 11068219 | 49411 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 354 | 4 | 3 | 4 | 3.5 | O=C(N/N=C/c1cccc2c(CO)cccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL156654 | 49411 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 354 | 4 | 3 | 4 | 3.5 | O=C(N/N=C/c1cccc2c(CO)cccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 135503676 | 5313 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL107070 | 5313 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| 135538098 | 162826 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 321 | 3 | 4 | 5 | 2.6 | Nc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL419364 | 162826 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 321 | 3 | 4 | 5 | 2.6 | Nc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 135819157 | 9876 | 3 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114762 | 9876 | 3 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 10393937 | 187804 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | 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 | 187804 | 0 | None | - | 0 | Rat | 5.7 | pIC50 | = | 5.7 | 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 | ||
| CHEMBL427744 | 211622 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL438218 | 212007 | 0 | None | - | 1 | Rat | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 9902041 | 61512 | 13 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 330 | 3 | 2 | 3 | 4.5 | Nc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL17736 | 61512 | 13 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 330 | 3 | 2 | 3 | 4.5 | Nc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 10592750 | 106669 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.1 | Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL316264 | 106669 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 333 | 3 | 1 | 2 | 5.1 | Fc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 53323247 | 56564 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | 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 | 56564 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | 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 | ||
| 56602933 | 126560 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 517 | 10 | 2 | 4 | 5.5 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| CHEMBL3656298 | 126560 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 517 | 10 | 2 | 4 | 5.5 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| 11383934 | 51508 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 3.3 | COc1cc(CO/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1C(C)C | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL158497 | 51508 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 397 | 8 | 2 | 7 | 3.3 | COc1cc(CO/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1C(C)C | 10.1016/s0960-894x(01)00819-8 | ||
| 22005295 | 33929 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 311 | 8 | 1 | 2 | 5.1 | CCCCCc1c(CC)nc(CC)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL142589 | 33929 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 311 | 8 | 1 | 2 | 5.1 | CCCCCc1c(CC)nc(CC)c(CO)c1-c1ccccc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 127046645 | 139115 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NC(C)CC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3797757 | 139115 | 0 | None | - | 0 | Human | 4.7 | pIC50 | = | 4.7 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.9 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NC(C)CC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 135503676 | 5313 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL107070 | 5313 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 58352803 | 109793 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238219 | 109793 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 16100296 | 201151 | 40 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | 201151 | 40 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | 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 | ||
| 44278221 | 161129 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2665 | 87 | 37 | 35 | -8.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 91931633 | 161129 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2665 | 87 | 37 | 35 | -8.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| CHEMBL413208 | 161129 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 2665 | 87 | 37 | 35 | -8.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 11114038 | 44445 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 8 | 3 | 5 | 5.4 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152103 | 44445 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 8 | 3 | 5 | 5.4 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL2111214 | 44445 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 519 | 8 | 3 | 5 | 5.4 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44372888 | 53679 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 330 | 3 | 1 | 1 | 6.1 | Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160550 | 53679 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 330 | 3 | 1 | 1 | 6.1 | Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 15407872 | 59818 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.8 | N#Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL17396 | 59818 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.8 | N#Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 16100303 | 82867 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 588 | 9 | 3 | 5 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(C#N)cc2OC(F)(F)F)CC1 | 10.1021/jm058026u | ||
| CHEMBL218871 | 82867 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 588 | 9 | 3 | 5 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(C#N)cc2OC(F)(F)F)CC1 | 10.1021/jm058026u | ||
| 11952035 | 86389 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | 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 | 86389 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | 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 | ||
| 22496449 | 173865 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | 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 | 173865 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | 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 | ||
| 11950971 | 150371 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | 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 | 150371 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | 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 | ||
| 45381379 | 109784 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(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 | ||
| CHEMBL3237928 | 109784 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(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 | ||
| 90655064 | 109802 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238228 | 109802 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11951857 | 96539 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 605 | 7 | 3 | 6 | 7.1 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL266489 | 96539 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 605 | 7 | 3 | 6 | 7.1 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 11826682 | 119024 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 5 | 2 | 5 | 5.1 | N#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3Cc2ccc(C(F)(F)F)cc2)ccc1O | 10.1021/jm0208572 | ||
| CHEMBL345713 | 119024 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 462 | 5 | 2 | 5 | 5.1 | N#Cc1cc(C(=O)N/N=C/c2cccc3c2ccn3Cc2ccc(C(F)(F)F)cc2)ccc1O | 10.1021/jm0208572 | ||
| 10982999 | 164401 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 437 | 7 | 2 | 4 | 4.4 | CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL422506 | 164401 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 437 | 7 | 2 | 4 | 4.4 | CCN(CC)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 9957123 | 119433 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 487 | 6 | 2 | 5 | 5.7 | O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL349552 | 119433 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 487 | 6 | 2 | 5 | 5.7 | O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 9929037 | 53601 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160490 | 53601 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10076995 | 56642 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 583 | 8 | 2 | 9 | 4.3 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644195 | 56642 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 583 | 8 | 2 | 9 | 4.3 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11186974 | 33738 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL142414 | 33738 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 343 | 6 | 1 | 2 | 6.1 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 44319495 | 204393 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL85807 | 204393 | 3 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3cccc(Oc4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 10338890 | 204303 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85009 | 204303 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 135819133 | 113915 | 3 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL333147 | 113915 | 3 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 44372847 | 53363 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 328 | 3 | 1 | 1 | 5.9 | Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160289 | 53363 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 328 | 3 | 1 | 1 | 5.9 | Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44318988 | 204288 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.8 | Fc1ccc(-c2[nH]c(-c3ccc(Br)s3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL84917 | 204288 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.8 | Fc1ccc(-c2[nH]c(-c3ccc(Br)s3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58352940 | 109756 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237901 | 109756 | 0 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 1714260 | 204293 | 20 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 374 | 3 | 1 | 1 | 6.2 | Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL84952 | 204293 | 20 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 374 | 3 | 1 | 1 | 6.2 | Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 59092268 | 78475 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 4.8 | O=C(N/N=C/c1ccc(CS(=O)(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL2112909 | 78475 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 4.8 | O=C(N/N=C/c1ccc(CS(=O)(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 20775791 | 188114 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 597 | 10 | 3 | 7 | 5.7 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL504260 | 188114 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 597 | 10 | 3 | 7 | 5.7 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 16100298 | 82942 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 547 | 8 | 3 | 3 | 6.8 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm058026u | ||
| CHEMBL219307 | 82942 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 547 | 8 | 3 | 3 | 6.8 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 | 10.1021/jm058026u | ||
| 16100296 | 72067 | 40 | None | - | 0 | Rat | 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 | 72067 | 40 | None | - | 0 | Rat | 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 | ||
| 16223791 | 68644 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 12 | 2 | 5 | 7.4 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922925 | 68644 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 614 | 12 | 2 | 5 | 7.4 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC)c(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 45381051 | 109780 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CCCC[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 | ||
| CHEMBL3237924 | 109780 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CCCC[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 | ||
| 58353067 | 109791 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238217 | 109791 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 619 | 8 | 2 | 6 | 6.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cc(F)cc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 9824797 | 45470 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 445 | 6 | 2 | 4 | 5.9 | CC(C)c1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1 | 10.1021/jm0208572 | ||
| CHEMBL153038 | 45470 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 445 | 6 | 2 | 4 | 5.9 | CC(C)c1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1 | 10.1021/jm0208572 | ||
| 44373782 | 119356 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 9 | 2 | 6 | 5.5 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL348785 | 119356 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 482 | 9 | 2 | 6 | 5.5 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 10338890 | 204303 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL85009 | 204303 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 16100296 | 72067 | 40 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm7015599 | ||
| CHEMBL198736 | 72067 | 40 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 563 | 9 | 3 | 4 | 6.4 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm7015599 | ||
| 12967034 | 119519 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL350255 | 119519 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44373083 | 52091 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158989 | 52091 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 145969316 | 164579 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4C(F)(F)F)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227667 | 164579 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4ccccc4C(F)(F)F)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 11352330 | 185991 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 5.4 | Cn1c(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL487828 | 185991 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 490 | 8 | 2 | 5 | 5.4 | Cn1c(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 44372701 | 52257 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL159198 | 52257 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372700 | 168045 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL436022 | 168045 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353662 | 109760 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237905 | 109760 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL412679 | 211267 | 0 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| 44275043 | 98247 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 354 | 8 | 2 | 3 | 5.8 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1N | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL277627 | 98247 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 354 | 8 | 2 | 3 | 5.8 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1N | 10.1016/s0960-894x(02)00143-9 | ||
| 135504174 | 5348 | 4 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 309 | 4 | 3 | 4 | 2.6 | COc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL107258 | 5348 | 4 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 309 | 4 | 3 | 4 | 2.6 | COc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 60170766 | 80966 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2cccc(OC(F)(F)F)c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159326 | 80966 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2cccc(OC(F)(F)F)c2)cc1 | 10.1021/jm300579z | ||
| 164617749 | 183986 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 3371 | 111 | 52 | 49 | -17.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)CN(CCCC(=O)O)C(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4848485 | 183986 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 3371 | 111 | 52 | 49 | -17.3 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)CN(CCCC(=O)O)C(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 16224591 | 68639 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922920 | 68639 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(OC(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 71243005 | 109781 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 637 | 10 | 2 | 6 | 7.3 | CCCCC[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 | ||
| CHEMBL3237925 | 109781 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 637 | 10 | 2 | 6 | 7.3 | CCCCC[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 | ||
| 53469443 | 109818 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | 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 | 109818 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Binding | 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 | ||
| 11283703 | 174523 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 8 | 2 | 7 | 5.8 | CCCn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL456877 | 174523 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 514 | 8 | 2 | 7 | 5.8 | CCCn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11410772 | 68345 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 7 | 2 | 9 | 4.8 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1921810 | 68345 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 592 | 7 | 2 | 9 | 4.8 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(OC(F)(F)F)ccc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 44372720 | 48311 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155694 | 48311 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 22004988 | 164619 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 385 | 9 | 1 | 2 | 7.3 | CCCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL422833 | 164619 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 385 | 9 | 1 | 2 | 7.3 | CCCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 10076778 | 56643 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 10 | 2 | 5 | 6.5 | CC(c1ccc(Cl)cc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)NCCC(=O)O)cc2)n1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644196 | 56643 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 10 | 2 | 5 | 6.5 | CC(c1ccc(Cl)cc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)NCCC(=O)O)cc2)n1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11704225 | 113487 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 409 | 5 | 3 | 6 | 3.8 | CC(C)c1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326186 | 113487 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 409 | 5 | 3 | 6 | 3.8 | CC(C)c1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 44319713 | 106684 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 9 | 1 | 4 | 7.0 | CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL316361 | 106684 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 447 | 9 | 1 | 4 | 7.0 | CCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCC)c1 | 10.1007/s00044-013-0869-9 | ||
| 16100301 | 168690 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 578 | 11 | 3 | 4 | 6.0 | CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc1 | 10.1021/jm058026u | ||
| CHEMBL441160 | 168690 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 578 | 11 | 3 | 4 | 6.0 | CCN(CC)C(=O)c1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc1 | 10.1021/jm058026u | ||
| 44278463 | 96034 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2637 | 85 | 37 | 35 | -9.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 91931631 | 96034 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2637 | 85 | 37 | 35 | -9.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| CHEMBL262418 | 96034 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 2637 | 85 | 37 | 35 | -9.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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)Cc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 135819149 | 10352 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL116413 | 10352 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 22496358 | 186736 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 186736 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
| 44372847 | 53363 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 3 | 1 | 1 | 5.9 | Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160289 | 53363 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 328 | 3 | 1 | 1 | 5.9 | Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 3505 | 2182 | 39 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 5311276 | 2182 | 39 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351772 | 2182 | 39 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 10461326 | 56634 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 607 | 10 | 2 | 6 | 6.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644187 | 56634 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 607 | 10 | 2 | 6 | 6.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(OC(F)(F)F)cc2)cc1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL413030 | 211299 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)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]2CCCCNC(=O)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc3c[nH]cn3)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H](CO)C(=O)N2)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm990559d | ||||
| 22005250 | 34355 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 357 | 7 | 1 | 2 | 6.5 | CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL142944 | 34355 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 357 | 7 | 1 | 2 | 6.5 | CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 44319474 | 106570 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL315613 | 106570 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 58352863 | 109759 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237904 | 109759 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10873618 | 50819 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)Cn1ccc2c(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cccc21 | 10.1021/jm0208572 | ||
| CHEMBL157913 | 50819 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 426 | 7 | 2 | 5 | 3.6 | CCN(CC)C(=O)Cn1ccc2c(/C=N/NC(=O)c3ccc(O)c(Cl)c3)cccc21 | 10.1021/jm0208572 | ||
| 44372700 | 168045 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL436022 | 168045 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 57394374 | 68657 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 608 | 14 | 2 | 5 | 7.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922937 | 68657 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 608 | 14 | 2 | 5 | 7.5 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 68243839 | 109799 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1ccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238225 | 109799 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 613 | 9 | 2 | 7 | 6.3 | COc1ccc(C2=N[C@]3(CC[C@@H](C(C)(C)C)CC3)N([C@H](CCC(C)(C)C)c3ccc(C(=O)NCc4nn[nH]n4)cc3)C2=O)cc1 | 10.1021/jm401858f | ||
| 122189699 | 122850 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cn1 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616678 | 122850 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)cn1 | 10.1016/j.bmcl.2015.08.015 | ||
| 12967035 | 51560 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158535 | 51560 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44373103 | 53858 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 5.7 | CCOC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160690 | 53858 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 5.7 | CCOC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 11142525 | 5621 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 346 | 5 | 2 | 4 | 3.8 | COc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)ccc1O | 10.1021/jm000547o | ||
| CHEMBL107802 | 5621 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 346 | 5 | 2 | 4 | 3.8 | COc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)ccc1O | 10.1021/jm000547o | ||
| 20775792 | 188195 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 581 | 9 | 3 | 6 | 5.8 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| CHEMBL505685 | 188195 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 581 | 9 | 3 | 6 | 5.8 | O=C(NC[C@@H](O)C(=O)O)c1ccc(CN(c2ccc3c(c2)CCC3)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1 | 10.1021/jm8016249 | ||
| 16100315 | 82889 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 9 | 3 | 4 | 5.7 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C2Cc3ccccc3C2)cc1 | 10.1021/jm058026u | ||
| CHEMBL219010 | 82889 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 557 | 9 | 3 | 4 | 5.7 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(SC(F)(F)F)cc2)C2Cc3ccccc3C2)cc1 | 10.1021/jm058026u | ||
| 44372677 | 53476 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160380 | 53476 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| 11048896 | 48092 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 5 | 2 | 5 | 3.3 | CN1CCN(C(=O)Cc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1 | 10.1021/jm0208572 | ||
| CHEMBL155449 | 48092 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 464 | 5 | 2 | 5 | 3.3 | CN1CCN(C(=O)Cc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)CC1 | 10.1021/jm0208572 | ||
| 10369510 | 172548 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | 172548 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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 | ||
| 44319474 | 106570 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315613 | 106570 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 135503676 | 5313 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm000547o | ||
| CHEMBL107070 | 5313 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 340 | 3 | 3 | 4 | 3.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm000547o | ||
| 10257357 | 141306 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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/jm058026u | ||
| CHEMBL386446 | 141306 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | 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/jm058026u | ||
| 9869430 | 121453 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 6.1 | O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(Cl)c(Cl)c1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL359126 | 121453 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 6.1 | O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(Cl)c(Cl)c1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 11049977 | 119142 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 557 | 10 | 3 | 6 | 6.0 | O=C(N/N=C/c1ccc(OCCNCc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL346801 | 119142 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 557 | 10 | 3 | 6 | 6.0 | O=C(N/N=C/c1ccc(OCCNCc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44373213 | 119332 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 6.9 | CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL348555 | 119332 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 6.9 | CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 12967035 | 51560 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158535 | 51560 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 9952509 | 204653 | 11 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL87588 | 204653 | 11 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 53469821 | 109813 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 655 | 10 | 2 | 4 | 8.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238240 | 109813 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 655 | 10 | 2 | 4 | 8.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 68864642 | 113476 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 4 | 3 | 4 | 5.2 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326173 | 113476 | 0 | None | - | 0 | Rat | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 476 | 4 | 3 | 4 | 5.2 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Br)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 9985258 | 178405 | 9 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | 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 | 178405 | 9 | None | - | 0 | Rat | 5.6 | pIC50 | = | 5.6 | 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 | ||
| 44372405 | 51723 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 3 | 1 | 1 | 5.6 | Fc1ccc(-c2cc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158671 | 51723 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 314 | 3 | 1 | 1 | 5.6 | Fc1ccc(-c2cc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10077065 | 56639 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 10 | 2 | 7 | 4.8 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n(Cc3ccc(C(=O)NCCC(=O)O)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644192 | 56639 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 587 | 10 | 2 | 7 | 4.8 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n(Cc3ccc(C(=O)NCCC(=O)O)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 44373585 | 51592 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 464 | 9 | 3 | 7 | 4.6 | COc1cc(/C=N/NC(=O)c2ccc(O)c(O)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL158556 | 51592 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 464 | 9 | 3 | 7 | 4.6 | COc1cc(/C=N/NC(=O)c2ccc(O)c(O)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 11625113 | 113483 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 381 | 4 | 3 | 6 | 2.9 | Cc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326181 | 113483 | 0 | None | - | 0 | Rat | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 381 | 4 | 3 | 6 | 2.9 | Cc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 145967583 | 164400 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 6.8 | COc1ccc2cc(-c3c(C)c(-c4cccc(C)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4225050 | 164400 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 6.8 | COc1ccc2cc(-c3c(C)c(-c4cccc(C)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 145970933 | 164599 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 8 | 2 | 4 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227967 | 164599 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 557 | 8 | 2 | 4 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| 129010851 | 150452 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 553 | 10 | 2 | 3 | 8.4 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C)cc(Cl)cc12 | nan | ||
| CHEMBL3958315 | 150452 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 553 | 10 | 2 | 3 | 8.4 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C)cc(Cl)cc12 | nan | ||
| 135819143 | 9884 | 6 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 373 | 7 | 2 | 3 | 6.2 | CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114799 | 9884 | 6 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 373 | 7 | 2 | 3 | 6.2 | CCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 16223987 | 68637 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922918 | 68637 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 600 | 12 | 2 | 5 | 7.2 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 16224781 | 68647 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 574 | 11 | 2 | 6 | 6.1 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922928 | 68647 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 574 | 11 | 2 | 6 | 6.1 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmcl.2011.09.105 | ||
| 53325824 | 56632 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.6 | O=C(NC[C@@H](O)C(=O)O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644185 | 56632 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 593 | 9 | 3 | 6 | 5.6 | O=C(NC[C@@H](O)C(=O)O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11949739 | 160686 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | 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 | 160686 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | 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 | ||
| 11037917 | 49825 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 462 | 7 | 3 | 6 | 3.9 | COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 | 10.1021/jm0208572 | ||
| CHEMBL157000 | 49825 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 462 | 7 | 3 | 6 | 3.9 | COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 | 10.1021/jm0208572 | ||
| 45381379 | 109784 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(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 | ||
| CHEMBL3237928 | 109784 | 0 | None | - | 0 | Mouse | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(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 | ||
| 145967899 | 164538 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 574 | 8 | 2 | 5 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2c(ccn2C)c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227099 | 164538 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 574 | 8 | 2 | 5 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2c(ccn2C)c1 | 10.1016/j.bmc.2018.02.036 | ||
