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 |
| CHEMBL3301581 | 209572 | 0 | None | - | 1 | Human | 10.7 | pEC50 | = | 10.7 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.7b00876 | ||||
| CHEMBL526530 | 213905 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 137659482 | 158625 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4098420 | 158625 | 0 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)C[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 134687361 | 157010 | 6 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4114 | 144 | 60 | 57 | -15.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 56841901 | 157010 | 6 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4114 | 144 | 60 | 57 | -15.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4080397 | 157010 | 6 | None | - | 1 | Human | 10.2 | pEC50 | = | 10.2 | Functional | ChEMBL | 4114 | 144 | 60 | 57 | -15.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137635394 | 155287 | 10 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 4014 | 137 | 60 | 54 | -14.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.7b00876 | ||
| 71312130 | 155287 | 10 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 4014 | 137 | 60 | 54 | -14.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4060034 | 155287 | 10 | None | - | 1 | Human | 10.1 | pEC50 | = | 10.1 | Functional | ChEMBL | 4014 | 137 | 60 | 54 | -14.5 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.7b00876 | ||
| 137642849 | 157897 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4112 | 142 | 60 | 57 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4090619 | 157897 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4112 | 142 | 60 | 57 | -16.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137639372 | 159261 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4247 | 150 | 60 | 56 | -11.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.8b00378 | ||
| CHEMBL4106296 | 159261 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4247 | 150 | 60 | 56 | -11.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.8b00378 | ||
| 137642287 | 157664 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4136 | 141 | 59 | 56 | -14.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4088173 | 157664 | 0 | None | - | 1 | Human | 9.9 | pEC50 | = | 9.9 | Functional | ChEMBL | 4136 | 141 | 59 | 56 | -14.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL506126 | 212420 | 10 | None | -4 | 2 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 137636149 | 155397 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4138 | 143 | 59 | 56 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4061182 | 155397 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4138 | 143 | 59 | 56 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137659716 | 158611 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4112 | 142 | 60 | 57 | -16.1 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4098344 | 158611 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4112 | 142 | 60 | 57 | -16.1 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137639372 | 159261 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4247 | 150 | 60 | 56 | -11.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106296 | 159261 | 0 | None | - | 1 | Human | 9.8 | pEC50 | = | 9.8 | Functional | ChEMBL | 4247 | 150 | 60 | 56 | -11.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| 137651582 | 156553 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 3970 | 128 | 59 | 53 | -13.9 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4074628 | 156553 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 3970 | 128 | 59 | 53 | -13.9 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.7b00876 | ||
| 49841000 | 18375 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1346 | 31 | 17 | 19 | -2.5 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)COC(=O)CCCCC(=O)OC[C@@H](C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm1008264 | ||
| CHEMBL1276264 | 18375 | 0 | None | - | 1 | Human | 9.7 | pEC50 | = | 9.7 | Functional | ChEMBL | 1346 | 31 | 17 | 19 | -2.5 | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)COC(=O)CCCCC(=O)OC[C@@H](C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm1008264 | ||
| 137634885 | 155598 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 3995 | 128 | 58 | 54 | -15.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4063722 | 155598 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 3995 | 128 | 58 | 54 | -15.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137660410 | 158583 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4126 | 143 | 60 | 57 | -15.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4097998 | 158583 | 0 | None | - | 1 | Human | 9.6 | pEC50 | = | 9.6 | Functional | ChEMBL | 4126 | 143 | 60 | 57 | -15.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137637857 | 155570 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)C[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4063322 | 155570 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)C[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 129631922 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 132274287 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 132451761 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 155817470 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 16132393 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 16133850 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 4448 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 4514 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 91933454 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| CHEMBL525610 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| DB06285 | 3710 | 10 | None | 3 | 4 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 137657687 | 159267 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4089 | 145 | 60 | 54 | -12.0 | CC[C@H](C)[C@H](NC(=O)C[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)CC(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)Cc1ccccc1)CC(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106303 | 159267 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4089 | 145 | 60 | 54 | -12.0 | CC[C@H](C)[C@H](NC(=O)C[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)CC(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)Cc1ccccc1)CC(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137640833 | 156443 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4097 | 141 | 59 | 56 | -14.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4073243 | 156443 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4097 | 141 | 59 | 56 | -14.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137643019 | 157741 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4243 | 147 | 63 | 55 | -13.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4089035 | 157741 | 0 | None | - | 1 | Human | 9.5 | pEC50 | = | 9.5 | Functional | ChEMBL | 4243 | 147 | 63 | 55 | -13.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137654722 | 158182 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 3982 | 124 | 58 | 52 | -12.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4093590 | 158182 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 3982 | 124 | 58 | 52 | -12.6 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.7b00876 | ||
| 137641949 | 157923 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4293 | 143 | 63 | 55 | -12.6 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4090894 | 157923 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4293 | 143 | 63 | 55 | -12.6 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137657564 | 159264 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4327 | 153 | 63 | 55 | -10.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106300 | 159264 | 0 | None | - | 1 | Human | 9.4 | pEC50 | = | 9.4 | Functional | ChEMBL | 4327 | 153 | 63 | 55 | -10.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| 137659455 | 158571 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4125 | 127 | 61 | 53 | -14.1 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4097878 | 158571 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4125 | 127 | 61 | 53 | -14.1 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137636311 | 155232 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4075 | 131 | 61 | 53 | -14.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4059512 | 155232 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4075 | 131 | 61 | 53 | -14.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137634846 | 155564 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4010 | 123 | 58 | 52 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4063242 | 155564 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4010 | 123 | 58 | 52 | -12.7 | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.7b00876 | ||
| 137640122 | 156140 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4295 | 145 | 63 | 55 | -12.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4069902 | 156140 | 0 | None | - | 1 | Human | 9.3 | pEC50 | = | 9.3 | Functional | ChEMBL | 4295 | 145 | 63 | 55 | -12.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137657688 | 159268 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 3998 | 127 | 59 | 53 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106304 | 159268 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 3998 | 127 | 59 | 53 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CNC[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@H]1CCC[C@@H]1C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.7b00876 | ||
| 137645140 | 157307 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4017 | 125 | 57 | 53 | -14.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4083799 | 157307 | 0 | None | - | 1 | Human | 9.2 | pEC50 | = | 9.2 | Functional | ChEMBL | 4017 | 125 | 57 | 53 | -14.1 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137657566 | 159266 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4377 | 149 | 63 | 55 | -10.2 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106302 | 159266 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4377 | 149 | 63 | 55 | -10.2 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| 137657565 | 159265 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4379 | 151 | 63 | 55 | -10.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106301 | 159265 | 0 | None | - | 1 | Human | 9.1 | pEC50 | = | 9.1 | Functional | ChEMBL | 4379 | 151 | 63 | 55 | -10.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| 44584924 | 192844 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935164 | 192844 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL526677 | 192844 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| 129631922 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 132274287 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 132451761 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 155817470 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 16132393 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 16133850 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 4448 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 4514 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 91933454 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| CHEMBL525610 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| DB06285 | 3710 | 10 | None | 3 | 4 | Human | 9.0 | pEC50 | = | 9 | Functional | ChEMBL | None | None | None | None | 10.1021/jm9018756 | ||||
| 44584923 | 192756 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935163 | 192756 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL525069 | 192756 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL506126 | 212420 | 10 | None | 4 | 2 | Rat | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 137635204 | 155338 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)CC(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4060554 | 155338 | 0 | None | - | 1 | Human | 9.0 | pEC50 | = | 9.0 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)CC(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137643296 | 157849 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 4127 | 129 | 61 | 53 | -13.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4090161 | 157849 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 4127 | 129 | 61 | 53 | -13.9 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137657562 | 159262 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 4269 | 147 | 59 | 55 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106298 | 159262 | 0 | None | - | 1 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | 4269 | 147 | 59 | 55 | -10.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| 44584918 | 188177 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935161 | 188177 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL505612 | 188177 | 0 | None | -3 | 2 | Human | 6.0 | pEC50 | = | 6 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 137650056 | 156823 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 4138 | 143 | 59 | 56 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4078125 | 156823 | 0 | None | - | 1 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | 4138 | 143 | 59 | 56 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL1276263 | 206922 | 0 | None | - | 1 | Human | 6.0 | pEC50 | = | 6.0 | Functional | ChEMBL | None | None | None | CCCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)CCCCNC(=O)CC[C@@H](C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O | 10.1021/jm1008264 | ||||
| 66817788 | 163487 | 2 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 2.9 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.8b00182 | ||
| CHEMBL4208963 | 163487 | 2 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 2.9 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.8b00182 | ||
| 66817788 | 163487 | 2 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 2.9 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4208963 | 163487 | 2 | None | - | 1 | Human | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 517 | 6 | 2 | 5 | 2.9 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 76284228 | 151237 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 649 | 7 | 2 | 8 | 2.3 | Cc1cc(N2C(=O)NC(=O)C23COC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | nan | ||
| CHEMBL3964997 | 151237 | 0 | None | - | 1 | Rat | 4.9 | pEC50 | = | 4.9 | Functional | ChEMBL | 649 | 7 | 2 | 8 | 2.3 | Cc1cc(N2C(=O)NC(=O)C23COC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | nan | ||
| CHEMBL499651 | 212318 | 0 | None | 3 | 2 | Rat | 6.9 | pEC50 | = | 6.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL450474 | 212204 | 0 | None | -1 | 2 | Human | 7.9 | pEC50 | = | 7.9 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 137639371 | 159260 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106295 | 159260 | 0 | None | - | 1 | Human | 7.8 | pEC50 | = | 7.8 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL450474 | 212204 | 0 | None | -1 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL499651 | 212318 | 0 | None | -3 | 2 | Human | 5.8 | pEC50 | = | 5.8 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL514849 | 213810 | 0 | None | 4 | 2 | Rat | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 137657563 | 159263 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 4267 | 145 | 59 | 55 | -10.4 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106299 | 159263 | 0 | None | - | 1 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | 4267 | 145 | 59 | 55 | -10.4 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)CC(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(N)=O)Cc1ccccc1)C(C)C)C(C)C)Cc1c[nH]c2ccccc12 | 10.1021/acs.jmedchem.7b00876 | ||
| 137639587 | 156326 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4071949 | 156326 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137631923 | 155889 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4015 | 123 | 57 | 53 | -14.3 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4067009 | 155889 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 4015 | 123 | 57 | 53 | -14.3 | CSCC[C@H](NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CNC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC[C@@H]1C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 76283959 | 150981 | 0 | None | 1 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 661 | 7 | 2 | 7 | 3.9 | Cc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | nan | ||
| CHEMBL3962850 | 150981 | 0 | None | 1 | 2 | Rat | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | 661 | 7 | 2 | 7 | 3.9 | Cc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | nan | ||
| CHEMBL506126 | 212420 | 10 | None | -4 | 2 | Human | 8.7 | pEC50 | = | 8.7 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL1276262 | 206921 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(N)=O | 10.1021/jm1008264 | ||||
| 129631922 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 132274287 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 132451761 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 155817470 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 16132393 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 16133850 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 4448 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 4514 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 91933454 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| CHEMBL525610 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| DB06285 | 3710 | 10 | None | 3 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 155536792 | 171613 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4115 | 144 | 60 | 57 | -15.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4473665 | 171613 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4115 | 144 | 60 | 57 | -15.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)NC(CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(C)C)C(C)C | 10.1021/acs.jmedchem.9b01743 | ||