| 10066912 | 204442 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | CC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL86250 | 204442 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | CC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44319712 | 105452 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.8 | Fc1ccc(-c2[nH]c(-c3cc(Br)cs3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL312825 | 105452 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.8 | Fc1ccc(-c2[nH]c(-c3cc(Br)cs3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58353695 | 109770 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237914 | 109770 | 0 | None | - | 0 | Mouse | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 135501650 | 5610 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 322 | 3 | 4 | 5 | 2.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1O | 10.1021/jm000547o | ||
| CHEMBL107795 | 5610 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 322 | 3 | 4 | 5 | 2.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)cc1O | 10.1021/jm000547o | ||
| 44372650 | 53511 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 344 | 4 | 1 | 2 | 5.6 | COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160401 | 53511 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 344 | 4 | 1 | 2 | 5.6 | COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 44372688 | 49163 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL156458 | 49163 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| 11113699 | 47071 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 6 | 2 | 5 | 5.7 | O=C(N/N=C/c1ccc2c(ccn2Cc2ccc(OC(F)(F)F)cc2)c1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL154437 | 47071 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 487 | 6 | 2 | 5 | 5.7 | O=C(N/N=C/c1ccc2c(ccn2Cc2ccc(OC(F)(F)F)cc2)c1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 11024220 | 46420 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 2.9 | O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(F)c1 | 10.1021/jm0208572 | ||
| CHEMBL153905 | 46420 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 338 | 4 | 3 | 4 | 2.9 | O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(F)c1 | 10.1021/jm0208572 | ||
| 11782911 | 119010 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 345 | 4 | 3 | 5 | 2.7 | N#Cc1cc(C(=O)N/N=C/c2ccc(CO)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| CHEMBL345589 | 119010 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 345 | 4 | 3 | 5 | 2.7 | N#Cc1cc(C(=O)N/N=C/c2ccc(CO)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| 10093802 | 106431 | 3 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL314701 | 106431 | 3 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 44372556 | 48885 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.3 | CSc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL156207 | 48885 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.3 | CSc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44373191 | 119209 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 7.6 | CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL347462 | 119209 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 7.6 | CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 9952509 | 204653 | 11 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL87588 | 204653 | 11 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 10882636 | 4793 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 350 | 5 | 2 | 5 | 3.3 | COc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL104338 | 4793 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 350 | 5 | 2 | 5 | 3.3 | COc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 11640146 | 113322 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 409 | 6 | 3 | 6 | 3.6 | CCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3325456 | 113322 | 0 | None | - | 0 | Rat | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 409 | 6 | 3 | 6 | 3.6 | CCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 10481623 | 56568 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 515 | 9 | 2 | 5 | 5.7 | O=C(O)CCNC(=O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643956 | 56568 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 515 | 9 | 2 | 5 | 5.7 | O=C(O)CCNC(=O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 9983854 | 56619 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)n(C3CCCCC3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644172 | 56619 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)n(C3CCCCC3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 53325825 | 56649 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 9 | 2 | 6 | 5.9 | O=C(O)CNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644202 | 56649 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 9 | 2 | 6 | 5.9 | O=C(O)CNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11034750 | 168845 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 326 | 4 | 2 | 4 | 3.5 | COc1cc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)ccc1O | 10.1021/jm000547o | ||
| CHEMBL442389 | 168845 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 326 | 4 | 2 | 4 | 3.5 | COc1cc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)ccc1O | 10.1021/jm000547o | ||
| 16100321 | 137367 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 4 | 5 | 5.5 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(=O)NO)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL376322 | 137367 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 564 | 8 | 4 | 5 | 5.5 | CC(C)(C)C1CCC(N(Cc2ccc(C(=O)NCC(=O)NO)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 44373192 | 119231 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL347663 | 119231 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 122189580 | 122834 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 637 | 10 | 2 | 6 | 7.7 | COc1ccc(Cl)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616591 | 122834 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 637 | 10 | 2 | 6 | 7.7 | COc1ccc(Cl)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189702 | 122853 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 675 | 9 | 2 | 5 | 8.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616681 | 122853 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 675 | 9 | 2 | 5 | 8.8 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(C(F)(F)F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189711 | 122862 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 629 | 12 | 2 | 5 | 8.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616690 | 122862 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 629 | 12 | 2 | 5 | 8.4 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccccc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11308245 | 68622 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 648 | 10 | 2 | 9 | 6.1 | CCCCOc1cc(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 | ||
| CHEMBL1922836 | 68622 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 648 | 10 | 2 | 9 | 6.1 | CCCCOc1cc(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 | ||
| 23550062 | 56563 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | 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 | 56563 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | 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 | ||
| 129010863 | 151539 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 633 | 10 | 2 | 4 | 8.0 | CCC[C@H](c1ccc(C(=O)NCCS(=O)(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| CHEMBL3967446 | 151539 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 633 | 10 | 2 | 4 | 8.0 | CCC[C@H](c1ccc(C(=O)NCCS(=O)(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(Br)cc(C)cc12 | nan | ||
| 122189716 | 122867 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 660 | 13 | 2 | 7 | 7.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616695 | 122867 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 660 | 13 | 2 | 7 | 7.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)nc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11950795 | 86390 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | 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 | 86390 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | 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 | ||
| 11145871 | 49509 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 6.2 | O=C(N/N=C/c1ccc(N(C(=O)C2CCCC2)C(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL156724 | 49509 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 531 | 6 | 2 | 5 | 6.2 | O=C(N/N=C/c1ccc(N(C(=O)C2CCCC2)C(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 122189719 | 122870 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 683 | 12 | 2 | 5 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616698 | 122870 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 683 | 12 | 2 | 5 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)c(F)c(F)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL267189 | 208968 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| CHEMBL413890 | 211349 | 21 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](CCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| 11952211 | 153207 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | 153207 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | ||
| 10032265 | 185740 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
| CHEMBL487476 | 185740 | 1 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
| 44372904 | 53689 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 6.9 | CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160561 | 53689 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 6.9 | CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135819133 | 113915 | 3 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL333147 | 113915 | 3 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 44372688 | 49163 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL156458 | 49163 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 11490222 | 68566 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 6 | 2 | 8 | 5.3 | Cc1cc(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 | ||
| CHEMBL1922706 | 68566 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 590 | 6 | 2 | 8 | 5.3 | Cc1cc(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 | ||
| 145969571 | 164616 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 561 | 8 | 2 | 5 | 7.4 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2occc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228281 | 164616 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 561 | 8 | 2 | 5 | 7.4 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2occc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 22004872 | 34281 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 8 | 1 | 2 | 6.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL142886 | 34281 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 8 | 1 | 2 | 6.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 44372701 | 52257 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL159198 | 52257 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 10133915 | 61440 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 373 | 4 | 1 | 4 | 4.7 | COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL17722 | 61440 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 373 | 4 | 1 | 4 | 4.7 | COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44319276 | 204389 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 6.6 | Fc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL85741 | 204389 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 391 | 4 | 1 | 2 | 6.6 | Fc1ccc(-c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44372478 | 51578 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158548 | 51578 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10076914 | 56636 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 9 | 2 | 6 | 5.9 | O=C(O)CNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644189 | 56636 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 579 | 9 | 2 | 6 | 5.9 | O=C(O)CNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 22005388 | 94037 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(F)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25137 | 94037 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(F)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| 44373464 | 119197 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 496 | 9 | 3 | 6 | 5.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(C(=O)O)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL347370 | 119197 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 496 | 9 | 3 | 6 | 5.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(C(=O)O)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 44372478 | 51578 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158548 | 51578 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44369291 | 44898 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 7 | 2 | 5 | 5.4 | O=C(N/N=C/c1cn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152537 | 44898 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 469 | 7 | 2 | 5 | 5.4 | O=C(N/N=C/c1cn(Cc2ccc(OC(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 57399593 | 68638 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922919 | 68638 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 584 | 11 | 2 | 4 | 7.3 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(F)(F)F)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 58352937 | 109803 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238229 | 109803 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 637 | 9 | 2 | 6 | 7.2 | CC(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 44561390 | 175462 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 480 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C(C)(C)C)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459032 | 175462 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 480 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C(C)(C)C)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 57403703 | 68628 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | 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 | 68628 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | 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 | ||
| CHEMBL437860 | 211988 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| 44373486 | 51817 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 516 | 9 | 2 | 6 | 6.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2Cl)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL158753 | 51817 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 516 | 9 | 2 | 6 | 6.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2Cl)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 71243005 | 109781 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 637 | 10 | 2 | 6 | 7.3 | CCCCC[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 | ||
| CHEMBL3237925 | 109781 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 637 | 10 | 2 | 6 | 7.3 | CCCCC[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 | ||
| 145967924 | 164576 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227634 | 164576 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccccc1-c1ccccc1 | 10.1016/j.bmc.2018.02.036 | ||
| 22496395 | 186765 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | 186765 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | 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 | ||
| 127047120 | 139196 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 577 | 7 | 2 | 6 | 6.0 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798231 | 139196 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 577 | 7 | 2 | 6 | 6.0 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2c(c1)OCCO2 | 10.1016/j.bmc.2016.04.053 | ||
| 16225394 | 68636 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 550 | 11 | 2 | 4 | 7.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922917 | 68636 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 550 | 11 | 2 | 4 | 7.0 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(Cl)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 10054055 | 187842 | 11 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 585 | 6 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@@]2(CCN(c3ccc(OC(F)(F)F)cc3)C(=O)N2Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL502203 | 187842 | 11 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 585 | 6 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@@]2(CCN(c3ccc(OC(F)(F)F)cc3)C(=O)N2Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| 44372396 | 53770 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 252 | 2 | 1 | 1 | 4.2 | Cc1cc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160627 | 53770 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 252 | 2 | 1 | 1 | 4.2 | Cc1cc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 | 10.1007/s00044-013-0801-3 | ||
| 44319591 | 106098 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 3 | 1 | 2 | 5.6 | Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL314238 | 106098 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 349 | 3 | 1 | 2 | 5.6 | Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58352952 | 109763 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(Cl)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237908 | 109763 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(Cl)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10044081 | 62274 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 7 | 1 | 6 | 4.6 | CCC(CC)C(=O)Nc1sc(-c2nnc(CC(C)C)o2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL178302 | 62274 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 360 | 7 | 1 | 6 | 4.6 | CCC(CC)C(=O)Nc1sc(-c2nnc(CC(C)C)o2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 145968140 | 164539 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.2 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227111 | 164539 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.2 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3Cc3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 10928006 | 119703 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 4 | 3 | 4 | 4.9 | CC(C)(C)C(=O)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL352005 | 119703 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 4 | 3 | 4 | 4.9 | CC(C)(C)C(=O)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 11114038 | 44445 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 8 | 3 | 5 | 5.4 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152103 | 44445 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 8 | 3 | 5 | 5.4 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL2111214 | 44445 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 519 | 8 | 3 | 5 | 5.4 | COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 9956429 | 49426 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 5.8 | O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(C(F)(F)F)cc1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL156666 | 49426 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 471 | 5 | 2 | 4 | 5.8 | O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(C(F)(F)F)cc1)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 58353679 | 109769 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237913 | 109769 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(OC(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53316573 | 56647 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.3 | O=C(O)CCNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644200 | 56647 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.3 | O=C(O)CCNC(=O)c1cccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)c1 | 10.1016/j.bmcl.2010.11.074 | ||
| 44373586 | 53891 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 6.1 | Cc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(C)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL160715 | 53891 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 6.1 | Cc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(C)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 58352868 | 109753 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.6 | CC(CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237898 | 109753 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.6 | CC(CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 58353156 | 109761 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237906 | 109761 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44318935 | 204312 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL85102 | 204312 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 71454981 | 80985 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 589 | 9 | 2 | 4 | 8.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1 | 10.1021/jm300579z | ||
| CHEMBL2159344 | 80985 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 589 | 9 | 2 | 4 | 8.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1 | 10.1021/jm300579z | ||
| 11952211 | 153207 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | 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 | 153207 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | 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 | ||
| 22496457 | 171990 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 171990 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| 57396139 | 68646 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 596 | 12 | 2 | 5 | 7.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922927 | 68646 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 596 | 12 | 2 | 5 | 7.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc2cc(OC)ccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 22496451 | 177444 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | 177444 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | 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 | ||
| CHEMBL2114176 | 207506 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](Cc1ccccc1)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](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 12967033 | 53784 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160638 | 53784 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372923 | 119037 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 430 | 9 | 1 | 2 | 8.0 | CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL345834 | 119037 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 430 | 9 | 1 | 2 | 8.0 | CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372676 | 119131 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL346698 | 119131 | 0 | None | - | 0 | Mouse | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353025 | 109768 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)ccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237912 | 109768 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)ccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11950795 | 86390 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | 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 | 86390 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | 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 | ||
| 44372638 | 50374 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL157529 | 50374 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 9998923 | 106423 | 2 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Fc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL314652 | 106423 | 2 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 365 | 3 | 1 | 2 | 6.1 | Fc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 9843239 | 106590 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 6.8 | CC(C)(C)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315800 | 106590 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 387 | 3 | 1 | 2 | 6.8 | CC(C)(C)c1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 135442286 | 5369 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 322 | 3 | 4 | 5 | 2.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(O)c1 | 10.1021/jm000547o | ||
| CHEMBL107388 | 5369 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 322 | 3 | 4 | 5 | 2.7 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(O)c1 | 10.1021/jm000547o | ||
| 56602867 | 126546 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 547 | 10 | 2 | 6 | 5.2 | CC(C)CC1(C)N=C(c2cccc(F)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[nH]2)cc1 | nan | ||
| CHEMBL3656284 | 126546 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 547 | 10 | 2 | 6 | 5.2 | CC(C)CC1(C)N=C(c2cccc(F)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nnn[nH]2)cc1 | nan | ||
| 135542465 | 5385 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 374 | 3 | 3 | 4 | 4.3 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1cc(Cl)c(O)c(Cl)c1 | 10.1021/jm000547o | ||
| CHEMBL107473 | 5385 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 374 | 3 | 3 | 4 | 4.3 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1cc(Cl)c(O)c(Cl)c1 | 10.1021/jm000547o | ||
| 122189707 | 122858 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 605 | 10 | 2 | 8 | 5.9 | COc1nccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)n1 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616686 | 122858 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 605 | 10 | 2 | 8 | 5.9 | COc1nccc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)n1 | 10.1016/j.bmcl.2015.08.015 | ||
| 16100299 | 82893 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 9 | 3 | 3 | 6.7 | CC(C)c1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc1 | 10.1021/jm058026u | ||
| CHEMBL219030 | 82893 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 521 | 9 | 3 | 3 | 6.7 | CC(C)c1ccc(NC(=O)N(Cc2ccc(C(=O)NCCC(=O)O)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)cc1 | 10.1021/jm058026u | ||
| 11048133 | 47096 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 6 | 2 | 4 | 4.4 | CCN(CC)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL154460 | 47096 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 423 | 6 | 2 | 4 | 4.4 | CCN(CC)C(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 44372638 | 50374 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL157529 | 50374 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 22005015 | 35080 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 9 | 1 | 2 | 6.8 | CCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL143664 | 35080 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 371 | 9 | 1 | 2 | 6.8 | CCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 89568983 | 126555 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 9 | 3 | 4 | 4.9 | CC1(C2CCCCC2)NC(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656293 | 126555 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 545 | 9 | 3 | 4 | 4.9 | CC1(C2CCCCC2)NC(c2cccc(C(F)(F)F)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| 44411371 | 139011 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 411 | 9 | 1 | 4 | 6.0 | COc1ccc(NCCCOc2ccc(C(=O)c3cccc4ccccc34)cc2)cc1 | 10.1016/j.bmcl.2006.02.013 | ||
| CHEMBL379600 | 139011 | 0 | None | - | 0 | Human | 4.5 | pIC50 | = | 4.5 | Binding | ChEMBL | 411 | 9 | 1 | 4 | 6.0 | COc1ccc(NCCCOc2ccc(C(=O)c3cccc4ccccc34)cc2)cc1 | 10.1016/j.bmcl.2006.02.013 | ||
| 44369018 | 47750 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 430 | 5 | 2 | 5 | 4.1 | CC(C)S(=O)(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL155021 | 47750 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 430 | 5 | 2 | 5 | 4.1 | CC(C)S(=O)(=O)c1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 11952035 | 150938 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | 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 | 150938 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | 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 | ||
| 10257357 | 141306 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | 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 | 141306 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 16100334 | 82961 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 9 | 3 | 4 | 6.3 | CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm7015599 | ||
| CHEMBL219384 | 82961 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 557 | 9 | 3 | 4 | 6.3 | CC(C)(C)c1ccc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1021/jm7015599 | ||
| 53469058 | 109805 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | 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)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238231 | 109805 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | 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)CC2 | 10.1021/jm401858f | ||
| 10053841 | 56629 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | 56629 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | ||
| 22496365 | 188266 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 188266 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 164616563 | 184824 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2983 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4861024 | 184824 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 2983 | 97 | 46 | 42 | -12.8 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 164612071 | 183973 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3198 | 104 | 49 | 45 | -13.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4848344 | 183973 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3198 | 104 | 49 | 45 | -13.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 164622383 | 185359 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3019 | 97 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4869368 | 185359 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3019 | 97 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(F)c(F)c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 9946911 | 53638 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 5.5 | O=[N+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160525 | 53638 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 5.5 | O=[N+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58352834 | 109766 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 5.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237910 | 109766 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 5.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 127046098 | 139553 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3800525 | 139553 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2ccccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 10383925 | 78540 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 7 | 1 | 6 | 4.6 | CCC(CC)C(=O)Nc1sc(-c2nc(CC(C)C)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL2112991 | 78540 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 7 | 1 | 6 | 4.6 | CCC(CC)C(=O)Nc1sc(-c2nc(CC(C)C)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 3505 | 2182 | 39 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 5311276 | 2182 | 39 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351772 | 2182 | 39 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 57390854 | 68655 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 11 | 2 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(C[C@H](CC2CC2)C(=O)c2cc3cc(Cl)ccc3n2-c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922935 | 68655 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 596 | 11 | 2 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(C[C@H](CC2CC2)C(=O)c2cc3cc(Cl)ccc3n2-c2cccc(C(F)(F)F)c2)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 176155 | 4101 | 0 | None | - | 4 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.7 | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL10 | 4101 | 0 | None | - | 4 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 377 | 4 | 1 | 3 | 4.7 | C[S+]([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 164628244 | 185865 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3025 | 98 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876499 | 185865 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3025 | 98 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 164609866 | 184644 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3371 | 111 | 53 | 49 | -17.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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[C@H](CCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4857992 | 184644 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3371 | 111 | 53 | 49 | -17.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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[C@H](CCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 164624086 | 185121 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3084 | 100 | 48 | 44 | -13.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4865509 | 185121 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 3084 | 100 | 48 | 44 | -13.9 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 60170767 | 80967 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | 80967 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | ||