| 137659489 | 158632 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@@H](CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4098506 | 158632 | 0 | None | - | 1 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@@H](CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 44584923 | 192756 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935163 | 192756 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL525069 | 192756 | 0 | None | - | 1 | Human | 7.7 | pEC50 | = | 7.7 | Functional | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 66818600 | 150592 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 593 | 7 | 2 | 7 | 2.2 | Cc1cc(N2C(=O)CNC2=O)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O | nan | ||
| CHEMBL3959465 | 150592 | 0 | None | - | 1 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 593 | 7 | 2 | 7 | 2.2 | Cc1cc(N2C(=O)CNC2=O)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O | nan | ||
| 12788 | 2956 | 24 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | nan | ||
| 76283707 | 2956 | 24 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | nan | ||
| CHEMBL3976807 | 2956 | 24 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | nan | ||
| DB14946 | 2956 | 24 | None | 1 | 2 | Rat | 5.6 | pEC50 | = | 5.6 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | nan | ||
| 44584918 | 188177 | 0 | None | 3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935161 | 188177 | 0 | None | 3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL505612 | 188177 | 0 | None | 3 | 2 | Rat | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL506126 | 212420 | 10 | None | -4 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL499651 | 212318 | 0 | None | -3 | 2 | Human | 7.6 | pEC50 | = | 7.6 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 66817107 | 163447 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 488 | 6 | 2 | 5 | 3.1 | CC(=O)Nc1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1 | 10.1021/acs.jmedchem.8b00182 | ||
| CHEMBL4208427 | 163447 | 0 | None | - | 1 | Human | 4.6 | pEC50 | = | 4.6 | Functional | ChEMBL | 488 | 6 | 2 | 5 | 3.1 | CC(=O)Nc1cc(C)c(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1 | 10.1021/acs.jmedchem.8b00182 | ||
| 137637950 | 155268 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4134 | 139 | 59 | 56 | -14.5 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4059923 | 155268 | 0 | None | - | 1 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 4134 | 139 | 59 | 56 | -14.5 | CSCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCSC)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H]1CCC[C@@H]1N)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL514849 | 213810 | 0 | None | -4 | 2 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL1084168 | 6781 | 0 | None | - | 1 | Human | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 282 | 6 | 2 | 5 | 0.5 | CCCCN1C(=O)C(=C(N)N)C(=O)N(CCCC)C1=O | 10.1021/jm9018756 | ||
| 76283706 | 145162 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 633 | 7 | 2 | 7 | 3.1 | Cc1cc(N2C(=O)NC(=O)C23CC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | nan | ||
| CHEMBL3916272 | 145162 | 0 | None | - | 1 | Rat | 5.5 | pEC50 | = | 5.5 | Functional | ChEMBL | 633 | 7 | 2 | 7 | 3.1 | Cc1cc(N2C(=O)NC(=O)C23CC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | nan | ||
| 66817215 | 170035 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 543 | 6 | 2 | 6 | 2.4 | Cc1cc(N2C(=O)CNC2=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4450877 | 170035 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 543 | 6 | 2 | 6 | 2.4 | Cc1cc(N2C(=O)CNC2=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 66817553 | 171945 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 531 | 7 | 2 | 5 | 3.3 | CC[C@H]1CC[C@H](C2=NC3(CCN(S(=O)(=O)CCc4c(C)cc(N(C)C(N)=O)cc4C)CC3)C(=O)N2)CC1 | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4483577 | 171945 | 0 | None | - | 1 | Human | 4.5 | pEC50 | = | 4.5 | Functional | ChEMBL | 531 | 7 | 2 | 5 | 3.3 | CC[C@H]1CC[C@H](C2=NC3(CCN(S(=O)(=O)CCc4c(C)cc(N(C)C(N)=O)cc4C)CC3)C(=O)N2)CC1 | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL450474 | 212204 | 0 | None | 1 | 2 | Rat | 6.5 | pEC50 | = | 6.5 | Functional | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 76283959 | 150981 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 661 | 7 | 2 | 7 | 3.9 | Cc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL3962850 | 150981 | 0 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 661 | 7 | 2 | 7 | 3.9 | Cc1cc(N2C(=O)NC(=O)C23CCCC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 155533095 | 171244 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 581 | 7 | 2 | 6 | 3.0 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4468503 | 171244 | 0 | None | - | 1 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 581 | 7 | 2 | 6 | 3.0 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 137657689 | 159269 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4042 | 148 | 61 | 55 | -13.1 | CC[C@H](C)[C@H](NC(=O)C[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)CC(N)=O)[C@@H](C)O)CC(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4106305 | 159269 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4042 | 148 | 61 | 55 | -13.1 | CC[C@H](C)[C@H](NC(=O)C[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](C(=O)N[C@@H](C)CC(N)=O)[C@@H](C)O)CC(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 44270511 | 168458 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4269 | 148 | 58 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\F)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL439458 | 168458 | 0 | None | - | 1 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | 4269 | 148 | 58 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\F)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| 137642401 | 157952 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4091191 | 157952 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 12788 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 10.1021/acs.jmedchem.9b01743 | ||
| 76283707 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL3976807 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 10.1021/acs.jmedchem.9b01743 | ||
| DB14946 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | ChEMBL | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 10.1021/acs.jmedchem.9b01743 | ||
| 155513348 | 169163 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 607 | 7 | 2 | 7 | 2.5 | Cc1cc(N2C(=O)CNC2=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4438541 | 169163 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 607 | 7 | 2 | 7 | 2.5 | Cc1cc(N2C(=O)CNC2=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 155553639 | 173600 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 621 | 7 | 2 | 7 | 2.9 | Cc1cc(N2C(=O)NC(=O)C2C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4547545 | 173600 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 621 | 7 | 2 | 7 | 2.9 | Cc1cc(N2C(=O)NC(=O)C2C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 44270512 | 165260 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4257 | 147 | 58 | 57 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\Cl)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL424859 | 165260 | 0 | None | - | 1 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | 4257 | 147 | 58 | 57 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\Cl)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| 145975286 | 163010 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 474 | 6 | 2 | 5 | 2.8 | CC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1 | 10.1021/acs.jmedchem.8b00182 | ||
| CHEMBL4203200 | 163010 | 0 | None | - | 1 | Human | 4.3 | pEC50 | = | 4.3 | Functional | ChEMBL | 474 | 6 | 2 | 5 | 2.8 | CC(=O)Nc1ccc(CCS(=O)(=O)N2CCC3(CC2)N=C(C2CCCCC2)NC3=O)c(C)c1 | 10.1021/acs.jmedchem.8b00182 | ||
| 44584918 | 188177 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935161 | 188177 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL505612 | 188177 | 0 | None | -3 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 155542161 | 172496 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 649 | 7 | 1 | 7 | 3.7 | Cc1cc(N2C(=O)N(C)C(=O)C2(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| CHEMBL4519810 | 172496 | 0 | None | - | 1 | Human | 5.3 | pEC50 | = | 5.3 | Functional | ChEMBL | 649 | 7 | 1 | 7 | 3.7 | Cc1cc(N2C(=O)N(C)C(=O)C2(C)C)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O | 10.1021/acs.jmedchem.9b01743 | ||
| 145964425 | 163841 | 0 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 2.6 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O | 10.1021/acs.jmedchem.8b00182 | ||
| CHEMBL4213349 | 163841 | 0 | None | - | 1 | Human | 4.2 | pEC50 | = | 4.2 | Functional | ChEMBL | 503 | 6 | 2 | 5 | 2.6 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(C1CCCCC1)NC2=O | 10.1021/acs.jmedchem.8b00182 | ||
| 44584924 | 192844 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935164 | 192844 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL526677 | 192844 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| 44270419 | 98078 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4285 | 148 | 58 | 57 | -13.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\Cl)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL276472 | 98078 | 0 | None | - | 1 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | 4285 | 148 | 58 | 57 | -13.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\Cl)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL514849 | 213810 | 0 | None | -4 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 44270513 | 166340 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 4241 | 147 | 58 | 57 | -14.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\F)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL428635 | 166340 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 4241 | 147 | 58 | 57 | -14.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\F)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| 137652688 | 158391 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 4094 | 141 | 60 | 56 | -15.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4095903 | 158391 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 4094 | 141 | 60 | 56 | -15.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 137660321 | 158904 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)C[C@@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| CHEMBL4101396 | 158904 | 0 | None | - | 1 | Human | 8.0 | pEC50 | = | 8.0 | Functional | ChEMBL | 4128 | 145 | 60 | 57 | -15.4 | CC[C@H](C)[C@H](NC(=O)C[C@@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)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](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b00876 | ||
| 168280381 | 190673 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 580 | 6 | 1 | 6 | 6.0 | COC1(CNC2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5190633 | 190673 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 580 | 6 | 1 | 6 | 6.0 | COC1(CNC2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| 168289815 | 190698 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 608 | 6 | 1 | 7 | 5.8 | COC(=O)C1(CNC2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5191139 | 190698 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 608 | 6 | 1 | 7 | 5.8 | COC(=O)C1(CNC2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| 155536860 | 171668 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 434 | 6 | 2 | 5 | 4.9 | COc1ccc2c(c1)N(c1ccc(NCCN)cc1)C(=O)C(C)(C)N=C2C1CCCCC1 | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4474255 | 171668 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 434 | 6 | 2 | 5 | 4.9 | COc1ccc2c(c1)N(c1ccc(NCCN)cc1)C(=O)C(C)(C)N=C2C1CCCCC1 | 10.1016/j.bmcl.2019.07.052 | ||
| 155540108 | 172340 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 452 | 6 | 2 | 4 | 5.8 | CC(C)C1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4516490 | 172340 | 0 | None | - | 1 | Human | 4.9 | pIC50 | = | 4.9 | Functional | ChEMBL | 452 | 6 | 2 | 4 | 5.8 | CC(C)C1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 168280823 | 190630 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 622 | 7 | 2 | 6 | 6.5 | COC1(CN[C@H]2CC[C@@H](C(=O)O)CC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5189957 | 190630 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 622 | 7 | 2 | 6 | 6.5 | COC1(CN[C@H]2CC[C@@H](C(=O)O)CC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| 156020093 | 177605 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 504 | 6 | 2 | 5 | 5.8 | Cc1cnc2c(c1)-c1ccc(Cl)cc1N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C2(C)C | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4649331 | 177605 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 504 | 6 | 2 | 5 | 5.8 | Cc1cnc2c(c1)-c1ccc(Cl)cc1N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C2(C)C | 10.1016/j.bmc.2020.115524 | ||
| 155560902 | 174404 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 452 | 5 | 2 | 4 | 5.9 | CC1(C2=NC(C)(C)C(=O)N(c3ccc(NCCN)cc3)c3cc(Cl)ccc32)CCCCC1 | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4566470 | 174404 | 0 | None | - | 1 | Human | 4.8 | pIC50 | = | 4.8 | Functional | ChEMBL | 452 | 5 | 2 | 4 | 5.9 | CC1(C2=NC(C)(C)C(=O)N(c3ccc(NCCN)cc3)c3cc(Cl)ccc32)CCCCC1 | 10.1016/j.bmcl.2019.07.052 | ||
| 168268911 | 189400 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 624 | 6 | 2 | 5 | 7.2 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@@](C)(C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5171324 | 189400 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 624 | 6 | 2 | 5 | 7.2 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@@](C)(C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 156020029 | 177514 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 524 | 6 | 2 | 5 | 6.2 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4647898 | 177514 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 524 | 6 | 2 | 5 | 6.2 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| 168280823 | 191278 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 622 | 7 | 2 | 6 | 6.5 | COC1(CN[C@H]2CC[C@H](C(=O)O)CC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5199789 | 191278 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 622 | 7 | 2 | 6 | 6.5 | COC1(CN[C@H]2CC[C@H](C(=O)O)CC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| 155559611 | 174300 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 590 | 8 | 2 | 7 | 4.8 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCN(S(C)(=O)=O)CC3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4563935 | 174300 | 0 | None | - | 1 | Human | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 590 | 8 | 2 | 7 | 4.8 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCN(S(C)(=O)=O)CC3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 156012452 | 176761 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 523 | 6 | 2 | 4 | 6.8 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2cc(Cl)ccc21 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4637465 | 176761 | 0 | None | - | 1 | Human | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 523 | 6 | 2 | 4 | 6.8 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2cc(Cl)ccc21 | 10.1016/j.bmc.2020.115524 | ||
| 155547998 | 173110 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 511 | 7 | 2 | 5 | 6.7 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCCCC3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4535424 | 173110 | 0 | None | - | 1 | Human | 5.6 | pIC50 | = | 5.6 | Functional | ChEMBL | 511 | 7 | 2 | 5 | 6.7 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCCCC3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 168288732 | 190791 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 594 | 6 | 2 | 6 | 5.7 | CC1(C)C(=O)N(c2ccc(N3CC(CNC4CCOCC4)(C(=O)O)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5192509 | 190791 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 594 | 6 | 2 | 6 | 5.7 | CC1(C)C(=O)N(c2ccc(N3CC(CNC4CCOCC4)(C(=O)O)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 155558265 | 174154 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 5.0 | CC(C)CC1=NC(C)(C)C(=O)N(c2ccc(NCCN)cc2)c2cc(Cl)ccc21 | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4560415 | 174154 | 0 | None | - | 1 | Human | 4.6 | pIC50 | = | 4.6 | Functional | ChEMBL | 412 | 6 | 2 | 4 | 5.0 | CC(C)CC1=NC(C)(C)C(=O)N(c2ccc(NCCN)cc2)c2cc(Cl)ccc21 | 10.1016/j.bmcl.2019.07.052 | ||
| 156009840 | 176497 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 5.7 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(F)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4633101 | 176497 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 5.7 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(F)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| 156015472 | 177032 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 520 | 7 | 2 | 6 | 5.5 | COc1ccc2c(c1)N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C(C)(C)c1ncc(Cl)cc1-2 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4640934 | 177032 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 520 | 7 | 2 | 6 | 5.5 | COc1ccc2c(c1)N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C(C)(C)c1ncc(Cl)cc1-2 | 10.1016/j.bmc.2020.115524 | ||