| 44372846 | 53307 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 342 | 4 | 1 | 1 | 6.1 | CCc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160238 | 53307 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 342 | 4 | 1 | 1 | 6.1 | CCc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353206 | 109778 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 6.2 | 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 | ||
| CHEMBL3237922 | 109778 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 6.2 | 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 | ||
| 145971078 | 164456 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4225922 | 164456 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 597 | 9 | 2 | 4 | 8.3 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc(-c2ccccc2)c1 | 10.1016/j.bmc.2018.02.036 | ||
| 56602804 | 109807 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 555 | 8 | 2 | 6 | 5.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| CHEMBL3238233 | 109807 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 555 | 8 | 2 | 6 | 5.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| 10030697 | 178496 | 0 | None | - | 0 | Mouse | 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 | 178496 | 0 | None | - | 0 | Mouse | 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 | ||
| 44373192 | 119231 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL347663 | 119231 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 402 | 6 | 1 | 2 | 7.1 | CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| 22496384 | 186564 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | 186564 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 45381049 | 109800 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 618 | 8 | 2 | 7 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238226 | 109800 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 618 | 8 | 2 | 7 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 57400189 | 68565 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922705 | 68565 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 542 | 6 | 2 | 8 | 4.6 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 11102152 | 49642 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 3 | 4 | 5.1 | O=C(N/N=C/c1ccc(NC(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL156837 | 49642 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 5 | 3 | 4 | 5.1 | O=C(N/N=C/c1ccc(NC(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44372888 | 53679 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 330 | 3 | 1 | 1 | 6.1 | Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160550 | 53679 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 330 | 3 | 1 | 1 | 6.1 | Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44318935 | 204312 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL85102 | 204312 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 10436553 | 56565 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | 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 | 56565 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | 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 | ||
| 44389584 | 64262 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 395 | 7 | 1 | 4 | 5.0 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)Cc1ccccc1)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL181669 | 64262 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 395 | 7 | 1 | 4 | 5.0 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)Cc1ccccc1)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 10415723 | 56631 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | 56631 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | ||
| 122189723 | 122875 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.0 | COc1ccc(C(F)(F)F)cc1-c1nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616702 | 122875 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.0 | COc1ccc(C(F)(F)F)cc1-c1nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 44372405 | 51723 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 314 | 3 | 1 | 1 | 5.6 | Fc1ccc(-c2cc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158671 | 51723 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 314 | 3 | 1 | 1 | 5.6 | Fc1ccc(-c2cc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135533241 | 5312 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 324 | 3 | 3 | 4 | 3.2 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(F)c1 | 10.1021/jm000547o | ||
| CHEMBL107069 | 5312 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 324 | 3 | 3 | 4 | 3.2 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(F)c1 | 10.1021/jm000547o | ||
| 141465346 | 164628 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1ccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228470 | 164628 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 7.0 | Cc1ccc(-c2c(C)c(-c3cc(Cl)cc(Cl)c3)nn2C(C)c2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| 44373462 | 164242 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 6 | 2 | 4 | 5.9 | CC(C)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc32)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL421833 | 164242 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 445 | 6 | 2 | 4 | 5.9 | CC(C)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc32)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 127047253 | 139542 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3800473 | 139542 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 553 | 7 | 2 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 145989480 | 164657 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 560 | 8 | 3 | 4 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2[nH]ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228938 | 164657 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 560 | 8 | 3 | 4 | 7.1 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2[nH]ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL2114177 | 207507 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](C)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](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 44372870 | 53361 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160287 | 53361 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10232009 | 185879 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 185879 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
| 45381381 | 109788 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 663 | 8 | 2 | 6 | 7.1 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238214 | 109788 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 663 | 8 | 2 | 6 | 7.1 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(F)(F)F)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 11785044 | 175645 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459457 | 175645 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 486 | 6 | 2 | 7 | 5.0 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 44561479 | 178548 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 516 | 7 | 2 | 8 | 5.0 | COc1ccc2nc(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 | ||
| CHEMBL471979 | 178548 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 516 | 7 | 2 | 8 | 5.0 | COc1ccc2nc(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 | ||
| 44561438 | 188814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | 188814 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | 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 | ||
| 11421826 | 68556 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 6 | 2 | 8 | 5.2 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922696 | 68556 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 6 | 2 | 8 | 5.2 | Cn1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 122189570 | 122824 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(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 | ||
| CHEMBL3616581 | 122824 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 645 | 12 | 2 | 6 | 8.0 | CCCC(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 | ||
| 122189576 | 122830 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 628 | 11 | 2 | 4 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616587 | 122830 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 628 | 11 | 2 | 4 | 8.9 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189581 | 122835 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 639 | 10 | 2 | 6 | 7.4 | COc1cc(F)c(F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616592 | 122835 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 639 | 10 | 2 | 6 | 7.4 | COc1cc(F)c(F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189703 | 122854 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616682 | 122854 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 625 | 9 | 2 | 5 | 7.9 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(Cl)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189712 | 122863 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 693 | 13 | 2 | 6 | 9.0 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616691 | 122863 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 693 | 13 | 2 | 6 | 9.0 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3Cl)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189718 | 122869 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 649 | 12 | 2 | 6 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616697 | 122869 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 649 | 12 | 2 | 6 | 8.8 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(C)s3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189720 | 122871 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 629 | 10 | 2 | 5 | 8.2 | COc1ccc(C(F)(F)F)cc1-c1nn(C(c2ccc(C(=O)NCCC(=O)O)cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616699 | 122871 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 629 | 10 | 2 | 5 | 8.2 | COc1ccc(C(F)(F)F)cc1-c1nn(C(c2ccc(C(=O)NCCC(=O)O)cc2)C(C)C)c2cc(-c3ccc(C)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189721 | 122873 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 615 | 10 | 2 | 5 | 7.9 | CCC(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 | ||
| CHEMBL3616700 | 122873 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 615 | 10 | 2 | 5 | 7.9 | CCC(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 | ||
| 11621378 | 80994 | 3 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | 80994 | 3 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | ||
| 11952211 | 87523 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | 87523 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | ||
| CHEMBL2115191 | 207517 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](Cc1ccccc1)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](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 60170857 | 80983 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | 80983 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | 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 | ||
| 44368911 | 119351 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 472 | 7 | 2 | 4 | 6.7 | CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1 | 10.1021/jm0208572 | ||
| CHEMBL348702 | 119351 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 472 | 7 | 2 | 4 | 6.7 | CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1 | 10.1021/jm0208572 | ||
| 11421820 | 68570 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 6 | 2 | 7 | 5.9 | CCc1cc(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 | ||
| CHEMBL1922710 | 68570 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 576 | 6 | 2 | 7 | 5.9 | CCc1cc(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 | ||
| 60170856 | 80982 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | 80982 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | ||
| 10053876 | 46733 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 574 | 7 | 2 | 5 | 5.5 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL154159 | 46733 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 574 | 7 | 2 | 5 | 5.5 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 46853082 | 160211 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 617 | 12 | 2 | 5 | 8.4 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(-c3ccnn3C)cc(F)cc12 | nan | ||
| CHEMBL4114029 | 160211 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 617 | 12 | 2 | 5 | 8.4 | CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(-c3ccnn3C)cc(F)cc12 | nan | ||
| 11952214 | 86391 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | 86391 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | ||
| 11950971 | 150371 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | 150371 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | ||
| 11952394 | 86584 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | 86584 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | ||
| 10864579 | 46716 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 551 | 6 | 2 | 6 | 4.8 | N#Cc1cc(C(=O)N/N=C/c2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| CHEMBL154149 | 46716 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 551 | 6 | 2 | 6 | 4.8 | N#Cc1cc(C(=O)N/N=C/c2ccc(C(=O)N3CCN(Cc4ccc(Cl)cc4)CC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| 12967032 | 53355 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160281 | 53355 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 12967033 | 53784 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160638 | 53784 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372923 | 119037 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 9 | 1 | 2 | 8.0 | CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL345834 | 119037 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 430 | 9 | 1 | 2 | 8.0 | CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372676 | 119131 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL346698 | 119131 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44373191 | 119209 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 7.6 | CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL347462 | 119209 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 7.6 | CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 135819149 | 10352 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL116413 | 10352 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 341 | 6 | 2 | 3 | 5.7 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccccc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL267885 | 208991 | 0 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 122189706 | 122857 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 644 | 11 | 2 | 7 | 6.7 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616685 | 122857 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 644 | 11 | 2 | 7 | 6.7 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(C(=O)c2ccc(N(C)C)cc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 10474631 | 105472 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 375 | 3 | 1 | 2 | 5.6 | Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL312928 | 105472 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 375 | 3 | 1 | 2 | 5.6 | Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 11678967 | 80970 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | 80970 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | 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 | ||
| 44372454 | 119041 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 326 | 4 | 1 | 3 | 4.6 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL345863 | 119041 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 326 | 4 | 1 | 3 | 4.6 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372677 | 53476 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160380 | 53476 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44319591 | 106098 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 3 | 1 | 2 | 5.6 | Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL314238 | 106098 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 349 | 3 | 1 | 2 | 5.6 | Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 51031037 | 109773 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 581 | 6 | 2 | 6 | 5.8 | C[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237917 | 109773 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 581 | 6 | 2 | 6 | 5.8 | C[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 22005204 | 31453 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 329 | 6 | 1 | 2 | 5.6 | CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140514 | 31453 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 329 | 6 | 1 | 2 | 5.6 | CCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 58353350 | 109767 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237911 | 109767 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 9844728 | 13849 | 5 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 7 | 0 | 4 | 5.5 | CN(C)CCCN(C)c1nc2cc(Cl)c(Cl)cc2nc1/C=C/c1ccccc1 | 10.1016/S0960-894X(00)80587-9 | ||
| CHEMBL1196711 | 13849 | 5 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 7 | 0 | 4 | 5.5 | CN(C)CCCN(C)c1nc2cc(Cl)c(Cl)cc2nc1/C=C/c1ccccc1 | 10.1016/S0960-894X(00)80587-9 | ||
| CHEMBL557974 | 13849 | 5 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 414 | 7 | 0 | 4 | 5.5 | CN(C)CCCN(C)c1nc2cc(Cl)c(Cl)cc2nc1/C=C/c1ccccc1 | 10.1016/S0960-894X(00)80587-9 | ||
| 10970292 | 45920 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 4 | 3 | 4 | 3.5 | O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL153438 | 45920 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 354 | 4 | 3 | 4 | 3.5 | O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 127046643 | 139266 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 577 | 8 | 2 | 4 | 8.0 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798761 | 139266 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 577 | 8 | 2 | 4 | 8.0 | CC(CC(=O)O)NC(=O)c1ccc(C(C)n2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc(C(C)(C)C)cc2)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 127047907 | 139392 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 627 | 7 | 1 | 5 | 8.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799556 | 139392 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 627 | 7 | 1 | 5 | 8.2 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)N4CCC(C(=O)O)CC4)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 10053886 | 191168 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | 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 | 191168 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | 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 | ||
| 57393262 | 68561 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1cccc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922701 | 68561 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1cccc2c1n(C)/c(=N/c1ccc(OC(F)(F)F)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 45381051 | 109780 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CCCC[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 | ||
| CHEMBL3237924 | 109780 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CCCC[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 | ||
| 45381380 | 109783 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 6.8 | CC(C)C[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 | ||
| CHEMBL3237927 | 109783 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 623 | 8 | 2 | 6 | 6.8 | CC(C)C[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 | ||
| 22496441 | 178638 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 587 | 11 | 2 | 7 | 7.0 | COc1ccccc1-c1csc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(SC(F)(F)F)cc2)n1 | 10.1021/jm8016249 | ||
| CHEMBL472586 | 178638 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 587 | 11 | 2 | 7 | 7.0 | COc1ccccc1-c1csc(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(SC(F)(F)F)cc2)n1 | 10.1021/jm8016249 | ||
| 44372946 | 51479 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL158477 | 51479 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 | 10.1007/s00044-013-0801-3 | ||
| 12967032 | 53355 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160281 | 53355 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 12967033 | 53784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160638 | 53784 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 10324098 | 56569 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1643957 | 56569 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.3 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 56602930 | 126553 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 10 | 2 | 4 | 4.8 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656291 | 126553 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 517 | 10 | 2 | 4 | 4.8 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| 9929037 | 53601 | 0 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160490 | 53601 | 0 | None | - | 0 | Mouse | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10032265 | 185740 | 1 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | 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 | ||
| CHEMBL487476 | 185740 | 1 | None | - | 1 | Rat | 7.4 | pIC50 | = | 7.4 | 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 | ||
| 10326056 | 56627 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 589 | 8 | 2 | 8 | 5.8 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644180 | 56627 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 589 | 8 | 2 | 8 | 5.8 | O=C(Nc1nn[nH]n1)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 44372638 | 50374 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL157529 | 50374 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 68863912 | 113475 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 3 | 4 | 5.0 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Cl)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326172 | 113475 | 0 | None | - | 0 | Rat | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 432 | 4 | 3 | 4 | 5.0 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c(Cl)c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 53323150 | 56644 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 567 | 8 | 2 | 7 | 6.1 | CC(c1ccc(Cl)cc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)n1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644197 | 56644 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 567 | 8 | 2 | 7 | 6.1 | CC(c1ccc(Cl)cc1)c1cc(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)n1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11045195 | 5170 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 312 | 5 | 2 | 4 | 3.3 | COc1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)ccc1O | 10.1021/jm000547o | ||
| CHEMBL106320 | 5170 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 312 | 5 | 2 | 4 | 3.3 | COc1cc(C(=O)N/N=C/c2ccc(C(C)C)cc2)ccc1O | 10.1021/jm000547o | ||
| 11078726 | 5256 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 354 | 5 | 2 | 5 | 3.1 | COc1cc(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)ccc1O | 10.1021/jm000547o | ||
| CHEMBL106795 | 5256 | 0 | None | - | 0 | Human | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 354 | 5 | 2 | 5 | 3.1 | COc1cc(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)ccc1O | 10.1021/jm000547o | ||
| 58353662 | 109760 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237905 | 109760 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53469056 | 109804 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CC[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238230 | 109804 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 623 | 9 | 2 | 6 | 6.9 | CC[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@H](CCC(C)(C)C)c1ccc(C(=O)NCc2nn[nH]n2)cc1 | 10.1021/jm401858f | ||
| 44324149 | 205314 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.3 | CSc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL91652 | 205314 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.3 | CSc1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 44373213 | 119332 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 6.9 | CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL348555 | 119332 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 387 | 6 | 2 | 2 | 6.9 | CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 22496445 | 171240 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | 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 | 171240 | 0 | None | - | 0 | Rat | 5.4 | pIC50 | = | 5.4 | 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 | ||
| 58352858 | 109764 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237909 | 109764 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11646890 | 113486 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 395 | 5 | 3 | 6 | 3.2 | CCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326185 | 113486 | 0 | None | - | 0 | Rat | 4.4 | pIC50 | = | 4.4 | Binding | ChEMBL | 395 | 5 | 3 | 6 | 3.2 | CCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 11113396 | 47145 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 8 | 2 | 5 | 3.5 | CN(C)CCN(C)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL154498 | 47145 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 466 | 8 | 2 | 5 | 3.5 | CN(C)CCN(C)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 44372946 | 51479 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158477 | 51479 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 | 10.1016/s0960-894x(99)00081-5 | ||
| 57390853 | 68651 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 6.7 | CCC[C@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922931 | 68651 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 6.7 | CCC[C@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2011.09.105 | ||
| 10257629 | 186692 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | 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 | 186692 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 12967032 | 53355 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160281 | 53355 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353025 | 109768 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)ccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237912 | 109768 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)ccc2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 16225393 | 68641 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 6.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922922 | 68641 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 534 | 11 | 2 | 4 | 6.5 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 16100296 | 82931 | 40 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 10.1021/jm058026u | ||
| CHEMBL219244 | 82931 | 40 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 10.1021/jm058026u | ||
| 11081564 | 47131 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 7 | 3 | 6 | 4.2 | COc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 | 10.1021/jm0208572 | ||
| CHEMBL154485 | 47131 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 7 | 3 | 6 | 4.2 | COc1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1/C=N/NC(=O)c1ccc(O)c(C#N)c1 | 10.1021/jm0208572 | ||
| 58352954 | 109774 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 567 | 5 | 2 | 6 | 6.1 | C[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237918 | 109774 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 567 | 5 | 2 | 6 | 6.1 | C[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 127046099 | 139380 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 599 | 8 | 2 | 5 | 7.4 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C3CCc4cc(C(=O)NCCC(=O)O)ccc43)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799468 | 139380 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 599 | 8 | 2 | 5 | 7.4 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C3CCc4cc(C(=O)NCCC(=O)O)ccc43)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 12967035 | 51560 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL158535 | 51560 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 386 | 6 | 1 | 2 | 6.6 | C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1007/s00044-013-0801-3 | ||
| 22496477 | 172208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 172208 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| CHEMBL2369985 | 208020 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)C(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](Cc1ccc(O)cc1)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](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(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(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O)C(C)C)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL268636 | 209017 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL438045 | 212000 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| CHEMBL441209 | 212139 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/0960-894X(95)00307-F | ||||
| 22496371 | 169359 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 169359 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 44373730 | 54664 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 484 | 9 | 2 | 6 | 5.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(F)c2F)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL161483 | 54664 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 484 | 9 | 2 | 6 | 5.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(F)c2F)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 10030948 | 56624 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 9 | 2 | 5 | 7.0 | CC(C)(C)[C@H]1CC[C@H](c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644177 | 56624 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 571 | 9 | 2 | 5 | 7.0 | CC(C)(C)[C@H]1CC[C@H](c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)CC1 | 10.1016/j.bmcl.2010.11.074 | ||
| 9555433 | 4880 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 320 | 4 | 2 | 4 | 3.3 | COc1cc(C(=O)N/N=C/c2cccc3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL104761 | 4880 | 1 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 320 | 4 | 2 | 4 | 3.3 | COc1cc(C(=O)N/N=C/c2cccc3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 22005048 | 99245 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 369 | 9 | 1 | 3 | 6.2 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(OC)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL284699 | 99245 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 369 | 9 | 1 | 3 | 6.2 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(OC)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| 44561285 | 172535 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 434 | 4 | 2 | 3 | 6.4 | O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL452040 | 172535 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 434 | 4 | 2 | 3 | 6.4 | O=C(NC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 | 10.1016/j.bmcl.2008.05.072 | ||
| 11813262 | 49564 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 513 | 8 | 2 | 6 | 4.9 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(Cl)c1OCCN1CCc2ccccc2C1 | 10.1021/jm0208572 | ||
| CHEMBL156777 | 49564 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 513 | 8 | 2 | 6 | 4.9 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(Cl)c1OCCN1CCc2ccccc2C1 | 10.1021/jm0208572 | ||
| 44372870 | 53361 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160287 | 53361 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 11952213 | 86331 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 86331 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | 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 | ||
| 11102467 | 46849 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 8 | 2 | 5 | 4.2 | CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL154269 | 46849 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 453 | 8 | 2 | 5 | 4.2 | CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 9841863 | 59743 | 22 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL17370 | 59743 | 22 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372406 | 119311 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 320 | 3 | 1 | 1 | 5.9 | Fc1ccc(-c2cc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL348401 | 119311 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 320 | 3 | 1 | 1 | 5.9 | Fc1ccc(-c2cc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 9841863 | 59743 | 22 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL17370 | 59743 | 22 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 361 | 4 | 1 | 3 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58352858 | 109764 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237909 | 109764 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10483611 | 56626 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.3 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644179 | 56626 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 593 | 10 | 2 | 6 | 6.3 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 6875509 | 5136 | 9 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 320 | 4 | 2 | 4 | 3.3 | COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc12 | 10.1021/jm000547o | ||
| CHEMBL106134 | 5136 | 9 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 320 | 4 | 2 | 4 | 3.3 | COc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c2ccccc12 | 10.1021/jm000547o | ||
| 10960967 | 162988 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 5.0 | COc1cc(C(=O)N/N=C/c2cccc(Oc3cccc(C(F)(F)F)c3)c2)ccc1O | 10.1021/jm000547o | ||
| CHEMBL420290 | 162988 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 5.0 | COc1cc(C(=O)N/N=C/c2cccc(Oc3cccc(C(F)(F)F)c3)c2)ccc1O | 10.1021/jm000547o | ||
| 44373083 | 52091 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158989 | 52091 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 56602803 | 126548 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 495 | 9 | 2 | 4 | 5.0 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C | nan | ||
| CHEMBL3656286 | 126548 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 495 | 9 | 2 | 4 | 5.0 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C | nan | ||
| 141465337 | 164536 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 541 | 8 | 2 | 4 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227068 | 164536 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 541 | 8 | 2 | 4 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(Cc2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc(Cl)cc1 | 10.1016/j.bmc.2018.02.036 | ||
| 10211943 | 172671 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | 172671 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | 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 | ||
| 122189693 | 122844 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 659 | 9 | 2 | 5 | 8.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616672 | 122844 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 659 | 9 | 2 | 5 | 8.2 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 60170971 | 80989 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | 80989 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | 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 | ||
| 9825482 | 45610 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 6.0 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c1C | 10.1021/jm0208572 | ||
| CHEMBL153157 | 45610 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 5 | 2 | 4 | 6.0 | Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c1C | 10.1021/jm0208572 | ||
| 9885993 | 204795 | 6 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 376 | 4 | 1 | 2 | 5.3 | C[S+]([O-])c1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL88486 | 204795 | 6 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 376 | 4 | 1 | 2 | 5.3 | C[S+]([O-])c1ccc(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL263603 | 208837 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 57396141 | 68658 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 662 | 14 | 2 | 5 | 8.4 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922938 | 68658 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 662 | 14 | 2 | 5 | 8.4 | CCCCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1cccc(C(F)(F)F)c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 11102344 | 44655 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 445 | 5 | 2 | 4 | 5.7 | Cc1cc(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c(C)c1 | 10.1021/jm0208572 | ||
| CHEMBL152293 | 44655 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 445 | 5 | 2 | 4 | 5.7 | Cc1cc(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c(C)c1 | 10.1021/jm0208572 | ||
| 10907299 | 44831 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.6 | O=C(N/N=C/c1ccc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152464 | 44831 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 505 | 7 | 3 | 4 | 5.6 | O=C(N/N=C/c1ccc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44373083 | 52091 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL158989 | 52091 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 339 | 3 | 1 | 2 | 5.4 | N#Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 9946911 | 53638 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 5.5 | O=[N+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL160525 | 53638 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 359 | 4 | 1 | 3 | 5.5 | O=[N+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 44372471 | 48297 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155686 | 48297 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 57882748 | 139433 | 10 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL3799802 | 139433 | 10 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 122189698 | 122849 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1cncc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)c1 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616677 | 122849 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1cncc(-c2nn(C(C)c3ccc(C(=O)NCCC(=O)O)cc3)c3cc(-c4ccc(OC(F)(F)F)cc4)ccc23)c1 | 10.1016/j.bmcl.2015.08.015 | ||
| 22496449 | 173865 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 173865 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 44373527 | 51304 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 10 | 2 | 8 | 4.8 | COc1cc(/C=N/NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL158330 | 51304 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 493 | 10 | 2 | 8 | 4.8 | COc1cc(/C=N/NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 44319257 | 106597 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.9 | Cc1cc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)ccn1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL315836 | 106597 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 363 | 3 | 1 | 2 | 5.9 | Cc1cc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)ccn1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL409611 | 211024 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[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](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(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](CCS)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C=O)[C@H](C)O)C(C)C | 10.1021/jm960800d | ||||
| 44372677 | 53476 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160380 | 53476 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372923 | 119037 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 9 | 1 | 2 | 8.0 | CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL345834 | 119037 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 430 | 9 | 1 | 2 | 8.0 | CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372676 | 119131 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL346698 | 119131 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 374 | 5 | 1 | 2 | 6.5 | CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372454 | 119041 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 4 | 1 | 3 | 4.6 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL345863 | 119041 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 326 | 4 | 1 | 3 | 4.6 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353104 | 109779 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | CCC[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 | ||
| CHEMBL3237923 | 109779 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | CCC[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 | ||
| 145971123 | 164524 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 572 | 8 | 2 | 5 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ncccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4226911 | 164524 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 572 | 8 | 2 | 5 | 7.2 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1ccc2ncccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 135819135 | 93903 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 8 | 2 | 3 | 5.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1O | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25066 | 93903 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 355 | 8 | 2 | 3 | 5.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1O | 10.1016/s0960-894x(02)00143-9 | ||
| 135819157 | 9876 | 3 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114762 | 9876 | 3 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 345 | 5 | 2 | 3 | 5.5 | CCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 10144925 | 191250 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| CHEMBL519903 | 191250 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 10393937 | 187804 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 187804 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 57401358 | 68633 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 574 | 7 | 2 | 7 | 5.6 | O=C(Nc1nnn[nH]1)c1ccc(Cn2c(C(=O)c3ccc(OC(F)(F)F)cc3)cc3ccc(C(F)(F)F)cc32)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922914 | 68633 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 574 | 7 | 2 | 7 | 5.6 | O=C(Nc1nnn[nH]1)c1ccc(Cn2c(C(=O)c3ccc(OC(F)(F)F)cc3)cc3ccc(C(F)(F)F)cc32)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 10962252 | 45152 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 7 | 3 | 5 | 5.6 | O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)Nc1ccc(Cl)cc1 | 10.1021/jm0208572 | ||
| CHEMBL152747 | 45152 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 7 | 3 | 5 | 5.6 | O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)Nc1ccc(Cl)cc1 | 10.1021/jm0208572 | ||
| 44319617 | 106076 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 3 | 1 | 2 | 5.5 | Fc1ccc(-c2[nH]c(-c3ccc(I)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL314181 | 106076 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 441 | 3 | 1 | 2 | 5.5 | Fc1ccc(-c2[nH]c(-c3ccc(I)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL2115192 | 207518 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](C)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](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 56602869 | 126545 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 583 | 9 | 2 | 6 | 6.7 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)Nc2nnn[nH]2)cc1 | nan | ||
| CHEMBL3656283 | 126545 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 583 | 9 | 2 | 6 | 6.7 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)Nc2nnn[nH]2)cc1 | nan | ||
| 56602870 | 126554 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 559 | 10 | 2 | 5 | 5.0 | CC1(C2CCCCC2)N=C(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656292 | 126554 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 559 | 10 | 2 | 5 | 5.0 | CC1(C2CCCCC2)N=C(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL438574 | 212030 | 0 | None | - | 1 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL411289 | 211130 | 0 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 57396138 | 68635 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 11 | 2 | 4 | 7.6 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922916 | 68635 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 572 | 11 | 2 | 4 | 7.6 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1ccc(C(C)(C)C)cc1 | 10.1016/j.bmcl.2011.09.105 | ||
| 53469628 | 109808 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 641 | 9 | 2 | 4 | 8.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238234 | 109808 | 0 | None | - | 0 | Mouse | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 641 | 9 | 2 | 4 | 8.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353132 | 109738 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 557 | 7 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237884 | 109738 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 557 | 7 | 2 | 4 | 6.0 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 58352762 | 109772 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2Cl)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237916 | 109772 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2Cl)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53320525 | 56646 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 643 | 9 | 2 | 7 | 7.7 | CC(c1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644199 | 56646 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 643 | 9 | 2 | 7 | 7.7 | CC(c1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)Nc3nn[nH]n3)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 136055807 | 53215 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 482 | 10 | 2 | 5 | 5.7 | COc1cc(CC/N=C(\N)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL160135 | 53215 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 482 | 10 | 2 | 5 | 5.7 | COc1cc(CC/N=C(\N)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 20674619 | 204719 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 375 | 4 | 0 | 4 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2C)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL88045 | 204719 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 375 | 4 | 0 | 4 | 5.7 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2C)cc1 | 10.1007/s00044-013-0869-9 | ||
| 60170765 | 80965 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccccc2OC(F)(F)F)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159325 | 80965 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccccc2OC(F)(F)F)cc1 | 10.1021/jm300579z | ||
| 16100333 | 82860 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 599 | 11 | 3 | 5 | 6.2 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC(Oc3ccccc3)CC2)cc1 | 10.1021/jm058026u | ||
| CHEMBL218833 | 82860 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 599 | 11 | 3 | 5 | 6.2 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC(Oc3ccccc3)CC2)cc1 | 10.1021/jm058026u | ||
| 9891138 | 204426 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 11 | 1 | 4 | 7.8 | CCCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL86086 | 204426 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 475 | 11 | 1 | 4 | 7.8 | CCCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| 10030697 | 178496 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 178496 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 10053886 | 191168 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 191168 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 44368911 | 119351 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 7 | 2 | 4 | 6.7 | CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL348702 | 119351 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 7 | 2 | 4 | 6.7 | CC(C)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 10992755 | 47170 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 388 | 4 | 3 | 4 | 4.1 | O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(Cl)c1Cl | 10.1021/jm0208572 | ||
| CHEMBL154514 | 47170 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 388 | 4 | 3 | 4 | 4.1 | O=C(N/N=C/c1ccc(CO)c2ccccc12)c1ccc(O)c(Cl)c1Cl | 10.1021/jm0208572 | ||
| 58352834 | 109766 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 5.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237910 | 109766 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 503 | 7 | 2 | 4 | 5.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 53325823 | 56621 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.2 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cn(-c3ccc(OC(F)(F)F)cc3)nc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644174 | 56621 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 511 | 7 | 2 | 7 | 5.2 | O=C(Nc1nn[nH]n1)c1ccc(Cc2cn(-c3ccc(OC(F)(F)F)cc3)nc2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 22496373 | 186919 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | 186919 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | 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 | ||
| 10257629 | 186692 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 186692 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| CHEMBL427644 | 211612 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)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)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)N1)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm990559d | ||||
| 10864629 | 47151 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 557 | 10 | 3 | 6 | 6.0 | O=C(N/N=C/c1ccc(OCCNCc2ccccc2OC(F)(F)F)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL154505 | 47151 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 557 | 10 | 3 | 6 | 6.0 | O=C(N/N=C/c1ccc(OCCNCc2ccccc2OC(F)(F)F)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 22496459 | 186659 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | 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 | 186659 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | 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 | ||
| 58352762 | 109772 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2Cl)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237916 | 109772 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 5.9 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccccc2Cl)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10210150 | 185190 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | 185190 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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 | ||
| 58353104 | 109779 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | CCC[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 | ||
| CHEMBL3237923 | 109779 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 609 | 8 | 2 | 6 | 6.5 | CCC[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 | ||
| 11250000 | 68564 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)/c(=N\c1ccc(OC(F)(F)F)cc1)n2C | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922704 | 68564 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 566 | 9 | 2 | 9 | 4.7 | CCCOc1ccc2c(c1)n(Cc1ccc(C(=O)Nc3nnn[nH]3)cc1)/c(=N\c1ccc(OC(F)(F)F)cc1)n2C | 10.1016/j.bmcl.2011.09.085 | ||
| 16100296 | 201151 | 40 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 10.1021/jm058026u | ||
| CHEMBL62444 | 201151 | 40 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 10.1021/jm058026u | ||
| 141465319 | 164591 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 527 | 8 | 2 | 5 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccs1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227906 | 164591 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 527 | 8 | 2 | 5 | 6.7 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccs1 | 10.1016/j.bmc.2018.02.036 | ||
| 11633206 | 113488 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 423 | 7 | 3 | 6 | 4.0 | CCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326187 | 113488 | 0 | None | - | 0 | Rat | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 423 | 7 | 3 | 6 | 4.0 | CCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 44411059 | 76917 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 345 | 6 | 0 | 3 | 4.5 | O=C(c1ccc(OCCN2CCCC2)cc1)c1cccc2ccccc12 | 10.1016/j.bmcl.2006.02.013 | ||
| CHEMBL208053 | 76917 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 345 | 6 | 0 | 3 | 4.5 | O=C(c1ccc(OCCN2CCCC2)cc1)c1cccc2ccccc12 | 10.1016/j.bmcl.2006.02.013 | ||
| 10393937 | 187804 | 0 | None | - | 0 | Mouse | 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 | 187804 | 0 | None | - | 0 | Mouse | 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 | ||
| CHEMBL437465 | 211975 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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]1CSSC[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)Cc2c[nH]cn2)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 58352925 | 109757 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C3CC3)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237902 | 109757 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 543 | 8 | 2 | 4 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C3CC3)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44418927 | 136034 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 588 | 9 | 3 | 5 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2C#N)CC1 | 10.1021/jm058026u | ||
| CHEMBL373824 | 136034 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 588 | 9 | 3 | 5 | 6.3 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2C#N)CC1 | 10.1021/jm058026u | ||
| 16100300 | 136715 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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/jm058026u | ||
| CHEMBL375167 | 136715 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | 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/jm058026u | ||
| 16100296 | 201151 | 40 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 10.1021/jm058026u | ||
| CHEMBL62444 | 201151 | 40 | None | - | 1 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | 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 | 10.1021/jm058026u | ||
| CHEMBL410553 | 211078 | 0 | None | - | 0 | Rat | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CSSC[C@H](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)Cc2c[nH]cn2)[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](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 145969278 | 164519 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4226770 | 164519 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 571 | 8 | 2 | 4 | 7.8 | Cc1c(-c2cc(Cl)cc(Cl)c2)nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c1-c1cccc2ccccc12 | 10.1016/j.bmc.2018.02.036 | ||
| 10438267 | 56640 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 583 | 8 | 2 | 9 | 4.3 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644193 | 56640 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 583 | 8 | 2 | 9 | 4.3 | CS(=O)(=O)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)n(Cc3ccc(C(=O)Nc4nn[nH]n4)cc3)n2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 127046968 | 139373 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 579 | 9 | 2 | 6 | 6.3 | COc1cc(OC)cc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2C2CCc3cc(C(=O)NCCC(=O)O)ccc32)c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799439 | 139373 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 579 | 9 | 2 | 6 | 6.3 | COc1cc(OC)cc(-c2cc(-c3cc(Cl)cc(Cl)c3)nn2C2CCc3cc(C(=O)NCCC(=O)O)ccc32)c1 | 10.1016/j.bmc.2016.04.053 | ||
| 16100335 | 83073 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 545 | 9 | 3 | 4 | 5.9 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC(=C3CC3)CC2)cc1 | 10.1021/jm058026u | ||
| CHEMBL220184 | 83073 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 545 | 9 | 3 | 4 | 5.9 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2CCC(=C3CC3)CC2)cc1 | 10.1021/jm058026u | ||
| 164621209 | 185670 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 2982 | 98 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4873721 | 185670 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 2982 | 98 | 46 | 42 | -12.5 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 16224191 | 68648 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 567 | 11 | 2 | 5 | 6.9 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922929 | 68648 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 567 | 11 | 2 | 5 | 6.9 | CCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1 | 10.1016/j.bmcl.2011.09.105 | ||
| 44369073 | 119082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 6.4 | O=C(N/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL346226 | 119082 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 514 | 7 | 2 | 5 | 6.4 | O=C(N/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1016/s0960-894x(01)00819-8 | ||
| 22496449 | 173865 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 173865 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 16100332 | 82863 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 549 | 10 | 3 | 4 | 6.0 | CC(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL218838 | 82863 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 549 | 10 | 3 | 4 | 6.0 | CC(C)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 44372650 | 53511 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 344 | 4 | 1 | 2 | 5.6 | COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160401 | 53511 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 344 | 4 | 1 | 2 | 5.6 | COc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44319496 | 204656 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL87611 | 204656 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 127047385 | 139118 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccc2ccccc12 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3797782 | 139118 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 569 | 7 | 2 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1cccc2ccccc12 | 10.1016/j.bmc.2016.04.053 | ||
| 56602802 | 126549 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C | nan | ||
| CHEMBL3656287 | 126549 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 4.5 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C | nan | ||
| 44372471 | 48297 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL155686 | 48297 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 422 | 6 | 1 | 2 | 7.5 | CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10167904 | 173086 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 173086 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 10168348 | 173816 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 173816 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 58353063 | 109755 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237900 | 109755 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 11352811 | 178422 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 6 | 2 | 7 | 5.6 | Cc1cc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2cc1C | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL470955 | 178422 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 514 | 6 | 2 | 7 | 5.6 | Cc1cc2nc(N(Cc3ccc(C(=O)Nc4nnn[nH]4)cc3)[C@H]3CC[C@H](C(C)(C)C)CC3)n(C)c2cc1C | 10.1016/j.bmcl.2008.05.072 | ||
| 44561480 | 178583 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 2 | 7 | 5.1 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(F)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL472154 | 178583 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 504 | 6 | 2 | 7 | 5.1 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(F)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 54765284 | 68626 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | 68626 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | ||
| 122189704 | 122855 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616683 | 122855 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)c(F)c(F)c2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL437648 | 211980 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 11039347 | 45095 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 608 | 7 | 2 | 6 | 5.6 | N#Cc1cc(C(=O)N/N=C/c2ccc(OCC(=O)N3CC=C(c4ccc(Br)cc4)CC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| CHEMBL152691 | 45095 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 608 | 7 | 2 | 6 | 5.6 | N#Cc1cc(C(=O)N/N=C/c2ccc(OCC(=O)N3CC=C(c4ccc(Br)cc4)CC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| 46853081 | 160217 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 10 | 2 | 4 | 8.0 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| CHEMBL4114081 | 160217 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 10 | 2 | 4 | 8.0 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1csc2c(C#N)cc(Cl)cc12 | nan | ||
| 11103530 | 164225 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 542 | 10 | 2 | 5 | 5.1 | CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL421809 | 164225 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 542 | 10 | 2 | 5 | 5.1 | CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL414077 | 211360 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | None | 10.1021/jm010091q | ||||
| 10971714 | 78474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 5 | 2 | 6 | 4.2 | N#Cc1cc(C(=O)N/N=C/c2cn(C(=O)CC3CCCC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| CHEMBL2112908 | 78474 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 5 | 2 | 6 | 4.2 | N#Cc1cc(C(=O)N/N=C/c2cn(C(=O)CC3CCCC3)c3ccccc23)ccc1O | 10.1021/jm0208572 | ||
| 10093802 | 106431 | 3 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL314701 | 106431 | 3 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 423 | 5 | 1 | 3 | 7.3 | Clc1ccc(-c2nc(-c3ccccc3Oc3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 9891138 | 204426 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 11 | 1 | 4 | 7.8 | CCCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL86086 | 204426 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 475 | 11 | 1 | 4 | 7.8 | CCCCOc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)c(OCCCC)c1 | 10.1016/s0960-894x(01)00498-x | ||
| 11570626 | 2513 | 40 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | 2513 | 40 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | 2513 | 40 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | 2513 | 40 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | ||
| 11814151 | 44563 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 617 | 7 | 2 | 5 | 6.4 | O=C(N/N=C/c1ccc(OCC(=O)N2CC=C(c3ccc(Br)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152207 | 44563 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 617 | 7 | 2 | 5 | 6.4 | O=C(N/N=C/c1ccc(OCC(=O)N2CC=C(c3ccc(Br)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 60171061 | 80992 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | 80992 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | ||
| 59091612 | 78472 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 8 | 2 | 6 | 6.0 | O=C(N/N=C/c1ccc(CS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL2112906 | 78472 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 576 | 8 | 2 | 6 | 6.0 | O=C(N/N=C/c1ccc(CS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44372946 | 51479 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158477 | 51479 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1cccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)c1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372888 | 53679 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 330 | 3 | 1 | 1 | 6.1 | Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160550 | 53679 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 330 | 3 | 1 | 1 | 6.1 | Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372671 | 119612 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 388 | 5 | 1 | 3 | 5.8 | O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351104 | 119612 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 388 | 5 | 1 | 3 | 5.8 | O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372478 | 51578 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158548 | 51578 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 296 | 3 | 1 | 1 | 5.5 | CC(C)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372477 | 53918 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 336 | 3 | 1 | 1 | 6.4 | Clc1ccc(-c2cc(C3CCCCC3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160735 | 53918 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 336 | 3 | 1 | 1 | 6.4 | Clc1ccc(-c2cc(C3CCCCC3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 145989050 | 164670 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4229115 | 164670 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL437048 | 211953 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| 11699553 | 80968 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | 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 | 80968 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | 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 | ||
| 71202679 | 109809 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 637 | 7 | 2 | 6 | 7.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238235 | 109809 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 637 | 7 | 2 | 6 | 7.9 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 57882748 | 139433 | 10 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799802 | 139433 | 10 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 56602868 | 126547 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 11 | 2 | 4 | 7.2 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656285 | 126547 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 587 | 11 | 2 | 4 | 7.2 | CC(C)CC1(C)N=C(c2cc(Cl)cc(Cl)c2)C(=O)N1[C@H](CCC(C)(C)C)c1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| 22004897 | 31138 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 313 | 5 | 1 | 2 | 5.3 | C=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140209 | 31138 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 313 | 5 | 1 | 2 | 5.3 | C=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22005133 | 94470 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 355 | 8 | 2 | 3 | 5.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(O)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25421 | 94470 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 355 | 8 | 2 | 3 | 5.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1cccc(O)c1 | 10.1016/s0960-894x(02)00143-9 | ||