| 168283337 | 190176 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 550 | 5 | 1 | 5 | 6.2 | CC1(C)C(=O)N(c2ccc(N3CC(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5183438 | 190176 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 550 | 5 | 1 | 5 | 6.2 | CC1(C)C(=O)N(c2ccc(N3CC(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 156022092 | 177620 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 6.1 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2ccccc21 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4649605 | 177620 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 489 | 6 | 2 | 4 | 6.1 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2ccccc21 | 10.1016/j.bmc.2020.115524 | ||
| 155522420 | 170087 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 438 | 5 | 2 | 4 | 5.5 | CC1(C)N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4451534 | 170087 | 0 | None | - | 1 | Human | 5.5 | pIC50 | = | 5.5 | Functional | ChEMBL | 438 | 5 | 2 | 4 | 5.5 | CC1(C)N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 156016878 | 177158 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 504 | 6 | 2 | 5 | 5.8 | Cc1ccc2c(c1)N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C(C)(C)c1ncc(Cl)cc1-2 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4642502 | 177158 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 504 | 6 | 2 | 5 | 5.8 | Cc1ccc2c(c1)N(c1ccc(NCCNC3CCOCC3)cc1)C(=O)C(C)(C)c1ncc(Cl)cc1-2 | 10.1016/j.bmc.2020.115524 | ||
| 155543526 | 173699 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 410 | 5 | 2 | 4 | 4.8 | NCCNc1ccc(N2C(=O)CN=C(C3CCCCC3)c3ccc(Cl)cc32)cc1 | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4549673 | 173699 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 410 | 5 | 2 | 4 | 4.8 | NCCNc1ccc(N2C(=O)CN=C(C3CCCCC3)c3ccc(Cl)cc32)cc1 | 10.1016/j.bmcl.2019.07.052 | ||
| 168269753 | 189422 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 592 | 6 | 2 | 5 | 6.7 | CC1(C)C(=O)N(c2ccc(N3CC(CN[C@H]4CC[C@@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5171680 | 189422 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 592 | 6 | 2 | 5 | 6.7 | CC1(C)C(=O)N(c2ccc(N3CC(CN[C@H]4CC[C@@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 155555773 | 173805 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.7 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(OCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4552110 | 173805 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 430 | 5 | 1 | 5 | 4.7 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(OCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 155550447 | 174385 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.1 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4565999 | 174385 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 443 | 6 | 2 | 5 | 5.1 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 23582761 | 176978 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 8 | 2 | 6 | 6.2 | CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cn2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4640405 | 176978 | 0 | None | - | 1 | Human | 5.4 | pIC50 | = | 5.4 | Functional | ChEMBL | 538 | 8 | 2 | 6 | 6.2 | CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cn2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| 155551285 | 173355 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 453 | 6 | 2 | 5 | 4.6 | CN(C)C1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4541000 | 173355 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 453 | 6 | 2 | 5 | 4.6 | CN(C)C1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 155557308 | 173970 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 432 | 5 | 2 | 4 | 5.0 | CC1(C)N=C(c2ccccc2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4556218 | 173970 | 0 | None | - | 1 | Human | 4.4 | pIC50 | = | 4.4 | Functional | ChEMBL | 432 | 5 | 2 | 4 | 5.0 | CC1(C)N=C(c2ccccc2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 168269753 | 190768 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 592 | 6 | 2 | 5 | 6.7 | CC1(C)C(=O)N(c2ccc(N3CC(CN[C@H]4CC[C@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5192194 | 190768 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 592 | 6 | 2 | 5 | 6.7 | CC1(C)C(=O)N(c2ccc(N3CC(CN[C@H]4CC[C@H](C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 16220269 | 189058 | 0 | None | 1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| CHEMBL515170 | 189058 | 0 | None | 1 | 5 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| 155526572 | 170587 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 5 | 2 | 4 | 5.2 | Cc1ccc2c(c1)N(c1ccc(NCCN)cc1)C(=O)C(C)(C)N=C2C1CCCCC1 | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4458800 | 170587 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 418 | 5 | 2 | 4 | 5.2 | Cc1ccc2c(c1)N(c1ccc(NCCN)cc1)C(=O)C(C)(C)N=C2C1CCCCC1 | 10.1016/j.bmcl.2019.07.052 | ||
| 155518374 | 169711 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 466 | 6 | 2 | 4 | 6.2 | CC(C)C1(C)N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4446377 | 169711 | 0 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 466 | 6 | 2 | 4 | 6.2 | CC(C)C1(C)N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 16220269 | 189058 | 0 | None | 1 | 5 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| CHEMBL515170 | 189058 | 0 | None | 1 | 5 | Human | 4.2 | pIC50 | = | 4.2 | Functional | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| 155546261 | 172946 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 429 | 5 | 2 | 5 | 4.8 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4531282 | 172946 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 429 | 5 | 2 | 5 | 4.8 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 155522839 | 170216 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 5 | 1 | 4 | 5.3 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(CCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4453102 | 170216 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 428 | 5 | 1 | 4 | 5.3 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(CCCN)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 168290054 | 190699 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 594 | 6 | 0 | 6 | 6.3 | COC1(CN(C)C2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5191156 | 190699 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 594 | 6 | 0 | 6 | 6.3 | COC1(CN(C)C2CCOCC2)CN(c2ccc(N3C(=O)C(C)(C)c4ncc(Cl)cc4-c4ccc(Cl)cc43)cc2)C1 | 10.1016/j.bmc.2022.116763 | ||
| 12004 | 1455 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 610 | 6 | 2 | 5 | 6.8 | Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1 | 10.1016/j.bmc.2022.116763 | ||
| 163358786 | 1455 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 610 | 6 | 2 | 5 | 6.8 | Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5201424 | 1455 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 610 | 6 | 2 | 5 | 6.8 | Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1 | 10.1016/j.bmc.2022.116763 | ||
| 156014618 | 176607 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 5.7 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2cc(F)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4635077 | 176607 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 508 | 6 | 2 | 5 | 5.7 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(Cl)ccc2-c2cc(F)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| 168280840 | 190119 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 566 | 5 | 2 | 6 | 5.3 | CC1(C)C(=O)N(c2ccc(N3CC(O)(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5182497 | 190119 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 566 | 5 | 2 | 6 | 5.3 | CC1(C)C(=O)N(c2ccc(N3CC(O)(CNC4CCOCC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 168290134 | 190872 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 582 | 6 | 2 | 5 | 6.0 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4C[C@H](C(=O)O)C4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5193454 | 190872 | 0 | None | - | 1 | Human | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 582 | 6 | 2 | 5 | 6.0 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4C[C@H](C(=O)O)C4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 156009701 | 176586 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 512 | 7 | 2 | 5 | 6.4 | CC1(C)C=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4634580 | 176586 | 0 | None | - | 1 | Human | 5.1 | pIC50 | = | 5.1 | Functional | ChEMBL | 512 | 7 | 2 | 5 | 6.4 | CC1(C)C=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| 168291743 | 191401 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 636 | 6 | 2 | 5 | 7.3 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CNC45CCC(C(=O)O)(CC4)CC5)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5201635 | 191401 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 636 | 6 | 2 | 5 | 7.3 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CNC45CCC(C(=O)O)(CC4)CC5)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 168268911 | 191428 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 624 | 6 | 2 | 5 | 7.2 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@](C)(C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| CHEMBL5202067 | 191428 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 624 | 6 | 2 | 5 | 7.2 | CC1(C)C(=O)N(c2ccc(N3CC(F)(CN[C@H]4CC[C@](C)(C(=O)O)CC4)C3)cc2)c2cc(Cl)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2022.116763 | ||