| 135437141 | 5118 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 370 | 4 | 3 | 5 | 3.7 | COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc(Cl)c1O | 10.1021/jm000547o | ||
| CHEMBL106058 | 5118 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 370 | 4 | 3 | 5 | 3.7 | COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc(Cl)c1O | 10.1021/jm000547o | ||
| 44319496 | 204656 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL87611 | 204656 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 7.1 | Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 16100316 | 141148 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 583 | 10 | 3 | 4 | 7.1 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm058026u | ||
| CHEMBL385528 | 141148 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 583 | 10 | 3 | 4 | 7.1 | O=C(O)CCNC(=O)c1ccc(CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1 | 10.1021/jm058026u | ||
| 71450867 | 78212 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 9 | 4 | 5 | 4.1 | NC(=O)[C@H](Cc1ccccc1)NCc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL2112329 | 78212 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 500 | 9 | 4 | 5 | 4.1 | NC(=O)[C@H](Cc1ccccc1)NCc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 58353839 | 109812 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 655 | 9 | 2 | 4 | 8.7 | C[C@H](CC(=O)O)NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1 | 10.1021/jm401858f | ||
| CHEMBL3238238 | 109812 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 655 | 9 | 2 | 4 | 8.7 | C[C@H](CC(=O)O)NC(=O)c1ccc([C@@H](CCC(C)(C)C)N2C(=O)C(c3cc(Cl)cc(Cl)c3)=N[C@]23CC[C@@H](C(C)(C)C)CC3)cc1 | 10.1021/jm401858f | ||
| 44369346 | 119258 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 403 | 5 | 2 | 4 | 4.8 | O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL347922 | 119258 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 403 | 5 | 2 | 4 | 4.8 | O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44431012 | 150373 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 7 | 3 | 7 | 6.0 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL395760 | 150373 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 607 | 7 | 3 | 7 | 6.0 | O=C(Nc1nn[nH]n1)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 58353350 | 109767 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237911 | 109767 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(Cl)c2F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 56602805 | 126543 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 5.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| CHEMBL3656281 | 126543 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 541 | 7 | 2 | 6 | 5.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)Nc2nnn[nH]2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| 11757679 | 56625 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | 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 | 56625 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | 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 | ||
| 44369100 | 44716 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 6 | 5.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)Cc1csc2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL152348 | 44716 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 493 | 7 | 3 | 6 | 5.2 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)Cc1csc2ccccc12 | 10.1021/jm0208572 | ||
| 145967741 | 164639 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4228690 | 164639 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 11003592 | 5220 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 4.3 | CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)c(OC)c3)ccc21 | 10.1021/jm000547o | ||
| CHEMBL106577 | 5220 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 387 | 5 | 2 | 5 | 4.3 | CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(O)c(OC)c3)ccc21 | 10.1021/jm000547o | ||
| 22496459 | 186659 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | 186659 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | 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 | ||
| 11238814 | 68559 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 6.3 | CC(C)n1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922699 | 68559 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 604 | 7 | 2 | 8 | 6.3 | CC(C)n1/c(=N/c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2cc(Cl)c(Cl)cc21 | 10.1016/j.bmcl.2011.09.085 | ||
| 11678966 | 80972 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccc(OC(F)(F)F)cc3c2)cc1 | 10.1021/jm300579z | ||
| CHEMBL2159332 | 80972 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.8 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3cc(Cl)cc(Cl)c3)cc2-c2ccc3ccc(OC(F)(F)F)cc3c2)cc1 | 10.1021/jm300579z | ||
| 44373649 | 119641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 481 | 9 | 2 | 5 | 6.4 | COc1cc(/C=C/C(=O)Nc2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL351333 | 119641 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 481 | 9 | 2 | 5 | 6.4 | COc1cc(/C=C/C(=O)Nc2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 9985258 | 178405 | 9 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | 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 | 178405 | 9 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | 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 | ||
| 90655065 | 109816 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 667 | 9 | 4 | 7 | 7.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC2=NNNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238243 | 109816 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 667 | 9 | 4 | 7 | 7.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC2=NNNN2)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL269490 | 209047 | 0 | None | - | 0 | Rat | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](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)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 58352821 | 109771 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237915 | 109771 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44373191 | 119209 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 7.6 | CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL347462 | 119209 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 446 | 9 | 1 | 3 | 7.6 | CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 73355438 | 92151 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 4 | 0 | 3 | 4.7 | C[S+]([O-])c1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL2435136 | 92151 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 376 | 4 | 0 | 3 | 4.7 | C[S+]([O-])c1ccc(C2=NC(c3ccncc3)=C(c3ccc(F)cc3)C2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 11951681 | 96408 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 609 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL265337 | 96408 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 609 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(C2CCCCC2)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 22496445 | 171240 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | 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 | 171240 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | 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 | ||
| 44373924 | 54648 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 9 | 2 | 8 | 4.1 | COC(=O)C(Oc1c(OC)cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1OC)c1ccccc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL161401 | 54648 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 498 | 9 | 2 | 8 | 4.1 | COC(=O)C(Oc1c(OC)cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc1OC)c1ccccc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 44373502 | 169525 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 448 | 9 | 2 | 6 | 4.9 | COc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL444343 | 169525 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 448 | 9 | 2 | 6 | 4.9 | COc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 118711433 | 113485 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 4 | 3 | 6 | 2.8 | O=C(NNC(=O)c1occc1-c1ccc(F)cc1)c1ccc(O)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326183 | 113485 | 0 | None | - | 0 | Rat | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 385 | 4 | 3 | 6 | 2.8 | O=C(NNC(=O)c1occc1-c1ccc(F)cc1)c1ccc(O)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 10145290 | 172652 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | 172652 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | 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 | ||
| 3505 | 2182 | 39 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 5311276 | 2182 | 39 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351772 | 2182 | 39 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1ccc(cc1c1cc([nH]c1c1ccncc1)c1ccc(cc1)Cl)Br | 10.1016/s0960-894x(99)00081-5 | ||
| 10211765 | 170367 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | 170367 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | 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 | ||
| 58353838 | 109794 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238220 | 109794 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 651 | 8 | 2 | 6 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(C(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44561519 | 178608 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 6 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Br)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL472325 | 178608 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 564 | 6 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)[C@H]2CC[C@H](C(C)(C)C)CC2)nc2cc(Br)ccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 11478813 | 68575 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 586 | 8 | 2 | 9 | 5.0 | CCOc1cc(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 | ||
| CHEMBL1922715 | 68575 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 586 | 8 | 2 | 9 | 5.0 | CCOc1cc(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 | ||
| 11284982 | 68623 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 614 | 10 | 2 | 9 | 5.8 | CCCCOc1cc(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 | ||
| CHEMBL1922837 | 68623 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 614 | 10 | 2 | 9 | 5.8 | CCCCOc1cc(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 | ||
| 57391489 | 68627 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | 68627 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | 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 | ||
| 122189572 | 122826 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616583 | 122826 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cc(-c3ccc(C)cc3)ccc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189579 | 122833 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 687 | 11 | 2 | 7 | 8.0 | COc1ccc(OC(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616590 | 122833 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 687 | 11 | 2 | 7 | 8.0 | COc1ccc(OC(F)(F)F)cc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189695 | 122846 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616674 | 122846 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 627 | 9 | 2 | 5 | 7.5 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(F)cc(F)c2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189717 | 122868 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 681 | 12 | 2 | 5 | 9.2 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)cc(Cl)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616696 | 122868 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 681 | 12 | 2 | 5 | 9.2 | CCCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3cc(F)cc(Cl)c3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 11826907 | 47012 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 5.3 | CCC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL154400 | 47012 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 477 | 6 | 2 | 4 | 5.3 | CCC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 70695695 | 78006 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 486 | 8 | 4 | 5 | 4.5 | NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL2111262 | 78006 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 486 | 8 | 4 | 5 | 4.5 | NC(=O)[C@@H](Cc1ccccc1)Nc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 11527207 | 80981 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | 80981 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | ||
| 60170970 | 80988 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | 80988 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | ||
| 11949740 | 156184 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | 156184 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | ||
| 57393253 | 68630 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 636 | 8 | 2 | 8 | 6.0 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922844 | 68630 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 636 | 8 | 2 | 8 | 6.0 | CCCOc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(F)c(C(F)(F)F)c1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 121370791 | 145315 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 10 | 2 | 4 | 8.3 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c(C)sc2c(C#N)cc(Cl)cc12 | nan | ||
| CHEMBL3917291 | 145315 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 578 | 10 | 2 | 4 | 8.3 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1c(C)sc2c(C#N)cc(Cl)cc12 | nan | ||
| 10918616 | 46108 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 544 | 6 | 2 | 5 | 5.0 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL153641 | 46108 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 544 | 6 | 2 | 5 | 5.0 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 44372677 | 53476 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160380 | 53476 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 360 | 4 | 1 | 2 | 6.1 | COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 145968045 | 164394 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4cccc(C(F)(F)F)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4224961 | 164394 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3c(C)c(-c4cccc(C(F)(F)F)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 9902041 | 61512 | 13 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 330 | 3 | 2 | 3 | 4.5 | Nc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL17736 | 61512 | 13 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 330 | 3 | 2 | 3 | 4.5 | Nc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44372688 | 49163 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL156458 | 49163 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372397 | 53465 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 254 | 2 | 1 | 1 | 4.4 | Clc1ccc(-c2ccc(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160372 | 53465 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 254 | 2 | 1 | 1 | 4.4 | Clc1ccc(-c2ccc(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372904 | 53689 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 6.9 | CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160561 | 53689 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 6.9 | CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10066912 | 204442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | CC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL86250 | 204442 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 4 | 1 | 2 | 6.1 | CC(C)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 22005069 | 31210 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 10 | 1 | 2 | 7.1 | CCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140268 | 31210 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 385 | 10 | 1 | 2 | 7.1 | CCCCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22004955 | 93050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL24616 | 93050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22004955 | 93050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL24616 | 93050 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 44342725 | 9875 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 5 | 1 | 2 | 6.1 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL114761 | 9875 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 5 | 1 | 2 | 6.1 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00736-9 | ||
| 44372638 | 50374 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL157529 | 50374 | 0 | None | - | 0 | Mouse | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44418950 | 83035 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 555 | 12 | 2 | 4 | 5.8 | O=C(O)CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccc(Cl)nc2)cc1 | 10.1021/jm058026u | ||
| CHEMBL219882 | 83035 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 555 | 12 | 2 | 4 | 5.8 | O=C(O)CCNC(=O)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccc(Cl)nc2)cc1 | 10.1021/jm058026u | ||
| 44342725 | 9875 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 5 | 1 | 2 | 6.1 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL114761 | 9875 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 341 | 5 | 1 | 2 | 6.1 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 44275085 | 98638 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 6.3 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL280724 | 98638 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 327 | 4 | 1 | 2 | 6.3 | CC(C)=Cc1c(C(C)C)nc(C(C)C)c(O)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 127047254 | 139408 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 509 | 7 | 2 | 5 | 5.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccco1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799656 | 139408 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 509 | 7 | 2 | 5 | 5.9 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccco1 | 10.1016/j.bmc.2016.04.053 | ||
| 45381153 | 109777 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 607 | 7 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 | 10.1021/jm401858f | ||
| CHEMBL3237921 | 109777 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 607 | 7 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 | 10.1021/jm401858f | ||
| 122189700 | 122851 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ncccc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616679 | 122851 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 604 | 10 | 2 | 7 | 6.5 | COc1ncccc1-c1nn(C(C)c2ccc(C(=O)NCCC(=O)O)cc2)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 | 10.1016/j.bmcl.2015.08.015 | ||
| 135470389 | 4874 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 3 | 5 | 3.0 | COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL104735 | 4874 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 3 | 5 | 3.0 | COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 58352940 | 109756 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237901 | 109756 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.2 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cccc(C(F)(F)F)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10369244 | 56622 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 515 | 9 | 2 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(Cc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644175 | 56622 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 515 | 9 | 2 | 5 | 5.6 | O=C(O)CCNC(=O)c1ccc(Cc2cnn(-c3ccc(OC(F)(F)F)cc3)c2C2CCCCC2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 10054432 | 56638 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 6.6 | CN(CCC(=O)O)C(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644191 | 56638 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 607 | 10 | 1 | 6 | 6.6 | CN(CCC(=O)O)C(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 11527170 | 80976 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159336 | 80976 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 9 | 2 | 5 | 7.5 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 10973527 | 49634 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 537 | 9 | 3 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)COc1ccc(OC(F)(F)F)cc1 | 10.1021/jm0208572 | ||
| CHEMBL156828 | 49634 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 537 | 9 | 3 | 7 | 4.7 | COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc1NC(=O)COc1ccc(OC(F)(F)F)cc1 | 10.1021/jm0208572 | ||
| 53324505 | 56645 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 8.2 | CC(c1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644198 | 56645 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 647 | 11 | 2 | 5 | 8.2 | CC(c1ccc(Cl)cc1)c1ccc(-c2cc(-c3ccc(OC(F)(F)F)cc3)nn2Cc2ccc(C(=O)NCCC(=O)O)cc2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 44318934 | 204278 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 6.8 | CCCCc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL84840 | 204278 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 6 | 1 | 2 | 6.8 | CCCCc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL2369127 | 207846 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm960130b | ||||
| 44373463 | 167961 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 6.1 | Cc1c(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc(OCc2ccc(C(C)C)cc2)c1C | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL435445 | 167961 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 450 | 7 | 2 | 4 | 6.1 | Cc1c(/C=N/NC(=O)c2ccc(O)c(Cl)c2)ccc(OCc2ccc(C(C)C)cc2)c1C | 10.1016/s0960-894x(01)00819-8 | ||
| 11057703 | 78122 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 368 | 5 | 2 | 4 | 4.1 | COCc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL2112041 | 78122 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 368 | 5 | 2 | 4 | 4.1 | COCc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 44318950 | 106523 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 457 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315311 | 106523 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 457 | 3 | 1 | 2 | 6.1 | Clc1ccc(-c2nc(-c3ccc(I)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 45381153 | 109777 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 607 | 7 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 | 10.1021/jm401858f | ||
| CHEMBL3237921 | 109777 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 607 | 7 | 2 | 6 | 6.2 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cc(Cl)cc(Cl)c1)C(=O)N2[C@@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)C1CC1 | 10.1021/jm401858f | ||
| 22005107 | 35103 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 7 | 1 | 2 | 6.0 | CCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL143698 | 35103 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 7 | 1 | 2 | 6.0 | CCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22005273 | 31207 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 301 | 4 | 1 | 2 | 4.9 | Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140267 | 31207 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 301 | 4 | 1 | 2 | 4.9 | Cc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 10030697 | 178496 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 178496 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 11950972 | 160685 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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 | 160685 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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 | ||
| 22496477 | 172208 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 172208 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 58352961 | 109741 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237887 | 109741 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1cccc(Cl)c1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 20776097 | 168874 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 168874 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 122189574 | 122828 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616585 | 122828 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 629 | 11 | 2 | 5 | 8.3 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(C(F)(F)F)ccc2OC)c2cccc(-c3ccc(C)cc3)c21 | 10.1016/j.bmcl.2015.08.015 | ||
| 44278169 | 158692 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2699 | 87 | 36 | 34 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 91931637 | 158692 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2699 | 87 | 36 | 34 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| CHEMBL409896 | 158692 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 2699 | 87 | 36 | 34 | -7.0 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||
| 10474631 | 105472 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 375 | 3 | 1 | 2 | 5.6 | Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL312928 | 105472 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 375 | 3 | 1 | 2 | 5.6 | Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 16100331 | 96571 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 606 | 12 | 3 | 5 | 5.3 | CCN(CC)C(=O)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| CHEMBL266715 | 96571 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 606 | 12 | 3 | 5 | 5.3 | CCN(CC)C(=O)C1CCC(N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 | 10.1021/jm058026u | ||
| 44373564 | 51972 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 518 | 10 | 2 | 7 | 5.1 | COc1cc(/C=N/NS(=O)(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL158886 | 51972 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 518 | 10 | 2 | 7 | 5.1 | COc1cc(/C=N/NS(=O)(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 10257629 | 186692 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 186692 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 44372688 | 49163 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL156458 | 49163 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 388 | 6 | 1 | 2 | 6.9 | CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 10282059 | 172653 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 172653 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 11764615 | 187629 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 187629 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 122189575 | 122829 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 644 | 12 | 2 | 5 | 8.6 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616586 | 122829 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 644 | 12 | 2 | 5 | 8.6 | CCCC(c1ccc(C(=O)NCCC(=O)O)cc1)n1cc(-c2cc(C(F)(F)F)ccc2OC)c2ccc(-c3ccc(OC)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 122189701 | 122852 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 609 | 9 | 2 | 5 | 7.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| CHEMBL3616680 | 122852 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 609 | 9 | 2 | 5 | 7.4 | CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2ccc(F)cc2F)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc21 | 10.1016/j.bmcl.2015.08.015 | ||
| 164612237 | 184296 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 3371 | 111 | 53 | 49 | -17.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4852725 | 184296 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 3371 | 111 | 53 | 49 | -17.2 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCCC(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11657413 | 80971 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | 80971 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | ||
| 11592461 | 80984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | 80984 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | ||
| 11490393 | 68572 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 606 | 7 | 2 | 9 | 5.0 | COc1cc(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 | ||
| CHEMBL1922712 | 68572 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 606 | 7 | 2 | 9 | 5.0 | COc1cc(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 | ||
| 11456187 | 68621 | 2 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | 68621 | 2 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | 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 | ||
| 11091831 | 47800 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 5 | 2 | 4 | 4.9 | CC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| CHEMBL155065 | 47800 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 5 | 2 | 4 | 4.9 | CC1CCCCN1C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1021/jm0208572 | ||
| 44369092 | 50245 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 6 | 3 | 4 | 6.2 | O=C(N/N=C/c1ccc(NCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL157380 | 50245 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 6 | 3 | 4 | 6.2 | O=C(N/N=C/c1ccc(NCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 10363819 | 106594 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 403 | 7 | 1 | 3 | 6.6 | CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL315828 | 106594 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 403 | 7 | 1 | 3 | 6.6 | CCCCOc1ccccc1-c1[nH]c(-c2ccc(Cl)cc2)nc1-c1ccncc1 | 10.1016/s0960-894x(01)00498-x | ||
| 12967031 | 111084 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL328126 | 111084 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372948 | 51729 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL158676 | 51729 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 402 | 7 | 1 | 2 | 7.2 | CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 145970930 | 164598 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4ccc(Cl)c(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227964 | 164598 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4ccc(Cl)c(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 11180162 | 68569 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 534 | 6 | 2 | 7 | 4.9 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| CHEMBL1922709 | 68569 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 534 | 6 | 2 | 7 | 4.9 | CCc1cc(C(F)(F)F)cc2c1n(C)/c(=N/c1ccc(C)cc1)n2Cc1ccc(C(=O)Nc2nnn[nH]2)cc1 | 10.1016/j.bmcl.2011.09.085 | ||
| 16100306 | 136148 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 547 | 8 | 3 | 3 | 6.8 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 | 10.1021/jm058026u | ||
| CHEMBL374022 | 136148 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 547 | 8 | 3 | 3 | 6.8 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2)CC1 | 10.1021/jm058026u | ||
| 12967034 | 119519 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL350255 | 119519 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 408 | 3 | 1 | 1 | 6.8 | Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 5169 | 98293 | 102 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 4.7 | Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL278041 | 98293 | 102 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 331 | 3 | 2 | 3 | 4.7 | Oc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 44319591 | 106098 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 349 | 3 | 1 | 2 | 5.6 | Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL314238 | 106098 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 349 | 3 | 1 | 2 | 5.6 | Fc1ccc(-c2[nH]c(-c3ccc(Cl)cc3)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 164624673 | 185409 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3012 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4870133 | 185409 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 3012 | 98 | 46 | 42 | -12.4 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C(Cc1ccccc1)C(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 12967031 | 111084 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL328126 | 111084 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372671 | 119612 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 388 | 5 | 1 | 3 | 5.8 | O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL351104 | 119612 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 388 | 5 | 1 | 3 | 5.8 | O=C(OCc1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 56602806 | 126542 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 545 | 9 | 2 | 4 | 6.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| CHEMBL3656280 | 126542 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 545 | 9 | 2 | 4 | 6.1 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=NC1(C)C | nan | ||
| CHEMBL411785 | 211208 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/jm000453e | ||||
| 22005361 | 99446 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 373 | 8 | 1 | 2 | 6.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL286098 | 99446 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 373 | 8 | 1 | 2 | 6.9 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(02)00143-9 | ||
| 135819146 | 109837 | 7 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL323913 | 109837 | 7 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 359 | 6 | 2 | 3 | 5.8 | CCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 135819133 | 113915 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| CHEMBL333147 | 113915 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 387 | 8 | 2 | 3 | 6.6 | CCCCCc1c(C(C)C)nc(C(C)C)c(C(C)O)c1-c1ccc(F)cc1O | 10.1016/s0960-894x(02)00736-9 | ||