| 139035050 | 171011 | 11 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 7 | 2 | 6 | 5.6 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4465123 | 171011 | 11 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 7 | 2 | 6 | 5.6 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| 156016201 | 177117 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 515 | 6 | 2 | 6 | 5.4 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(C#N)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4642072 | 177117 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 515 | 6 | 2 | 6 | 5.4 | CC1(C)C(=O)N(c2ccc(NCCNC3CCOCC3)cc2)c2cc(C#N)ccc2-c2cc(Cl)cnc21 | 10.1016/j.bmc.2020.115524 | ||
| 139035050 | 171011 | 11 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 7 | 2 | 6 | 5.6 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4465123 | 171011 | 11 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 513 | 7 | 2 | 6 | 5.6 | CC1(C)N=C(C2CCCCC2)c2ccc(C#N)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 25118026 | 171266 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 477 | 5 | 1 | 4 | 6.2 | CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(CC3=NCCN3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| CHEMBL4468837 | 171266 | 0 | None | - | 1 | Human | 5.0 | pIC50 | = | 5.0 | Functional | ChEMBL | 477 | 5 | 1 | 4 | 6.2 | CC(C)N1N=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(CC3=NCCN3)cc2)C1=O | 10.1016/j.bmcl.2019.07.052 | ||
| 156018523 | 177197 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 7.2 | CC1(C)C=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| CHEMBL4643152 | 177197 | 0 | None | - | 1 | Human | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 521 | 7 | 2 | 4 | 7.2 | CC1(C)C=C(C2CCCCC2)c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O | 10.1016/j.bmc.2020.115524 | ||
| 23626557 | 91856 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242784 | 91856 | 0 | None | - | 0 | Human | 7.8 | pKd | = | 7.8 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626557 | 91856 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242784 | 91856 | 0 | None | - | 0 | Human | 7.7 | pKd | = | 7.7 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626557 | 91856 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242784 | 91856 | 0 | None | - | 0 | Human | 5.5 | pKd | = | 5.5 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626557 | 91856 | 0 | None | - | 0 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242784 | 91856 | 0 | None | - | 0 | Mouse | 6.3 | pKd | = | 6.3 | Functional | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 12788 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 32022560 | ||
| 76283707 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 32022560 | ||
| CHEMBL3976807 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 32022560 | ||
| DB14946 | 2956 | 24 | None | -1 | 2 | Human | 5.4 | pEC50 | = | 5.4 | Functional | Guide to Pharmacology | 635 | 7 | 2 | 7 | 3.3 | O=C1NC(=NC12CCN(S(=O)(CCC3=C(C=C(N4C(NC(C4(C)C)=O)=O)C=C3C)C)=O)CC2)C5=CC=C(C=C5)OC(F)(F)F | 32022560 | ||
| 129631922 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 132274287 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 132451761 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 155817470 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16132393 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16133850 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 4448 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 4514 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 91933454 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL525610 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| DB06285 | 3710 | 10 | None | 3 | 4 | Human | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 129631922 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 132274287 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 132451761 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 155817470 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16132393 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 16133850 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 4448 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 4514 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 91933454 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| CHEMBL525610 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| DB06285 | 3710 | 10 | None | -3 | 4 | Rat | 8.1 | pIC50 | = | 8.1 | Functional | Drug Central | None | None | None | None | None | ||||
| 145705876 | 216018 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | Drug Central | 3958 | 142 | 61 | 55 | -15.4 | CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(N)=O | None | ||
| 5576 | 329 | 0 | None | - | 1 | Human | 4.5 | pIC50 | = | 4.5 | Functional | Guide to Pharmacology | None | None | None | None | 18946036 | ||||
| 5575 | 326 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 18946036 | ||||
| 12004 | 1455 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 610 | 6 | 2 | 5 | 6.8 | Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1 | 35487102 | ||
| 163358786 | 1455 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 610 | 6 | 2 | 5 | 6.8 | Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1 | 35487102 | ||
| CHEMBL5201424 | 1455 | 1 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | Guide to Pharmacology | 610 | 6 | 2 | 5 | 6.8 | Clc1cc2c(C(C(=O)N(c3c2ccc(c3)Cl)c2ccc(cc2)N2CC(C2)(F)CNC2CCC(CC2)C(=O)O)(C)C)nc1 | 35487102 | ||
| 129631922 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 132274287 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 132451761 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 155817470 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 16132393 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 16133850 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 4448 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 4514 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 91933454 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| CHEMBL525610 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| DB06285 | 3710 | 10 | None | 3 | 4 | Human | 7.4 | pIC50 | = | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 155817432 | 3170 | 0 | None | 70 | 3 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 16144017 | 3170 | 0 | None | 70 | 3 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1822 | 3170 | 0 | None | 70 | 3 | Rat | 8.0 | pIC50 | = | 8.0 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 155817433 | 3756 | 0 | None | 12 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11046116 | ||||
| 16134968 | 3756 | 0 | None | 12 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11046116 | ||||
| 1827 | 3756 | 0 | None | 12 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 11046116 | ||||
| 5574 | 327 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 18946036 | ||||
| 5573 | 328 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | Guide to Pharmacology | None | None | None | None | 18946036 | ||||
| 1794 | 1891 | 0 | None | -31 | 3 | Rat | 5.1 | pIC50 | None | 5.1 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1794 | 1891 | 0 | None | -19 | 3 | Human | 5.3 | pIC50 | None | 5.3 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1793 | 1890 | 0 | None | - | 1 | Rat | 6.4 | pIC50 | None | 6.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1790 | 3171 | 0 | None | 6 | 2 | Human | 6.5 | pIC50 | None | 6.5 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1815 | 3754 | 0 | None | -31 | 3 | Human | 6.9 | pIC50 | None | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 10854439 | ||||
| 1815 | 3754 | 0 | None | -31 | 3 | Human | 6.9 | pIC50 | None | 6.9 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 1821 | 1963 | 0 | None | 1 | 2 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 1807 | 3043 | 0 | None | 5 | 2 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1808 | 3799 | 0 | None | -2 | 2 | Human | 7.0 | pIC50 | None | 7 | Functional | Guide to Pharmacology | None | None | None | None | 9360953 | ||||
| 1816 | 3755 | 0 | None | - | 1 | Human | 7.1 | pIC50 | None | 7.1 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 129316189 | 3166 | 0 | None | -15 | 3 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 155817471 | 3166 | 0 | None | -15 | 3 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 16201228 | 3166 | 0 | None | -15 | 3 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 4449 | 3166 | 0 | None | -15 | 3 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 155817429 | 3172 | 0 | None | 3 | 2 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 11046116 | ||||
| 1814 | 3172 | 0 | None | 3 | 2 | Human | 7.2 | pIC50 | None | 7.2 | Functional | Guide to Pharmacology | None | None | None | None | 11046116 | ||||
| 1813 | 3820 | 0 | None | - | 1 | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 1809 | 3798 | 0 | None | -1 | 2 | Human | 7.3 | pIC50 | None | 7.3 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1819 | 1465 | 0 | None | 3 | 2 | Human | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11046116 | ||||
| 1795 | 1955 | 0 | None | - | 1 | Rat | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1804 | 1958 | 0 | None | - | 1 | Human | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1801 | 1962 | 0 | None | 3 | 2 | Human | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 155817431 | 3758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 16200083 | 3758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 1818 | 3758 | 0 | None | - | 1 | Human | 7.4 | pIC50 | None | 7.4 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 1797 | 1965 | 0 | None | -1 | 2 | Human | 7.5 | pIC50 | None | 7.5 | Functional | Guide to Pharmacology | None | None | None | None | 9360953 | ||||
| 1798 | 1959 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 1798 | 1959 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1799 | 1960 | 0 | None | 1 | 2 | Human | 7.6 | pIC50 | None | 7.6 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 155817427 | 3169 | 0 | None | 1 | 3 | Human | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1788 | 3169 | 0 | None | 1 | 3 | Human | 7.7 | pIC50 | None | 7.7 | Functional | Guide to Pharmacology | None | None | None | None | 8702701 | ||||
| 1787 | 3168 | 0 | None | - | 1 | Human | 7.8 | pIC50 | None | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 1800 | 1961 | 0 | None | 3 | 2 | Human | 7.8 | pIC50 | None | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 10537121 | ||||
| 1802 | 1966 | 0 | None | - | 1 | Rat | 7.8 | pIC50 | None | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1812 | 3819 | 0 | None | - | 1 | Rat | 7.8 | pIC50 | None | 7.8 | Functional | Guide to Pharmacology | None | None | None | None | 8662729 | ||||
| 1796 | 1954 | 0 | None | - | 1 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1806 | 2776 | 0 | None | - | 1 | Rat | 8.0 | pIC50 | None | 8 | Functional | Guide to Pharmacology | None | None | None | None | 8662729 | ||||
| 1805 | 2775 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | None | 8.1 | Functional | Guide to Pharmacology | None | None | None | None | 8662729 | ||||
| 1811 | 3818 | 0 | None | - | 1 | Rat | 8.2 | pIC50 | None | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 8662729 | ||||
| 1810 | 3817 | 0 | None | - | 1 | Human | 8.3 | pIC50 | None | 8.3 | Functional | Guide to Pharmacology | None | None | None | None | 11159842 | ||||
| 129631922 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 132274287 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 132451761 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 155817470 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 16132393 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 16133850 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 4448 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 4514 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 91933454 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| CHEMBL525610 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| DB06285 | 3710 | 10 | None | -3 | 4 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1803 | 1956 | 0 | None | - | 1 | Rat | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 1792 | 466 | 0 | None | - | 1 | Rat | 8.6 | pIC50 | None | 8.6 | Functional | Guide to Pharmacology | None | None | None | None | 7896796 | ||||
| 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 |
| 129631922 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 132274287 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 132451761 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 155817470 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 16132393 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 16133850 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 4448 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 4514 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 91933454 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| CHEMBL525610 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| DB06285 | 3710 | 10 | None | - | 0 | Human | 10.1 | pIC50 | = | 10.1 | Binding | ChEMBL | None | None | None | None | 10.1021/acs.jmedchem.8b00182 | ||||
| 44584918 | 188177 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935161 | 188177 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL505612 | 188177 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 2135 | 66 | 27 | 27 | -0.8 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL514849 | 213810 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL450474 | 212204 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 44584924 | 192844 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935164 | 192844 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL526677 | 192844 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 1980 | 59 | 25 | 25 | -0.4 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL499651 | 212318 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL506126 | 212420 | 10 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL506126 | 212420 | 10 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| CHEMBL526530 | 213905 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 66817788 | 163487 | 2 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 2.9 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.8b00182 | ||
| CHEMBL4208963 | 163487 | 2 | None | - | 0 | Human | 4.0 | pIC50 | = | 4.0 | Binding | ChEMBL | 517 | 6 | 2 | 5 | 2.9 | Cc1cc(N(C)C(N)=O)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C([C@H]1CC[C@H](C)CC1)NC2=O | 10.1021/acs.jmedchem.8b00182 | ||
| 44584923 | 192756 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 91935163 | 192756 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| CHEMBL525069 | 192756 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 2108 | 65 | 27 | 27 | -0.7 | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | 10.1073/pnas.0605125104 | ||
| 16220269 | 189058 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| CHEMBL515170 | 189058 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 361 | 3 | 1 | 2 | 4.4 | CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2c(ccc(F)c2F)NC1=O | 10.1073/pnas.0605125104 | ||
| 44270419 | 98078 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 4285 | 148 | 58 | 57 | -13.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\Cl)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL276472 | 98078 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 4285 | 148 | 58 | 57 | -13.3 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\Cl)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| 44270512 | 165260 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 4257 | 147 | 58 | 57 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\Cl)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL424859 | 165260 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 4257 | 147 | 58 | 57 | -14.0 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\Cl)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| 44270511 | 168458 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 4269 | 148 | 58 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\F)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL439458 | 168458 | 0 | None | - | 1 | Human | 8.9 | pKd | = | 8.9 | Binding | ChEMBL | 4269 | 148 | 58 | 57 | -13.6 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](/C=C(\F)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL506126 | 212420 | 10 | None | - | 1 | Human | 7.7 | pKd | = | 7.7 | Binding | ChEMBL | None | None | None | CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](Cc1cnc[nH]1)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](Cc1ccc(O)cc1)C(N)=O | 10.1073/pnas.0605125104 | ||||
| 44270513 | 166340 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 4241 | 147 | 58 | 57 | -14.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\F)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| CHEMBL428635 | 166340 | 0 | None | - | 1 | Human | 8.2 | pKd | = | 8.2 | Binding | ChEMBL | 4241 | 147 | 58 | 57 | -14.2 | CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)/C=C(\F)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)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](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)C(C)C)C(C)C)C(C)C | 10.1021/acs.jmedchem.7b01788 | ||