| 15407872 | 59818 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.8 | N#Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL17396 | 59818 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.8 | N#Cc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 58352821 | 109771 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237915 | 109771 | 0 | None | - | 0 | Mouse | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 587 | 8 | 2 | 5 | 6.1 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(OC(F)(F)F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44372405 | 51723 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 314 | 3 | 1 | 1 | 5.6 | Fc1ccc(-c2cc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL158671 | 51723 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 314 | 3 | 1 | 1 | 5.6 | Fc1ccc(-c2cc(-c3ccccc3)[nH]c2-c2ccncc2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 20776096 | 171993 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 171993 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 60170969 | 80987 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 499 | 8 | 2 | 5 | 5.8 | COc1ccc2cc(-c3cc(C(C)(C)C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| CHEMBL2159346 | 80987 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 499 | 8 | 2 | 5 | 5.8 | COc1ccc2cc(-c3cc(C(C)(C)C)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1021/jm300579z | ||
| 9929037 | 53601 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160490 | 53601 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 3 | 1 | 1 | 6.7 | Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353063 | 109755 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237900 | 109755 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 555 | 7 | 2 | 4 | 6.0 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(F)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10097880 | 56566 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | 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 | 56566 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | 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 | ||
| 11068479 | 5166 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 363 | 5 | 2 | 5 | 3.4 | COc1cc(C(=O)N/N=C/c2ccc(N(C)C)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| CHEMBL106294 | 5166 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 363 | 5 | 2 | 5 | 3.4 | COc1cc(C(=O)N/N=C/c2ccc(N(C)C)c3ccccc23)ccc1O | 10.1021/jm000547o | ||
| 11764614 | 188106 | 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 | ||
| CHEMBL504156 | 188106 | 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 | ||
| 58353206 | 109778 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 6.2 | 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 | ||
| CHEMBL3237922 | 109778 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 595 | 7 | 2 | 6 | 6.2 | 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 | ||
| 10053886 | 191168 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 191168 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 44431011 | 96407 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 611 | 9 | 3 | 5 | 6.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| CHEMBL265336 | 96407 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 611 | 9 | 3 | 5 | 6.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2N(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1 | 10.1016/j.bmcl.2006.11.014 | ||
| 135544439 | 108365 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 384 | 3 | 3 | 4 | 3.8 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Br)c1 | 10.1021/jm000547o | ||
| CHEMBL321010 | 108365 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 384 | 3 | 3 | 4 | 3.8 | O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc(O)c(Br)c1 | 10.1021/jm000547o | ||
| 22496459 | 186659 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | 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 | 186659 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | 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 | ||
| 44372870 | 53361 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160287 | 53361 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 466 | 6 | 1 | 2 | 7.6 | CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 56602997 | 126556 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 491 | 9 | 2 | 5 | 3.4 | CC1(C)N=C(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| CHEMBL3656294 | 126556 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 491 | 9 | 2 | 5 | 3.4 | CC1(C)N=C(c2ccc(OC(F)(F)F)cc2)C(=O)N1CCc1ccc(C(=O)NCCC(=O)O)cc1 | nan | ||
| 45381049 | 109800 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 618 | 8 | 2 | 7 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238226 | 109800 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 618 | 8 | 2 | 7 | 6.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cncc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 9985625 | 56630 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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 | 56630 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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 | ||
| 9824797 | 45470 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 445 | 6 | 2 | 4 | 5.9 | CC(C)c1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL153038 | 45470 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 445 | 6 | 2 | 4 | 5.9 | CC(C)c1ccc(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL414490 | 211386 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)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]1CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2c[nH]cn2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N1)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O | 10.1021/jm010091q | ||||
| 127047904 | 139299 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.7 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCC(C)C(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3799017 | 139299 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.7 | COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCC(C)C(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2016.04.053 | ||
| 56602747 | 126550 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 505 | 8 | 2 | 6 | 4.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C | nan | ||
| CHEMBL3656288 | 126550 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 505 | 8 | 2 | 6 | 4.2 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nnn[nH]2)cc1)N1C(=O)C(c2cccc(F)c2)=NC1(C)C | nan | ||
| 58352863 | 109759 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237904 | 109759 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 521 | 7 | 2 | 4 | 5.4 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 44561287 | 188095 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 613 | 9 | 2 | 8 | 8.0 | O=C(Nc1nnn[nH]1)c1ccc(CN(c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c2nc(-c3ccccc3)cs2)cc1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL503919 | 188095 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 613 | 9 | 2 | 8 | 8.0 | O=C(Nc1nnn[nH]1)c1ccc(CN(c2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)c2nc(-c3ccccc3)cs2)cc1 | 10.1016/j.bmcl.2008.05.072 | ||
| 22496445 | 171240 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 171240 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 44373103 | 53858 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 5.7 | CCOC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160690 | 53858 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 386 | 5 | 1 | 3 | 5.7 | CCOC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372856 | 119517 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 1 | 1 | 6.8 | CC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL350237 | 119517 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 370 | 3 | 1 | 1 | 6.8 | CC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 71202712 | 109810 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238236 | 109810 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 657 | 9 | 3 | 5 | 7.3 | CC(C)(C)CC[C@H](c1ccc(C(=O)NC[C@H](O)C(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 22496431 | 169259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 169259 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 186659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | 186659 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | 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 | ||
| 9985625 | 56630 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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 | 56630 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | 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 | ||
| 44319681 | 204384 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 375 | 4 | 0 | 4 | 5.7 | CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2C)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL85713 | 204384 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 375 | 4 | 0 | 4 | 5.7 | CSc1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2C)cc1 | 10.1007/s00044-013-0869-9 | ||
| 11532336 | 113478 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 5 | 3 | 6 | 4.3 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326175 | 113478 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 443 | 5 | 3 | 6 | 4.3 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 10450820 | 49904 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 354 | 4 | 2 | 4 | 4.0 | COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL157064 | 49904 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 354 | 4 | 2 | 4 | 4.0 | COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 | 10.1016/s0960-894x(01)00819-8 | ||
| 3652254 | 123171 | 7 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 7 | 2 | 3 | 4.8 | CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)CC)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL362169 | 123171 | 7 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 364 | 7 | 2 | 3 | 4.8 | CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)CC)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 10133915 | 61440 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 373 | 4 | 1 | 4 | 4.7 | COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| CHEMBL17722 | 61440 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 373 | 4 | 1 | 4 | 4.7 | COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(01)00498-x | ||
| 44373708 | 54995 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 484 | 10 | 3 | 6 | 5.2 | COc1cc(CNNC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL161827 | 54995 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 484 | 10 | 3 | 6 | 5.2 | COc1cc(CNNC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 11754125 | 78541 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 6.3 | CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL2112992 | 78541 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 462 | 7 | 1 | 6 | 6.3 | CCC(CC)C(=O)Nc1sc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c(C)c1C#N | 10.1016/j.bmcl.2005.01.003 | ||
| 11827809 | 46346 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 556 | 9 | 3 | 6 | 4.7 | O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)NC1CCN(Cc2ccccc2)C1 | 10.1021/jm0208572 | ||
| CHEMBL153838 | 46346 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 556 | 9 | 3 | 6 | 4.7 | O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)NC1CCN(Cc2ccccc2)C1 | 10.1021/jm0208572 | ||
| 58352868 | 109753 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.6 | CC(CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237898 | 109753 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 585 | 8 | 2 | 4 | 6.6 | CC(CN1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 127045652 | 139174 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 6.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| CHEMBL3798135 | 139174 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 6.4 | O=C(O)CCNC(=O)c1ccc2c(c1)CCC2n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc(F)cc1 | 10.1016/j.bmc.2016.04.053 | ||
| 11617576 | 113480 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 367 | 4 | 3 | 6 | 2.6 | O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326178 | 113480 | 0 | None | - | 0 | Rat | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 367 | 4 | 3 | 6 | 2.6 | O=C(NNC(=O)c1occc1-c1ccccc1)c1ccc(O)c([N+](=O)[O-])c1 | 10.1016/j.bmcl.2014.07.025 | ||
| 9916972 | 174457 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 174457 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 188112 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 188112 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 10144347 | 192929 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 192929 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 164628536 | 185883 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4876736 | 185883 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 2971 | 96 | 46 | 42 | -12.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](O)Cc1ccccc1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 11432140 | 175555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 506 | 7 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C3CCCCC3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL459208 | 175555 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 506 | 7 | 2 | 7 | 5.7 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(C3CCCCC3)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 44561556 | 188690 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | 188690 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | 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 | ||
| 57399594 | 68650 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 6.7 | CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2011.09.105 | ||
| CHEMBL1922930 | 68650 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 585 | 11 | 2 | 5 | 6.7 | CCC[C@@H](Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)c1cc2cc(Cl)ccc2n1-c1cccc(C(F)(F)F)n1 | 10.1016/j.bmcl.2011.09.105 | ||
| 10929597 | 49721 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.9 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL156904 | 49721 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 540 | 7 | 2 | 5 | 4.9 | O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 60171062 | 80993 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | 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 | 80993 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | 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 | ||
| 11353908 | 68624 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 600 | 8 | 2 | 9 | 5.4 | CC(C)Oc1cc(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 | ||
| CHEMBL1922838 | 68624 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 600 | 8 | 2 | 9 | 5.4 | CC(C)Oc1cc(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 | ||
| 44372638 | 50374 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL157529 | 50374 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 332 | 3 | 1 | 1 | 5.7 | Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372454 | 119041 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 4 | 1 | 3 | 4.6 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL345863 | 119041 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 326 | 4 | 1 | 3 | 4.6 | CCOC(=O)c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 44372406 | 119311 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 1 | 5.9 | Fc1ccc(-c2cc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL348401 | 119311 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 1 | 5.9 | Fc1ccc(-c2cc(C3CCCCC3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 58353323 | 109795 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238221 | 109795 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 601 | 8 | 2 | 6 | 6.4 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 145967685 | 164558 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| CHEMBL4227364 | 164558 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 601 | 9 | 2 | 5 | 7.8 | COc1ccc2cc(-c3c(C)c(-c4cc(Cl)cc(Cl)c4)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1 | 10.1016/j.bmc.2018.02.036 | ||
| 11352703 | 178320 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 7 | 2 | 8 | 4.6 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(OC(F)(F)F)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL469903 | 178320 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 508 | 7 | 2 | 8 | 4.6 | Cn1c(N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2ccc(OC(F)(F)F)cc2)nc2ccccc21 | 10.1016/j.bmcl.2008.05.072 | ||
| 44372376 | 164832 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 358 | 4 | 2 | 2 | 5.2 | O=C(O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| CHEMBL423781 | 164832 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 358 | 4 | 2 | 2 | 5.2 | O=C(O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0801-3 | ||
| 10246001 | 162954 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 329 | 3 | 1 | 2 | 5.3 | Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL420232 | 162954 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 329 | 3 | 1 | 2 | 5.3 | Cc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 9886904 | 204625 | 17 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccccc3Br)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL87365 | 204625 | 17 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 5.7 | Fc1ccc(-c2[nH]c(-c3ccccc3Br)nc2-c2ccncc2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 11049295 | 46684 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 493 | 7 | 3 | 7 | 4.8 | COc1ccc2oc(C(=O)Nc3ccc(/C=N/NC(=O)c4ccc(O)c(Cl)c4)c(OC)c3)cc2c1 | 10.1021/jm0208572 | ||
| CHEMBL154125 | 46684 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 493 | 7 | 3 | 7 | 4.8 | COc1ccc2oc(C(=O)Nc3ccc(/C=N/NC(=O)c4ccc(O)c(Cl)c4)c(OC)c3)cc2c1 | 10.1021/jm0208572 | ||
| 18926938 | 168042 | 24 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 331 | 6 | 1 | 3 | 4.8 | COCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL436011 | 168042 | 24 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 331 | 6 | 1 | 3 | 4.8 | COCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22005050 | 94229 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1F | 10.1016/s0960-894x(02)00143-9 | ||
| CHEMBL25255 | 94229 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 357 | 8 | 1 | 2 | 6.4 | CCCCCc1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccccc1F | 10.1016/s0960-894x(02)00143-9 | ||
| 44372904 | 53689 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 6.9 | CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160561 | 53689 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 388 | 5 | 1 | 2 | 6.9 | CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 9985258 | 178405 | 9 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 178405 | 9 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 10393937 | 187804 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 187804 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 44389632 | 62940 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 463 | 7 | 1 | 4 | 6.3 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)Cc1ccc(Cl)cc1Cl)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| CHEMBL179181 | 62940 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 463 | 7 | 1 | 4 | 6.3 | CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(N(C)Cc1ccc(Cl)cc1Cl)C2 | 10.1016/j.bmcl.2005.01.003 | ||
| 9985258 | 178405 | 9 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 178405 | 9 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 22496557 | 192658 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 192658 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 22496457 | 171990 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 171990 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 118711432 | 113484 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 397 | 5 | 3 | 7 | 2.6 | COc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326182 | 113484 | 0 | None | - | 0 | Rat | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 397 | 5 | 3 | 7 | 2.6 | COc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 21704177 | 204718 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 362 | 4 | 0 | 4 | 5.9 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1 | 10.1007/s00044-013-0869-9 | ||
| CHEMBL88044 | 204718 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 362 | 4 | 0 | 4 | 5.9 | CSc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)cc1 | 10.1007/s00044-013-0869-9 | ||
| 58353232 | 109743 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237889 | 109743 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 523 | 7 | 2 | 4 | 5.3 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(Cl)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 44373554 | 53367 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 463 | 9 | 3 | 7 | 4.5 | COc1cc(/C=N/NC(=O)c2ccc(O)c(N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| CHEMBL160291 | 53367 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 463 | 9 | 3 | 7 | 4.5 | COc1cc(/C=N/NC(=O)c2ccc(O)c(N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1 | 10.1016/s0960-894x(01)00819-8 | ||
| 58352952 | 109763 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(Cl)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237908 | 109763 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(Cl)c(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 10008376 | 56628 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| CHEMBL1644181 | 56628 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 577 | 9 | 2 | 5 | 6.7 | O=C(O)CCNC(=O)c1ccc(Cn2nc(-c3ccc(OC(F)(F)F)cc3)cc2-c2cc(Cl)cc(Cl)c2)cc1 | 10.1016/j.bmcl.2010.11.074 | ||
| 164627630 | 185758 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3033 | 97 | 46 | 42 | -11.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4875003 | 185758 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 3033 | 97 | 46 | 42 | -11.7 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc2ccccc2c1)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 12967033 | 53784 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160638 | 53784 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 382 | 3 | 1 | 1 | 6.9 | Fc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| 11238149 | 188332 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 7 | 2 | 7 | 6.4 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2nc3ccccc3n2-c2ccccc2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| CHEMBL507829 | 188332 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 548 | 7 | 2 | 7 | 6.4 | CC(C)(C)[C@H]1CC[C@H](N(Cc2ccc(C(=O)Nc3nnn[nH]3)cc2)c2nc3ccccc3n2-c2ccccc2)CC1 | 10.1016/j.bmcl.2008.05.072 | ||
| 68862222 | 113472 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 398 | 4 | 3 | 4 | 4.4 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326165 | 113472 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 398 | 4 | 3 | 4 | 4.4 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 68862226 | 113479 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 428 | 5 | 3 | 5 | 4.4 | COc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326176 | 113479 | 0 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 428 | 5 | 3 | 5 | 4.4 | COc1cc(C(=O)NNC(=O)c2occ(-c3ccccc3)c2-c2ccccc2)ccc1O | 10.1016/j.bmcl.2014.07.025 | ||
| 22004908 | 31258 | 22 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 345 | 5 | 1 | 4 | 4.4 | COC(=O)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| CHEMBL140317 | 31258 | 22 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 345 | 5 | 1 | 4 | 4.4 | COC(=O)c1c(C(C)C)nc(C(C)C)c(CO)c1-c1ccc(F)cc1 | 10.1016/s0960-894x(01)00766-1 | ||
| 22496445 | 171240 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 171240 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 90655064 | 109802 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3238228 | 109802 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 652 | 8 | 2 | 7 | 6.7 | CC(C)(C)CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2cnccc2C(F)(F)F)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 58353013 | 109750 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| CHEMBL3237895 | 109750 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 571 | 7 | 2 | 4 | 6.5 | C[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2cc(Cl)cc(Cl)c2)=N[C@]12CC[C@@H](C(C)(C)C)CC2 | 10.1021/jm401858f | ||
| 22496384 | 186564 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 186564 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 16100334 | 82961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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/jm058026u | ||
| CHEMBL219384 | 82961 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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/jm058026u | ||
| 11731304 | 44954 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 546 | 7 | 2 | 5 | 5.9 | O=C(N/N=C/c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| CHEMBL152579 | 44954 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 546 | 7 | 2 | 5 | 5.9 | O=C(N/N=C/c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 | 10.1021/jm0208572 | ||
| 58353489 | 109742 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| CHEMBL3237888 | 109742 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 557 | 7 | 2 | 4 | 5.7 | CC(C)(C)[C@H]1CC[C@]2(CC1)N=C(c1ccc(C(F)(F)F)cc1)C(=O)N2Cc1ccc(C(=O)NCCC(=O)O)cc1 | 10.1021/jm401858f | ||
| 68860750 | 113489 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 8 | 3 | 6 | 4.4 | CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326188 | 113489 | 1 | None | - | 0 | Rat | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 437 | 8 | 3 | 6 | 4.4 | CCCCCc1ccc(-c2ccoc2C(=O)NNC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 118711430 | 113473 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 4 | 3 | 5 | 3.8 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)nc1 | 10.1016/j.bmcl.2014.07.025 | ||
| CHEMBL3326170 | 113473 | 0 | None | - | 0 | Rat | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 399 | 4 | 3 | 5 | 3.8 | O=C(NNC(=O)c1occ(-c2ccccc2)c1-c1ccccc1)c1ccc(O)nc1 | 10.1016/j.bmcl.2014.07.025 | ||
| 22496448 | 186738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | 186738 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | 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 | ||
| 164609271 | 183846 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 3357 | 110 | 52 | 49 | -17.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)CN(CCC(=O)O)C(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| CHEMBL4846293 | 183846 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 3357 | 110 | 52 | 49 | -17.6 | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)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)CN(CCC(=O)O)C(=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](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c02069 | ||
| 20775916 | 186506 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | 186506 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | 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 | ||
| 12967032 | 53355 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL160281 | 53355 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 348 | 3 | 1 | 1 | 6.2 | Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1 | 10.1016/s0960-894x(99)00081-5 | ||
| CHEMBL437095 | 211958 | 0 | None | - | 1 | Rat | 6.4 | pKd | = | 6.4 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL2369990 | 208021 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=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](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL438218 | 212007 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL438574 | 212030 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL409611 | 211024 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@@H](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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[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](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(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](CCS)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C=O)[C@H](C)O)C(C)C | 10.1021/jm960800d | ||||
| CHEMBL429198 | 211764 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL442499 | 212166 | 0 | None | - | 1 | Rat | 6.3 | pKd | = | 6.3 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL268636 | 209017 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL441209 | 212139 | 0 | None | - | 1 | Rat | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | None | None | None | CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O | 10.1016/0960-894X(95)00307-F | ||||
| CHEMBL267885 | 208991 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL412352 | 211238 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](N)Cc1c[nH]cn1)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL427744 | 211622 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL439271 | 212081 | 0 | None | - | 1 | Rat | 6.2 | pKd | = | 6.2 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL427744 | 211622 | 0 | None | - | 1 | Rat | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)O)[C@H](C)O | 10.1021/jm960800d | ||||
| CHEMBL411289 | 211130 | 0 | None | - | 1 | Rat | 6.1 | pKd | = | 6.1 | Binding | ChEMBL | None | None | None | CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)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](CCC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CO)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(N)=O)[C@H](C)O | 10.1021/jm960800d | ||||
| 60152349 | 89703 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 476 | 10 | 3 | 7 | 3.8 | CCCC(Nc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381823 | 89703 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 476 | 10 | 3 | 7 | 3.8 | CCCC(Nc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71059951 | 129387 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)cn1 | nan | ||
| CHEMBL3675841 | 129387 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)cn1 | nan | ||
| 71059820 | 129446 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 503 | 9 | 3 | 4 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3F)cc2)cn1 | nan | ||
| CHEMBL3675899 | 129446 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 503 | 9 | 3 | 4 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3F)cc2)cn1 | nan | ||
| 57391684 | 69090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | CCCC(Oc1cnn(-c2cccc(Cl)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933356 | 69090 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | CCCC(Oc1cnn(-c2cccc(Cl)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 44304965 | 162687 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 523 | 9 | 3 | 4 | 5.7 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cnc3ccccc3c2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL418468 | 162687 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 523 | 9 | 3 | 4 | 5.7 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2cnc3ccccc3c2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 44304524 | 201250 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 10 | 3 | 3 | 6.8 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62892 | 201250 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 548 | 10 | 3 | 3 | 6.8 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 68186290 | 89710 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 477 | 10 | 2 | 7 | 3.8 | CCCC(Oc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381830 | 89710 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 477 | 10 | 2 | 7 | 3.8 | CCCC(Oc1cnc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 60152737 | 89718 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | CCCC(Oc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381838 | 89718 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | CCCC(Oc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 60151793 | 89725 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 489 | 10 | 2 | 5 | 5.3 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)c(C)n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381845 | 89725 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 489 | 10 | 2 | 5 | 5.3 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)c(C)n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 57402151 | 69086 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1cnn(-c2cccc(C)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933352 | 69086 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1cnn(-c2cccc(C)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 44304982 | 201149 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 566 | 10 | 4 | 5 | 5.6 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCC(O)C(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62432 | 201149 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 566 | 10 | 4 | 5 | 5.6 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCC(O)C(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 57400348 | 69095 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 476 | 10 | 2 | 6 | 4.4 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)cn2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933361 | 69095 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 476 | 10 | 2 | 6 | 4.4 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)cn2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 60152601 | 89707 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 502 | 10 | 3 | 5 | 5.7 | CCCC(Nc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381827 | 89707 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 502 | 10 | 3 | 5 | 5.7 | CCCC(Nc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 57391686 | 69098 | 0 | None | 44 | 3 | Human | 7.9 | pKi | = | 7.9 | 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 | 69098 | 0 | None | 44 | 3 | Human | 7.9 | pKi | = | 7.9 | 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 | ||
| 86766115 | 130009 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3680822 | 130009 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 10829406 | 42478 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 3.9 | O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)c(Cl)c1 | 10.1021/jm9810304 | ||
| CHEMBL150172 | 42478 | 0 | None | - | 1 | Human | 4.9 | pKi | = | 4.9 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 3.9 | O=C(CSc1nc2ccccc2[nH]1)c1ccc(O)c(Cl)c1 | 10.1021/jm9810304 | ||
| 71060079 | 129445 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 569 | 10 | 3 | 5 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3OC(F)(F)F)cc2)cn1 | nan | ||
| CHEMBL3675898 | 129445 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 569 | 10 | 3 | 5 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3OC(F)(F)F)cc2)cn1 | nan | ||
| 57396928 | 69094 | 0 | None | 11 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | 69094 | 0 | None | 11 | 3 | Human | 6.9 | pKi | = | 6.9 | 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 | ||
| 60151935 | 89716 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 9 | 2 | 5 | 4.6 | O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CC2)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381836 | 89716 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 473 | 9 | 2 | 5 | 4.6 | O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CC2)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71060058 | 129398 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 4 | 6.2 | Cc1cccc(-c2ccc(C(=O)NCCC(=O)O)nc2)c1CNc1ccc(-c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL3675852 | 129398 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 499 | 9 | 3 | 4 | 6.2 | Cc1cccc(-c2ccc(C(=O)NCCC(=O)O)nc2)c1CNc1ccc(-c2ccc(Cl)cc2)cc1 | nan | ||
| 71059850 | 129422 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 519 | 8 | 3 | 4 | 5.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| CHEMBL3675875 | 129422 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 519 | 8 | 3 | 4 | 5.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| 71239397 | 122974 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 8 | 3 | 4 | 5.5 | Cc1cc2cc(F)ccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617569 | 122974 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 463 | 8 | 3 | 4 | 5.5 | Cc1cc2cc(F)ccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1 | 10.1016/j.bmcl.2015.07.092 | ||
| 60151939 | 89728 | 32 | None | 223 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381848 | 89728 | 32 | None | 223 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 86766099 | 129375 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675830 | 129375 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)c(Cl)c2)cn1 | nan | ||
| 86674271 | 129408 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675861 | 129408 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| 60151937 | 89717 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 461 | 9 | 2 | 5 | 4.6 | CCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381837 | 89717 | 0 | None | - | 1 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 461 | 9 | 2 | 5 | 4.6 | CCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 57391685 | 69096 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 476 | 10 | 2 | 6 | 4.4 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)nc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933362 | 69096 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 476 | 10 | 2 | 6 | 4.4 | CCCC(Oc1cnn(-c2ccc(C(F)(F)F)nc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57396925 | 69085 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1cnn(-c2ccccc2C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933351 | 69085 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1cnn(-c2ccccc2C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 71060099 | 129357 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 533 | 9 | 2 | 4 | 6.6 | CN(Cc1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)O)nc1)c1ccc(-c2ccc(Cl)cc2)cc1 | nan | ||
| CHEMBL3675813 | 129357 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 533 | 9 | 2 | 4 | 6.6 | CN(Cc1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)O)nc1)c1ccc(-c2ccc(Cl)cc2)cc1 | nan | ||
| 57388936 | 122976 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 5.0 | CC(C)C[C@H](Nc1ccc(C(=O)NCCC(=O)O)cn1)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617571 | 122976 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 5.0 | CC(C)C[C@H](Nc1ccc(C(=O)NCCC(=O)O)cn1)c1cnc(-c2ccc(C(F)(F)F)cc2)nc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 71060112 | 130012 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3680825 | 130012 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)cn1 | nan | ||
| 86766105 | 129389 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2)cn1 | nan | ||
| CHEMBL3675843 | 129389 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)c(C(F)(F)F)c2)cn1 | nan | ||
| 86766104 | 129382 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 655 | 9 | 3 | 4 | 8.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675837 | 129382 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 655 | 9 | 3 | 4 | 8.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)c(Cl)c2)cn1 | nan | ||
| 71060104 | 130016 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 517 | 9 | 3 | 4 | 6.3 | Cc1cc(F)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3680829 | 130016 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 517 | 9 | 3 | 4 | 6.3 | Cc1cc(F)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71059986 | 129384 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675839 | 129384 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 | nan | ||
| 60152600 | 89701 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 474 | 10 | 3 | 5 | 5.0 | CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381821 | 89701 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 474 | 10 | 3 | 5 | 5.0 | CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 60152081 | 89729 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381849 | 89729 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCC[C@@H](Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 10552082 | 96426 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 464 | 8 | 3 | 8 | 4.3 | COC(=O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(O)c4)nc3c2)c1 | 10.1021/jm9810304 | ||
| CHEMBL265552 | 96426 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 464 | 8 | 3 | 8 | 4.3 | COC(=O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(O)c4)nc3c2)c1 | 10.1021/jm9810304 | ||
| 71472272 | 122977 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 635 | 9 | 3 | 4 | 8.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617572 | 122977 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 635 | 9 | 3 | 4 | 8.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | 10.1016/j.bmcl.2015.07.092 | ||
| 57393426 | 69099 | 0 | None | 30 | 3 | Human | 7.8 | pKi | = | 7.8 | 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 | 69099 | 0 | None | 30 | 3 | Human | 7.8 | pKi | = | 7.8 | 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 | ||
| 71472272 | 122977 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 635 | 9 | 3 | 4 | 8.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | nan | ||
| CHEMBL3617572 | 122977 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 635 | 9 | 3 | 4 | 8.2 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | nan | ||
| 60152477 | 89702 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 10 | 3 | 6 | 4.4 | CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381822 | 89702 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 475 | 10 | 3 | 6 | 4.4 | CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71614522 | 89714 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 489 | 8 | 2 | 5 | 5.3 | CC(C)(C)C(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381834 | 89714 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 489 | 8 | 2 | 5 | 5.3 | CC(C)(C)C(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 60152880 | 89720 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 10 | 2 | 5 | 4.1 | CCCC(Oc1ccc(-n2cc(F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381840 | 89720 | 0 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 425 | 10 | 2 | 5 | 4.1 | CCCC(Oc1ccc(-n2cc(F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71060139 | 130030 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 10 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| CHEMBL3680843 | 130030 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 549 | 10 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| 71060120 | 129383 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675838 | 129383 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 71060059 | 130013 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 533 | 9 | 3 | 4 | 6.8 | Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3680826 | 130013 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 533 | 9 | 3 | 4 | 6.8 | Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71059985 | 129400 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675854 | 129400 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 10716305 | 164985 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 406 | 7 | 3 | 6 | 4.5 | O=C(CSc1nc2cc(OCc3ccccc3)ccc2[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| CHEMBL424134 | 164985 | 0 | None | - | 1 | Human | 4.8 | pKi | = | 4.8 | Binding | ChEMBL | 406 | 7 | 3 | 6 | 4.5 | O=C(CSc1nc2cc(OCc3ccccc3)ccc2[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| 86766113 | 129439 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 598 | 9 | 3 | 5 | 6.5 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1cc(F)cc(C(F)(F)F)c1 | nan | ||
| CHEMBL3675892 | 129439 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 598 | 9 | 3 | 5 | 6.5 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1cc(F)cc(C(F)(F)F)c1 | nan | ||
| 71059622 | 129343 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 485 | 9 | 3 | 4 | 5.9 | O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675798 | 129343 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 485 | 9 | 3 | 4 | 5.9 | O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 57393425 | 69097 | 0 | None | 54 | 3 | Human | 7.7 | pKi | = | 7.7 | 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 | 69097 | 0 | None | 54 | 3 | Human | 7.7 | pKi | = | 7.7 | 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 | ||
| 86766096 | 129369 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.6 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3675825 | 129369 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.6 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71060023 | 129360 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675816 | 129360 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 71060056 | 129419 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(F)c2)cn1 | nan | ||
| CHEMBL3675872 | 129419 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(F)c2)cn1 | nan | ||
| 71059831 | 129407 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2c(Cl)cc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3675860 | 129407 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2c(Cl)cc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71059925 | 129386 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675840 | 129386 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)c(Cl)c2)cn1 | nan | ||
| 60152878 | 89719 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1ccc(-n2cc(C)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381839 | 89719 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1ccc(-n2cc(C)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71060029 | 129393 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.5 | COc1ccc(-c2ccc(C(=O)NCCC(=O)O)nc2)c(CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)c1 | nan | ||
| CHEMBL3675847 | 129393 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.5 | COc1ccc(-c2ccc(C(=O)NCCC(=O)O)nc2)c(CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)c1 | nan | ||
| 57396927 | 69093 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 4.0 | CCCC(Oc1cnn(-c2ccc(OC)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933359 | 69093 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 4.0 | CCCC(Oc1cnn(-c2ccc(OC)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 71059930 | 130023 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 511 | 10 | 3 | 4 | 6.5 | CC(C)c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| CHEMBL3680836 | 130023 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 511 | 10 | 3 | 4 | 6.5 | CC(C)c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| 122190363 | 122980 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617575 | 122980 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 86674265 | 129405 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675859 | 129405 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)c2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 86766103 | 129381 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)cc2)cn1 | nan | ||
| CHEMBL3675836 | 129381 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)cc2)cn1 | nan | ||
| 71060089 | 130026 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3680839 | 130026 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 60152219 | 89730 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 489 | 10 | 2 | 5 | 5.3 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381850 | 89730 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 489 | 10 | 2 | 5 | 5.3 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 11793430 | 38778 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 368 | 4 | 3 | 5 | 4.3 | O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| CHEMBL146839 | 38778 | 0 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 368 | 4 | 3 | 5 | 4.3 | O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| 3515 | 2803 | 9 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 300 | 4 | 3 | 5 | 2.9 | O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2 | 10.1021/jm9810304 | ||
| 4206177 | 2803 | 9 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 300 | 4 | 3 | 5 | 2.9 | O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2 | 10.1021/jm9810304 | ||
| CHEMBL346451 | 2803 | 9 | None | - | 1 | Human | 4.7 | pKi | = | 4.7 | Binding | ChEMBL | 300 | 4 | 3 | 5 | 2.9 | O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2 | 10.1021/jm9810304 | ||
| 86766098 | 129372 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675828 | 129372 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)c(Cl)c2)cn1 | nan | ||
| 86674274 | 129425 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 607 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675878 | 129425 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 607 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 86766094 | 129366 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675822 | 129366 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 | nan | ||
| 71060095 | 129452 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 603 | 10 | 3 | 5 | 7.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(OC(F)(F)F)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675905 | 129452 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 603 | 10 | 3 | 5 | 7.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(OC(F)(F)F)cc3)c(Cl)c2)cn1 | nan | ||
| 57391683 | 69089 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 11 | 2 | 5 | 4.6 | CCCC(Oc1cnn(-c2ccc(CC)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933355 | 69089 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 435 | 11 | 2 | 5 | 4.6 | CCCC(Oc1cnn(-c2ccc(CC)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57403898 | 69092 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 4.0 | CCCC(Oc1cnn(-c2cccc(OC)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933358 | 69092 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 4.0 | CCCC(Oc1cnn(-c2cccc(OC)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 57388856 | 122975 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 500 | 10 | 3 | 5 | 5.6 | CC(C)C[C@@H](Nc1cnc(C(=O)NCCC(=O)O)nc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617570 | 122975 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 500 | 10 | 3 | 5 | 5.6 | CC(C)C[C@@H](Nc1cnc(C(=O)NCCC(=O)O)nc1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 86674251 | 129370 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 639 | 9 | 3 | 4 | 8.1 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675826 | 129370 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 639 | 9 | 3 | 4 | 8.1 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 71059981 | 129347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675803 | 129347 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 86766101 | 129378 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 655 | 9 | 3 | 4 | 8.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675833 | 129378 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 655 | 9 | 3 | 4 | 8.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 | nan | ||
| 71060088 | 129396 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3F)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675850 | 129396 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3F)c(Cl)c2)cn1 | nan | ||
| 71059950 | 129426 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675879 | 129426 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| 60152733 | 89708 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1ccc(-n2cnc(C(F)(F)F)c2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381828 | 89708 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1ccc(-n2cnc(C(F)(F)F)c2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 86766100 | 129377 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3F)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675832 | 129377 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3F)c(Cl)c2)cn1 | nan | ||
| 86766110 | 129430 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 623 | 9 | 3 | 4 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675883 | 129430 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 623 | 9 | 3 | 4 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3cccc(C(F)(F)F)c3Cl)c(Cl)c2)cn1 | nan | ||
| 71059855 | 129373 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | nan | ||
| CHEMBL3675829 | 129373 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1Cl | nan | ||
| 71060044 | 129431 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 589 | 9 | 3 | 4 | 7.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675884 | 129431 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 589 | 9 | 3 | 4 | 7.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(Cl)c2)cn1 | nan | ||
| 68178613 | 89709 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 476 | 10 | 2 | 6 | 4.4 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381829 | 89709 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 476 | 10 | 2 | 6 | 4.4 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71059810 | 130020 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 517 | 9 | 3 | 4 | 6.6 | CC(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)O)nc1 | nan | ||
| CHEMBL3680833 | 130020 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 517 | 9 | 3 | 4 | 6.6 | CC(Nc1ccc(-c2ccc(F)cc2)cc1)c1ccc(Cl)cc1-c1ccc(C(=O)NCCC(=O)O)nc1 | nan | ||
| 86674270 | 129411 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675864 | 129411 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| 71060025 | 129412 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL3675865 | 129412 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 | nan | ||
| 71060108 | 129410 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3675863 | 129410 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(Cl)ccc1-c1ccc(NCc2cc(Cl)c(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71059696 | 130031 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 551 | 10 | 3 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(C3CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| CHEMBL3680844 | 130031 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 551 | 10 | 3 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(C3CCCCC3)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| 86766097 | 129371 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 655 | 9 | 3 | 4 | 8.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675827 | 129371 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 655 | 9 | 3 | 4 | 8.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 71059685 | 129361 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 7.2 | Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3675817 | 129361 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 567 | 9 | 3 | 4 | 7.2 | Cc1cc(Cl)ccc1-c1ccc(NCc2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71059940 | 129427 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 573 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3F)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675880 | 129427 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 573 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3F)c(Cl)c2)cn1 | nan | ||
| 122190361 | 122971 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 11 | 3 | 5 | 5.7 | CCC[C@H](Nc1ccc(-n2cc(-c3ccccc3)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617566 | 122971 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 11 | 3 | 5 | 5.7 | CCC[C@H](Nc1ccc(-n2cc(-c3ccccc3)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 44304787 | 160854 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 568 | 10 | 3 | 4 | 6.6 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCC(F)C(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL412661 | 160854 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 568 | 10 | 3 | 4 | 6.6 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCC(F)C(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 44304570 | 201210 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 10 | 3 | 3 | 5.7 | CCc1ccc(NC(=O)C(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C(C)(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62738 | 201210 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 500 | 10 | 3 | 3 | 5.7 | CCc1ccc(NC(=O)C(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C(C)(C)C)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71059819 | 129362 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675818 | 129362 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)cc3Cl)cc2)cn1 | nan | ||
| 86766109 | 129429 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 623 | 9 | 3 | 4 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675882 | 129429 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 623 | 9 | 3 | 4 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 71060084 | 129380 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3F)cc2)cn1 | nan | ||
| CHEMBL3675835 | 129380 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3F)cc2)cn1 | nan | ||
| 86766102 | 129379 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 639 | 9 | 3 | 4 | 8.1 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675834 | 129379 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 639 | 9 | 3 | 4 | 8.1 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(Cl)c2)cn1 | nan | ||
| 71060031 | 130028 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 533 | 9 | 3 | 4 | 6.8 | Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)cc1 | nan | ||
| CHEMBL3680841 | 130028 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 533 | 9 | 3 | 4 | 6.8 | Cc1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)cc1 | nan | ||
| 71059915 | 130029 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 595 | 10 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3680842 | 130029 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 595 | 10 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(-c3ccccc3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 71059856 | 130015 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)cc2)cn1 | nan | ||
| CHEMBL3680828 | 130015 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)cc2)cn1 | nan | ||
| 71059624 | 129409 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(NCc2c(Cl)cc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL3675862 | 129409 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 601 | 9 | 3 | 4 | 7.9 | Cc1cc(NCc2c(Cl)cc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 | nan | ||
| 71059903 | 129367 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675823 | 129367 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| 71059924 | 130011 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 3 | 4 | 6.3 | Cc1cc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)ccc1F | nan | ||
| CHEMBL3680824 | 130011 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 517 | 9 | 3 | 4 | 6.3 | Cc1cc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)ccc1F | nan | ||
| 71060096 | 130008 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.5 | COc1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)c(Cl)c1 | nan | ||
| CHEMBL3680821 | 130008 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 549 | 10 | 3 | 5 | 6.5 | COc1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)c(Cl)c1 | nan | ||
| 86766091 | 129363 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675819 | 129363 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)cn1 | nan | ||
| 71059914 | 129413 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675866 | 129413 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.6 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 71060147 | 129449 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(F)c3)cc2)cn1 | nan | ||
| CHEMBL3675902 | 129449 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(F)c3)cc2)cn1 | nan | ||
| 44304771 | 201647 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 502 | 10 | 4 | 4 | 4.6 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(CO)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL64955 | 201647 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 502 | 10 | 4 | 4 | 4.6 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(CO)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71059934 | 129451 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 4 | 7.0 | Cc1cc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)ccc1F | nan | ||
| CHEMBL3675904 | 129451 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 551 | 9 | 3 | 4 | 7.0 | Cc1cc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)ccc1F | nan | ||
| 86766093 | 129365 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)cn1 | nan | ||
| CHEMBL3675821 | 129365 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc2)cn1 | nan | ||
| 68157252 | 89705 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 457 | 10 | 2 | 5 | 5.2 | CCCC(Oc1ccc(-n2cc3ccccc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381825 | 89705 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 457 | 10 | 2 | 5 | 5.2 | CCCC(Oc1ccc(-n2cc3ccccc3n2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 44304993 | 162633 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 542 | 14 | 3 | 5 | 6.7 | CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL418135 | 162633 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 542 | 14 | 3 | 5 | 6.7 | CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 122190362 | 122978 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 676 | 10 | 3 | 3 | 10.0 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2cc(C(C)C)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)cc2)cc1Cl | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617573 | 122978 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 676 | 10 | 3 | 3 | 10.0 | Cc1cc(C(F)(F)F)ccc1-c1ccc(NCc2cc(C(C)C)cc(C(F)(F)F)c2-c2ccc(C(=O)NCCC(=O)O)cc2)cc1Cl | 10.1016/j.bmcl.2015.07.092 | ||
| 71060110 | 130019 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 581 | 8 | 3 | 4 | 6.9 | Cc1cc(Cl)ccc1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3680832 | 130019 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 581 | 8 | 3 | 4 | 6.9 | Cc1cc(Cl)ccc1-c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 86766095 | 129368 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 | nan | ||
| CHEMBL3675824 | 129368 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 587 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 | nan | ||
| 86766111 | 129432 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 598 | 9 | 3 | 5 | 6.5 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(F)c(C(F)(F)F)c1 | nan | ||
| CHEMBL3675885 | 129432 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 598 | 9 | 3 | 5 | 6.5 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(F)c(C(F)(F)F)c1 | nan | ||
| 71060131 | 129453 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3c(F)cccc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675906 | 129453 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3c(F)cccc3Cl)cc2)cn1 | nan | ||
| 71060020 | 129350 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675806 | 129350 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(Cl)c2)cn1 | nan | ||
| 86766107 | 129404 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675858 | 129404 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 86766114 | 129454 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3C(F)(F)F)c(Cl)c2)cn1 | nan | ||
| CHEMBL3675907 | 129454 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 605 | 9 | 3 | 4 | 7.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3C(F)(F)F)c(Cl)c2)cn1 | nan | ||
| 71059970 | 130017 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3680830 | 130017 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3Cl)cc2)cn1 | nan | ||
| 71059932 | 130018 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 547 | 8 | 3 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| CHEMBL3680831 | 130018 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 547 | 8 | 3 | 4 | 6.5 | Cc1cc(Cl)ccc1-c1ccc(NC(=O)c2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)cc1 | nan | ||
| 71060180 | 129428 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.6 | Cc1ccc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)c(F)c1 | nan | ||
| CHEMBL3675881 | 129428 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.6 | Cc1ccc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)c(F)c1 | nan | ||
| 71060230 | 122979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 552 | 9 | 3 | 3 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617574 | 122979 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 552 | 9 | 3 | 3 | 7.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 | 10.1016/j.bmcl.2015.07.092 | ||
| 71059969 | 129418 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(F)c2)cn1 | nan | ||
| CHEMBL3675871 | 129418 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)c(F)c2)cn1 | nan | ||
| 71060067 | 129421 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 569 | 8 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675874 | 129421 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 569 | 8 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 86674278 | 130022 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 509 | 10 | 3 | 4 | 6.4 | C=C(C)c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| CHEMBL3680835 | 130022 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 509 | 10 | 3 | 4 | 6.4 | C=C(C)c1ccc(CNc2ccc(-c3ccc(F)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| 71059965 | 129417 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)cn1 | nan | ||
| CHEMBL3675870 | 129417 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)cn1 | nan | ||
| 86766108 | 129414 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675867 | 129414 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)c(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 71060027 | 129423 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 569 | 8 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 | nan | ||