| 11963968 | 92689 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 586 | 7 | 2 | 4 | 8.2 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1CCc3ccccc3CC1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL244325 | 92689 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 586 | 7 | 2 | 4 | 8.2 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1CCc3ccccc3CC1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626730 | 142836 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 561 | 9 | 3 | 5 | 7.5 | Cc1cc2c(cc1NCc1ccccc1)C(C1CCCCC1)=NN(C)C(=O)N2c1ccc(NCCc2ncc[nH]2)cc1 | 10.1021/jm0707626 | ||
| CHEMBL389783 | 142836 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 561 | 9 | 3 | 5 | 7.5 | Cc1cc2c(cc1NCc1ccccc1)C(C1CCCCC1)=NN(C)C(=O)N2c1ccc(NCCc2ncc[nH]2)cc1 | 10.1021/jm0707626 | ||
| 23626731 | 142844 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 7.4 | Cc1cc2c(cc1OCc1ccccc1)C(C1CCCCC1)=NN(C)C(=O)N2c1ccc(NCCc2ncc[nH]2)cc1 | 10.1021/jm0707626 | ||
| CHEMBL389787 | 142844 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 562 | 9 | 2 | 5 | 7.4 | Cc1cc2c(cc1OCc1ccccc1)C(C1CCCCC1)=NN(C)C(=O)N2c1ccc(NCCc2ncc[nH]2)cc1 | 10.1021/jm0707626 | ||
| 44428092 | 149495 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 7.0 | Cc1ccc2c(c1)N(c1ccc(NC(=O)C(N)C(C)C)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL395054 | 149495 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 537 | 7 | 2 | 4 | 7.0 | Cc1ccc2c(c1)N(c1ccc(NC(=O)C(N)C(C)C)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626557 | 91856 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242784 | 91856 | 0 | None | 8 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 456 | 6 | 2 | 4 | 5.9 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626400 | 91855 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 5 | 3 | 3 | 6.4 | Cc1ccc2c(c1)N(c1ccc(NC(=N)N)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242778 | 91855 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 480 | 5 | 3 | 3 | 6.4 | Cc1ccc2c(c1)N(c1ccc(NC(=N)N)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626559 | 143876 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 6.3 | Cc1ccc2c(c1)N(c1ccc(NCCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL390628 | 143876 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 470 | 7 | 2 | 4 | 6.3 | Cc1ccc2c(c1)N(c1ccc(NCCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626097 | 91732 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 466 | 5 | 3 | 3 | 6.1 | N=C(N)Nc1cccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)c1 | 10.1021/jm0707626 | ||
| CHEMBL242391 | 91732 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 466 | 5 | 3 | 3 | 6.1 | N=C(N)Nc1cccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)c1 | 10.1021/jm0707626 | ||
| 23626399 | 91777 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 6.1 | O=C1N(Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1c1ccc(NC2=NCCN2)cc1 | 10.1021/jm0707626 | ||
| CHEMBL242590 | 91777 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 492 | 5 | 2 | 5 | 6.1 | O=C1N(Cc2ccccc2)N=C(C2CCCCC2)c2ccccc2N1c1ccc(NC2=NCCN2)cc1 | 10.1021/jm0707626 | ||
| 23626561 | 92359 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 7 | 2 | 4 | 6.6 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C(C)C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL243698 | 92359 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 484 | 7 | 2 | 4 | 6.6 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C(C)C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626403 | 91762 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 532 | 8 | 2 | 4 | 7.4 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL242567 | 91762 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 532 | 8 | 2 | 4 | 7.4 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626240 | 92817 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 5.5 | N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(c3ccccc3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| CHEMBL244930 | 92817 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 460 | 5 | 3 | 3 | 5.5 | N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(c3ccccc3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| 44428091 | 141504 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 523 | 7 | 2 | 4 | 6.7 | CC(C)C(N)C(=O)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| CHEMBL387792 | 141504 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 523 | 7 | 2 | 4 | 6.7 | CC(C)C(N)C(=O)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| 23626558 | 92847 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 442 | 5 | 2 | 4 | 5.8 | Cc1ccc2c(c1)N(c1ccc(NCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL245110 | 92847 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 442 | 5 | 2 | 4 | 5.8 | Cc1ccc2c(c1)N(c1ccc(NCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626241 | 92818 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 480 | 6 | 3 | 3 | 6.4 | N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(CC3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| CHEMBL244931 | 92818 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 480 | 6 | 3 | 3 | 6.4 | N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(CC3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| 23626891 | 92826 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 6.4 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1CCOCC1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL244956 | 92826 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 526 | 7 | 2 | 5 | 6.4 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1CCOCC1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626732 | 84673 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 588 | 7 | 2 | 5 | 7.0 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1CCc3ccccc3CC1)N=C2C1CCOCC1 | 10.1021/jm0707626 | ||
| CHEMBL224729 | 84673 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 588 | 7 | 2 | 5 | 7.0 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1CCc3ccccc3CC1)N=C2C1CCOCC1 | 10.1021/jm0707626 | ||
| 23626560 | 92496 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 6.6 | CCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O | 10.1021/jm0707626 | ||
| CHEMBL244074 | 92496 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 484 | 8 | 2 | 4 | 6.6 | CCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O | 10.1021/jm0707626 | ||
| 23626733 | 92774 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 458 | 6 | 2 | 5 | 4.7 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCOCC1 | 10.1021/jm0707626 | ||
| CHEMBL244735 | 92774 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 458 | 6 | 2 | 5 | 4.7 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C)N=C2C1CCOCC1 | 10.1021/jm0707626 | ||
| 23626243 | 91776 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 481 | 6 | 2 | 4 | 5.6 | NCC(=O)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| CHEMBL242589 | 91776 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 481 | 6 | 2 | 4 | 5.6 | NCC(=O)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| 23626402 | 166598 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 5 | 2 | 5 | 6.4 | Cc1ccc2c(c1)N(c1ccc(NC3=NCCN3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL429099 | 166598 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 506 | 5 | 2 | 5 | 6.4 | Cc1ccc2c(c1)N(c1ccc(NC3=NCCN3)cc1)C(=O)N(Cc1ccccc1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 12001598 | 148792 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 466 | 5 | 3 | 3 | 6.1 | N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| CHEMBL394513 | 148792 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 466 | 5 | 3 | 3 | 6.1 | N=C(N)Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 | 10.1021/jm0707626 | ||
| 23626734 | 141822 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 590 | 7 | 2 | 6 | 7.1 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1COc3ccccc3OC1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| CHEMBL388911 | 141822 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 590 | 7 | 2 | 6 | 7.1 | Cc1ccc2c(c1)N(c1ccc(NCCc3ncc[nH]3)cc1)C(=O)N(C1COc3ccccc3OC1)N=C2C1CCCCC1 | 10.1021/jm0707626 | ||
| 23626894 | 141505 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 9 | 2 | 5 | 5.9 | COCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O | 10.1021/jm0707626 | ||
| CHEMBL387793 | 141505 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 500 | 9 | 2 | 5 | 5.9 | COCCN1N=C(C2CCCCC2)c2ccc(C)cc2N(c2ccc(NCCc3ncc[nH]3)cc2)C1=O | 10.1021/jm0707626 | ||
| 44428090 | 141821 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 556 | 7 | 3 | 3 | 7.6 | N=C(N)Nc1ccc(Cc2ccc(N3C(=O)N(Cc4ccccc4)N=C(C4CCCCC4)c4ccccc43)cc2)cc1 | 10.1021/jm0707626 | ||
| CHEMBL388909 | 141821 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 556 | 7 | 3 | 3 | 7.6 | N=C(N)Nc1ccc(Cc2ccc(N3C(=O)N(Cc4ccccc4)N=C(C4CCCCC4)c4ccccc43)cc2)cc1 | 10.1021/jm0707626 | ||