| CHEMBL3675876 | 129423 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 569 | 8 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 | nan | ||
| 71060129 | 129355 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 9 | 3 | 4 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| CHEMBL3675811 | 129355 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 503 | 9 | 3 | 4 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| 3491 | 573 | 8 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 6 | 1 | 1 | 6.7 | CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C | 10.1016/j.bmcl.2011.10.113 | ||
| 5311277 | 573 | 8 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 6 | 1 | 1 | 6.7 | CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933348 | 573 | 8 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 342 | 6 | 1 | 1 | 6.7 | CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C | 10.1016/j.bmcl.2011.10.113 | ||
| 71059818 | 130027 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3680840 | 130027 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)c(Cl)c3)c(Cl)c2)cn1 | nan | ||
| 71059982 | 130010 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 8 | 3 | 4 | 5.8 | Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| CHEMBL3680823 | 130010 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 513 | 8 | 3 | 4 | 5.8 | Cc1ccc(C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| 71059891 | 129395 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(F)c3)cc2)cn1 | nan | ||
| CHEMBL3675849 | 129395 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.4 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3cccc(F)c3)cc2)cn1 | nan | ||
| 71059997 | 130021 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 527 | 10 | 3 | 5 | 6.1 | CC(=O)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)cc1 | nan | ||
| CHEMBL3680834 | 130021 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 527 | 10 | 3 | 5 | 6.1 | CC(=O)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)cc1 | nan | ||
| 71059715 | 130024 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 575 | 9 | 3 | 4 | 7.8 | CC(C)(C)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)cc1 | nan | ||
| CHEMBL3680837 | 130024 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 575 | 9 | 3 | 4 | 7.8 | CC(C)(C)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2Cl)cc1 | nan | ||
| 71060081 | 129447 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 503 | 9 | 3 | 4 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(F)c3)cc2)cn1 | nan | ||
| CHEMBL3675900 | 129447 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 503 | 9 | 3 | 4 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(F)c3)cc2)cn1 | nan | ||
| 86766116 | 130025 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| CHEMBL3680838 | 130025 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 8.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)c(Cl)c2)cn1 | nan | ||
| 71060072 | 129353 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(F)c3)cc2F)cn1 | nan | ||
| CHEMBL3675809 | 129353 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(F)c3)cc2F)cn1 | nan | ||
| 71060057 | 129358 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 8 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675814 | 129358 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 567 | 8 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 46240797 | 69084 | 6 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 520 | 10 | 3 | 2 | 7.2 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933350 | 69084 | 6 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 520 | 10 | 3 | 2 | 7.2 | CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2c(F)cc(C)cc12 | 10.1016/j.bmcl.2011.10.113 | ||
| 9938390 | 102294 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 588 | 10 | 3 | 4 | 7.6 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL305151 | 102294 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 588 | 10 | 3 | 4 | 7.6 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71059805 | 129401 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 499 | 9 | 3 | 4 | 6.2 | Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| CHEMBL3675855 | 129401 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 499 | 9 | 3 | 4 | 6.2 | Cc1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| 71060042 | 130014 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3C(F)(F)F)cc2)cn1 | nan | ||
| CHEMBL3680827 | 130014 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.0 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3C(F)(F)F)cc2)cn1 | nan | ||
| 71060077 | 130032 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 599 | 10 | 3 | 4 | 8.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3680845 | 130032 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 599 | 10 | 3 | 4 | 8.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(C3=CCCCC3)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 71060070 | 129346 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675802 | 129346 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 71059983 | 129437 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 580 | 9 | 3 | 5 | 6.7 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1Cl | nan | ||
| CHEMBL3675890 | 129437 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 580 | 9 | 3 | 5 | 6.7 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1Cl | nan | ||
| 44304623 | 201241 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 555 | 9 | 2 | 4 | 5.2 | Cc1ccc(N2CCN(C(=O)C(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C(C)(C)C)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62863 | 201241 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 555 | 9 | 2 | 4 | 5.2 | Cc1ccc(N2CCN(C(=O)C(Cc3ccc(C(=O)NCCC(=O)O)cc3)c3ccc(C(C)(C)C)cc3)CC2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71060209 | 129351 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2F)cn1 | nan | ||
| CHEMBL3675807 | 129351 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 571 | 9 | 3 | 4 | 7.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2F)cn1 | nan | ||
| 60150962 | 89721 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 10 | 2 | 5 | 4.0 | CCCC(Oc1ccc(-n2cccn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381841 | 89721 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 407 | 10 | 2 | 5 | 4.0 | CCCC(Oc1ccc(-n2cccn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 68178611 | 89722 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 432 | 10 | 2 | 6 | 3.9 | CCCC(Oc1ccc(-n2cc(C#N)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381842 | 89722 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 432 | 10 | 2 | 6 | 3.9 | CCCC(Oc1ccc(-n2cc(C#N)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 10686727 | 38602 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 314 | 5 | 2 | 5 | 3.3 | COc1cc(C(=O)CSc2nc3ccccc3[nH]2)ccc1O | 10.1021/jm9810304 | ||
| CHEMBL146683 | 38602 | 0 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 314 | 5 | 2 | 5 | 3.3 | COc1cc(C(=O)CSc2nc3ccccc3[nH]2)ccc1O | 10.1021/jm9810304 | ||
| 68156716 | 89713 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 9 | 2 | 5 | 5.4 | O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CCCC2)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381833 | 89713 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 501 | 9 | 2 | 5 | 5.4 | O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CCCC2)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 2228665 | 121461 | 10 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 330 | 5 | 3 | 6 | 3.0 | COc1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1 | 10.1021/jm9810304 | ||
| CHEMBL359176 | 121461 | 10 | None | - | 1 | Human | 4.4 | pKi | = | 4.4 | Binding | ChEMBL | 330 | 5 | 3 | 6 | 3.0 | COc1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1 | 10.1021/jm9810304 | ||
| 71060043 | 129433 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 546 | 9 | 3 | 5 | 6.0 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 | nan | ||
| CHEMBL3675886 | 129433 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 546 | 9 | 3 | 5 | 6.0 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1 | nan | ||
| 71060068 | 129440 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675893 | 129440 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 71059980 | 129356 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 8 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675812 | 129356 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 533 | 8 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 57396928 | 69094 | 0 | None | 11 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | 69094 | 0 | None | 11 | 3 | Human | 6.4 | pKi | = | 6.4 | 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 | ||
| 71060128 | 129415 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)c(F)c2)cn1 | nan | ||
| CHEMBL3675868 | 129415 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3)c(F)c2)cn1 | nan | ||
| 68178607 | 89723 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 4.0 | CCCC(Oc1ccc(-n2cc(OC)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381843 | 89723 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 437 | 11 | 2 | 6 | 4.0 | CCCC(Oc1ccc(-n2cc(OC)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 86766092 | 129364 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3C(F)(F)F)cc2)cn1 | nan | ||
| CHEMBL3675820 | 129364 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 621 | 9 | 3 | 4 | 7.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2CNc2ccc(-c3ccc(Cl)cc3C(F)(F)F)cc2)cn1 | nan | ||
| 71059938 | 129391 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 | nan | ||
| CHEMBL3675845 | 129391 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 | nan | ||
| 57391686 | 69098 | 0 | None | 44 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | 69098 | 0 | None | 44 | 3 | Human | 7.3 | pKi | = | 7.3 | 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 | ||
| 71060094 | 129388 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 583 | 10 | 3 | 5 | 6.9 | COc1cc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL3675842 | 129388 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 583 | 10 | 3 | 5 | 6.9 | COc1cc(NCc2ccc(Cl)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(C(F)(F)F)cc1 | nan | ||
| 68156402 | 122972 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 516 | 9 | 3 | 7 | 4.5 | CC1(C)CC(C(Nc2cnc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617567 | 122972 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 516 | 9 | 3 | 7 | 4.5 | CC1(C)CC(C(Nc2cnc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1 | 10.1016/j.bmcl.2015.07.092 | ||
| 44304913 | 201167 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 570 | 11 | 3 | 4 | 6.2 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(COC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62531 | 201167 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 570 | 11 | 3 | 4 | 6.2 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(COC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 20742348 | 201142 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 556 | 10 | 3 | 4 | 6.1 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62412 | 201142 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 556 | 10 | 3 | 4 | 6.1 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71060026 | 129403 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 563 | 10 | 3 | 6 | 5.3 | CS(=O)(=O)c1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| CHEMBL3675857 | 129403 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 563 | 10 | 3 | 6 | 5.3 | CS(=O)(=O)c1ccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c(-c2ccc(C(=O)NCCC(=O)O)nc2)c1 | nan | ||
| 71059992 | 129352 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2F)cn1 | nan | ||
| CHEMBL3675808 | 129352 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 537 | 9 | 3 | 4 | 6.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)cc3)cc2F)cn1 | nan | ||
| 71239512 | 122973 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 445 | 8 | 3 | 4 | 5.3 | Cc1cc2ccccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1 | 10.1016/j.bmcl.2015.07.092 | ||
| CHEMBL3617568 | 122973 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 445 | 8 | 3 | 4 | 5.3 | Cc1cc2ccccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1 | 10.1016/j.bmcl.2015.07.092 | ||
| 71060024 | 129420 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(F)c3)c(F)c2)cn1 | nan | ||
| CHEMBL3675873 | 129420 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(Cl)c(F)c3)c(F)c2)cn1 | nan | ||
| 10360917 | 121190 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 356 | 4 | 3 | 5 | 4.2 | CC(C)(C)c1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1 | 10.1021/jm9810304 | ||
| CHEMBL358886 | 121190 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 356 | 4 | 3 | 5 | 4.2 | CC(C)(C)c1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1 | 10.1021/jm9810304 | ||
| 60151938 | 89712 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 489 | 10 | 2 | 5 | 5.3 | CC(C)CC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381832 | 89712 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 489 | 10 | 2 | 5 | 5.3 | CC(C)CC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 10617488 | 39319 | 8 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 345 | 5 | 3 | 7 | 2.9 | O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| CHEMBL147331 | 39319 | 8 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 345 | 5 | 3 | 7 | 2.9 | O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| 654283 | 121028 | 8 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 327 | 5 | 3 | 6 | 2.9 | O=C(CSc1nnc(-c2ccccc2)[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| CHEMBL358546 | 121028 | 8 | None | - | 1 | Human | 4.3 | pKi | = | 4.3 | Binding | ChEMBL | 327 | 5 | 3 | 6 | 2.9 | O=C(CSc1nnc(-c2ccccc2)[nH]1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| 57402153 | 69088 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 435 | 11 | 2 | 5 | 4.6 | CCCC(Oc1cnn(-c2cccc(CC)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933354 | 69088 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 435 | 11 | 2 | 5 | 4.6 | CCCC(Oc1cnn(-c2cccc(CC)c2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 71059957 | 129424 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 535 | 8 | 3 | 4 | 5.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675877 | 129424 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 535 | 8 | 3 | 4 | 5.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2C(=O)Nc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 86766112 | 129436 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 614 | 9 | 3 | 5 | 7.1 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)c(C(F)(F)F)c1 | nan | ||
| CHEMBL3675889 | 129436 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 614 | 9 | 3 | 5 | 7.1 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)c(C(F)(F)F)c1 | nan | ||
| 44304835 | 100450 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 540 | 14 | 3 | 4 | 7.1 | CCCCCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL293907 | 100450 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 540 | 14 | 3 | 4 | 7.1 | CCCCCCC(Cc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 44304622 | 201090 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 616 | 10 | 3 | 3 | 8.1 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62123 | 201090 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 616 | 10 | 3 | 3 | 8.1 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 44304770 | 201789 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 570 | 14 | 3 | 4 | 7.2 | CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL66087 | 201789 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 570 | 14 | 3 | 4 | 7.2 | CCCCCCC(Oc1ccc(C(=O)NCCC(=O)O)cc1)C(=O)Nc1ccc(-c2ccc(Cl)cc2Cl)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71060107 | 129416 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 539 | 9 | 3 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3F)c(F)c2)cn1 | nan | ||
| CHEMBL3675869 | 129416 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 539 | 9 | 3 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccc(F)cc3F)c(F)c2)cn1 | nan | ||
| 57396926 | 69091 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | CCCC(Oc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933357 | 69091 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 441 | 10 | 2 | 5 | 4.7 | CCCC(Oc1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 71060033 | 129450 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cc(F)cc(F)c3)cc2)cn1 | nan | ||
| CHEMBL3675903 | 129450 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 521 | 9 | 3 | 4 | 6.2 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cc(F)cc(F)c3)cc2)cn1 | nan | ||
| 71059993 | 129359 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 5.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| CHEMBL3675815 | 129359 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 517 | 8 | 3 | 4 | 5.7 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)cn1 | nan | ||
| 71059829 | 129443 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cn1 | nan | ||
| CHEMBL3675896 | 129443 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cn1 | nan | ||
| 16100296 | 201151 | 40 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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.2004.02.056 | ||
| CHEMBL62444 | 201151 | 40 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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.2004.02.056 | ||
| 16755686 | 129300 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 7.2 | Cc1cc(OC(CCC(F)(F)F)c2ccc(C(=O)NCc3nnn[nH]3)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1 | nan | ||
| CHEMBL3675643 | 129300 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 7.2 | Cc1cc(OC(CCC(F)(F)F)c2ccc(C(=O)NCc3nnn[nH]3)cc2)cc(C)c1-c1ccc(C(C)(C)C)cc1 | nan | ||
| 71059833 | 129448 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675901 | 129448 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3Cl)cc2)cn1 | nan | ||
| 68156267 | 89727 | 5 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCCC(Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381847 | 89727 | 5 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 503 | 10 | 2 | 5 | 5.6 | CCCC(Oc1cc(C)c(-n2cc(C(F)(F)F)cn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71060098 | 129344 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| CHEMBL3675800 | 129344 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3)cc2)cn1 | nan | ||
| 71060135 | 129354 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(Cl)c3)cc2)cn1 | nan | ||
| CHEMBL3675810 | 129354 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(Cl)c3)cc2)cn1 | nan | ||
| 71614523 | 89724 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 11 | 2 | 6 | 3.7 | CCCC(Oc1ccc(-n2cc(C(=O)N(C)C)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381844 | 89724 | 0 | None | - | 1 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 478 | 11 | 2 | 6 | 3.7 | CCCC(Oc1ccc(-n2cc(C(=O)N(C)C)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 44304788 | 201580 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 6.2 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL64646 | 201580 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 546 | 8 | 3 | 6 | 6.2 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)Nc3nn[nH]n3)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 57393425 | 69097 | 0 | None | 54 | 3 | Human | 7.2 | pKi | = | 7.2 | 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 | 69097 | 0 | None | 54 | 3 | Human | 7.2 | pKi | = | 7.2 | 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 | ||
| 71059641 | 129345 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675801 | 129345 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 7.2 | O=C(O)CCNC(=O)c1ccc(-c2ccc(Cl)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 71059927 | 129376 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 535 | 8 | 3 | 4 | 5.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(F)cc3F)cc2)cn1 | nan | ||
| CHEMBL3675831 | 129376 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 535 | 8 | 3 | 4 | 5.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2C(=O)Nc2ccc(-c3ccc(F)cc3F)cc2)cn1 | nan | ||
| 71059825 | 129441 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| CHEMBL3675894 | 129441 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)c(F)cc2CNc2ccc(-c3ccc(Cl)cc3Cl)cc2)cn1 | nan | ||
| 71614312 | 89706 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 475 | 10 | 3 | 6 | 4.4 | CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381826 | 89706 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 475 | 10 | 3 | 6 | 4.4 | CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71060034 | 129399 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 9 | 3 | 5 | 5.8 | N#Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1-c1ccc(C(=O)NCCC(=O)O)nc1 | nan | ||
| CHEMBL3675853 | 129399 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 510 | 9 | 3 | 5 | 5.8 | N#Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1-c1ccc(C(=O)NCCC(=O)O)nc1 | nan | ||
| 68156701 | 89700 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 474 | 10 | 3 | 5 | 5.0 | CCCC(Nc1ccc(-n2cnc(C(F)(F)F)c2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381820 | 89700 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 474 | 10 | 3 | 5 | 5.0 | CCCC(Nc1ccc(-n2cnc(C(F)(F)F)c2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71059879 | 129434 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 564 | 9 | 3 | 5 | 6.2 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1F | nan | ||
| CHEMBL3675887 | 129434 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 564 | 9 | 3 | 5 | 6.2 | N#Cc1cc(NCc2cc(F)c(F)cc2-c2ccc(C(=O)NCCC(=O)O)nc2)ccc1-c1ccc(Cl)cc1F | nan | ||
| 68178614 | 89726 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 10 | 2 | 5 | 4.9 | CCCC(Oc1ccc(-n2cc3c(n2)CCCC3)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381846 | 89726 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 461 | 10 | 2 | 5 | 4.9 | CCCC(Oc1ccc(-n2cc3c(n2)CCCC3)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 11570626 | 2513 | 40 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 10.1016/j.bmcl.2011.10.113 | ||
| 9135 | 2513 | 40 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933349 | 2513 | 40 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 10.1016/j.bmcl.2011.10.113 | ||
| DB12044 | 2513 | 40 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | 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 | 10.1016/j.bmcl.2011.10.113 | ||
| 44304582 | 201734 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 538 | 10 | 3 | 5 | 5.3 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-n3cccn3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL65705 | 201734 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 538 | 10 | 3 | 5 | 5.3 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-n3cccn3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 60151654 | 89711 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 487 | 9 | 2 | 5 | 5.0 | O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CCC2)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381831 | 89711 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 487 | 9 | 2 | 5 | 5.0 | O=C(O)CCNC(=O)c1ccc(C(Oc2ccc(-n3cc(C(F)(F)F)cn3)cc2)C2CCC2)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 71060134 | 129444 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3C(F)(F)F)cc2)cn1 | nan | ||
| CHEMBL3675897 | 129444 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3ccccc3C(F)(F)F)cc2)cn1 | nan | ||
| 71060115 | 129392 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 541 | 9 | 3 | 4 | 7.2 | CC(C)(C)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)cc1 | nan | ||
| CHEMBL3675846 | 129392 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 541 | 9 | 3 | 4 | 7.2 | CC(C)(C)c1ccc(-c2ccc(NCc3ccc(Cl)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2)cc1 | nan | ||
| 60151936 | 89715 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 475 | 9 | 2 | 5 | 4.9 | CC(C)C(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381835 | 89715 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 475 | 9 | 2 | 5 | 4.9 | CC(C)C(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 44304581 | 201404 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 555 | 10 | 3 | 4 | 6.1 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL63923 | 201404 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 555 | 10 | 3 | 4 | 6.1 | CC(C)(C)c1ccc(C(Cc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 4066568 | 41008 | 9 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 317 | 4 | 2 | 6 | 3.7 | O=C(CSc1nc2ccccc2s1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| CHEMBL148905 | 41008 | 9 | None | - | 1 | Human | 4.1 | pKi | = | 4.1 | Binding | ChEMBL | 317 | 4 | 2 | 6 | 3.7 | O=C(CSc1nc2ccccc2s1)c1ccc(O)c(O)c1 | 10.1021/jm9810304 | ||
| 71059943 | 123922 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(F)c2)cn1 | nan | ||
| CHEMBL3639747 | 123922 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(Cl)cc3Cl)c(F)c2)cn1 | nan | ||
| 71060113 | 129435 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 544 | 9 | 3 | 5 | 5.8 | Cc1ccc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2C#N)c(F)c1 | nan | ||
| CHEMBL3675888 | 129435 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 544 | 9 | 3 | 5 | 5.8 | Cc1ccc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2C#N)c(F)c1 | nan | ||
| 44304525 | 201203 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 10 | 3 | 3 | 5.7 | CCc1cccc(NC(=O)C(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C(C)(C)C)cc2)c1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL62704 | 201203 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 10 | 3 | 3 | 5.7 | CCc1cccc(NC(=O)C(Cc2ccc(C(=O)NCCC(=O)O)cc2)c2ccc(C(C)(C)C)cc2)c1 | 10.1016/j.bmcl.2004.02.056 | ||
| 71059999 | 129442 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 569 | 10 | 3 | 5 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(OC(F)(F)F)c3)cc2)cn1 | nan | ||
| CHEMBL3675895 | 129442 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 569 | 10 | 3 | 5 | 6.8 | O=C(O)CCNC(=O)c1ccc(-c2cc(Cl)ccc2CNc2ccc(-c3cccc(OC(F)(F)F)c3)cc2)cn1 | nan | ||
| 10032265 | 185740 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | 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 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL487476 | 185740 | 1 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | 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 | 10.1016/j.bmcl.2011.10.113 | ||
| 71059948 | 129402 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 9 | 3 | 4 | 6.2 | Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1-c1ccc(C(=O)NCCC(=O)O)nc1 | nan | ||
| CHEMBL3675856 | 129402 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 499 | 9 | 3 | 4 | 6.2 | Cc1cccc(CNc2ccc(-c3ccc(Cl)cc3)cc2)c1-c1ccc(C(=O)NCCC(=O)O)nc1 | nan | ||
| 60151375 | 89704 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| CHEMBL2381824 | 89704 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 475 | 10 | 2 | 5 | 5.0 | CCCC(Oc1ccc(-n2cc(C(F)(F)F)cn2)cc1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2013.03.014 | ||
| 57393426 | 69099 | 0 | None | 30 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | 69099 | 0 | None | 30 | 3 | Human | 8.1 | pKi | = | 8.1 | 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 | ||
| 44304825 | 201541 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 550 | 10 | 3 | 4 | 6.6 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| CHEMBL64475 | 201541 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 550 | 10 | 3 | 4 | 6.6 | CC(C)(C)c1ccc(C(Oc2ccc(C(=O)NCCC(=O)O)cc2)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 | 10.1016/j.bmcl.2004.02.056 | ||
| 57396928 | 69094 | 0 | None | 11 | 3 | Human | 7.0 | pKi | = | 7.0 | 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 | 69094 | 0 | None | 11 | 3 | Human | 7.0 | pKi | = | 7.0 | 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 | ||
| 10600858 | 120527 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 8 | 2 | 7 | 5.3 | COC(=O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(Cl)c4)nc3c2)c1 | 10.1021/jm9810304 | ||
| CHEMBL356726 | 120527 | 0 | None | - | 1 | Human | 5.0 | pKi | = | 5.0 | Binding | ChEMBL | 482 | 8 | 2 | 7 | 5.3 | COC(=O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(Cl)c4)nc3c2)c1 | 10.1021/jm9810304 | ||
| 57745249 | 129301 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 551 | 8 | 2 | 5 | 7.7 | Cc1cc(OC(CCC(C)(C)C)c2ccc(C(=O)Nc3nnn[nH]3)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1 | nan | ||
| CHEMBL3675644 | 129301 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 551 | 8 | 2 | 5 | 7.7 | Cc1cc(OC(CCC(C)(C)C)c2ccc(C(=O)Nc3nnn[nH]3)cc2)cc(C)c1-c1ccc(C(F)(F)F)cc1 | nan | ||
| 71059851 | 129348 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 | nan | ||
| CHEMBL3675804 | 129348 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 | nan | ||
| 71080153 | 129349 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 | nan | ||
| CHEMBL3675805 | 129349 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 9 | 3 | 4 | 6.3 | O=C(O)CCNC(=O)c1ccc(-c2ccccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cn1 | nan | ||
| 71059922 | 129397 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2c(CNc3ccc(-c4ccc(Cl)cc4)cc3)cccc2C(F)(F)F)cn1 | nan | ||
| CHEMBL3675851 | 129397 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 553 | 9 | 3 | 4 | 6.9 | O=C(O)CCNC(=O)c1ccc(-c2c(CNc3ccc(-c4ccc(Cl)cc4)cc3)cccc2C(F)(F)F)cn1 | nan | ||
| 71060102 | 129438 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 544 | 9 | 3 | 5 | 5.8 | Cc1cc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2C#N)ccc1F | nan | ||
| CHEMBL3675891 | 129438 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 544 | 9 | 3 | 5 | 5.8 | Cc1cc(-c2ccc(NCc3cc(F)c(F)cc3-c3ccc(C(=O)NCCC(=O)O)nc3)cc2C#N)ccc1F | nan | ||
| 10694841 | 41323 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 450 | 8 | 4 | 7 | 4.2 | O=C(O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(O)c4)nc3c2)c1 | 10.1021/jm9810304 | ||
| CHEMBL149138 | 41323 | 0 | None | - | 1 | Human | 4.0 | pKi | = | 4.0 | Binding | ChEMBL | 450 | 8 | 4 | 7 | 4.2 | O=C(O)c1cccc(COc2ccc3[nH]c(SCC(=O)c4ccc(O)c(O)c4)nc3c2)c1 | 10.1021/jm9810304 | ||
| 57402152 | 69087 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1cnn(-c2ccc(C)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| CHEMBL1933353 | 69087 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 421 | 10 | 2 | 5 | 4.3 | CCCC(Oc1cnn(-c2ccc(C)cc2)c1)c1ccc(C(=O)NCCC(=O)O)cc1 | 10.1016/j.bmcl.2011.10.113 | ||
| 86766106 | 129394 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 549 | 10 | 4 | 5 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2ccc(CO)cc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 | nan | ||
| CHEMBL3675848 | 129394 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 549 | 10 | 4 | 5 | 6.0 | O=C(O)CCNC(=O)c1ccc(-c2ccc(CO)cc2CNc2ccc(-c3ccc(Cl)c(Cl)c3)cc2)cn1 | nan | ||
| 71059698 | 129390 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)cn1 | nan | ||
| CHEMBL3675844 | 129390 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 555 | 9 | 3 | 4 | 6.5 | O=C(O)CCNC(=O)c1ccc(-c2cc(F)ccc2CNc2ccc(-c3ccc(C(F)(F)F)cc3)c(F)c2)cn1 | nan | ||
| 9614 | 1184 | 0 | None | -3 | 3 | Mouse | 10.3 | pKd | = | 10.3 | Binding | Guide to Pharmacology | None | None | None | None | 26020795 | ||||
| 9614 | 1184 | 0 | None | 3 | 3 | Rat | 10.8 | pKd | = | 10.8 | Binding | Guide to Pharmacology | None | None | None | None | 26020795 | ||||
| 9614 | 1184 | 0 | None | -8 | 3 | Human | 9.9 | pKd | = | 9.9 | Binding | Guide to Pharmacology | None | None | None | None | 26020795 | ||||
| 3515 | 2803 | 9 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 300 | 4 | 3 | 5 | 2.9 | O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2 | 9857085 | ||
| 4206177 | 2803 | 9 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 300 | 4 | 3 | 5 | 2.9 | O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2 | 9857085 | ||
| CHEMBL346451 | 2803 | 9 | None | - | 1 | Human | 5.0 | pKi | = | 5 | Binding | Guide to Pharmacology | 300 | 4 | 3 | 5 | 2.9 | O=C(c1ccc(c(c1)O)O)CSc1nc2c([nH]1)cccc2 | 9857085 | ||
| 91933867 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 25656305 | ||
| 91933867 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 26681715 | ||
| 9479 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 25656305 | ||
| 9479 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 26681715 | ||
| CHEMBL3707351 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 25656305 | ||
| CHEMBL3707351 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 26681715 | ||
| DB11704 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 25656305 | ||
| DB11704 | 284 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | Guide to Pharmacology | 555 | 10 | 2 | 3 | 7.9 | OC(=O)CCNC(=O)c1ccc(cc1)[C@@H](Oc1cc(C)c(c(c1)C)c1ccc(cc1)C(C)(C)C)CCC(F)(F)F | 26681715 | ||