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 |
| 56841989 | 211662 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 211662 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 56841989 | 211662 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 211662 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4288294 | 211720 | 0 | None | -3 | 2 | Human | 7.0 | pEC50 | = | 7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099727 | 209270 | 0 | None | -30 | 2 | Human | 7.0 | pEC50 | = | 7.0 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| 162676875 | 182980 | 0 | None | -1995 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
| CHEMBL4800389 | 182980 | 0 | None | -1995 | 2 | Human | 5.9 | pEC50 | = | 5.9 | Functional | ChEMBL | 4218 | 130 | 63 | 56 | -15.0 | CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.0c00740 | ||
| CHEMBL4277676 | 211617 | 0 | None | -31 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 211737 | 0 | None | -100 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4277676 | 211617 | 0 | None | -31 | 3 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 211737 | 0 | None | -100 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099723 | 209266 | 0 | None | -2 | 4 | Human | 6.8 | pEC50 | = | 6.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL3099722 | 209265 | 0 | None | -85 | 4 | Human | 6.7 | pEC50 | = | 6.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4284905 | 211692 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4284905 | 211692 | 0 | None | -12 | 4 | Human | 8.6 | pEC50 | = | 8.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL2110365 | 207459 | 4 | None | -213 | 3 | Human | 5.7 | pEC50 | = | 5.7 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
| CHEMBL4280392 | 211648 | 0 | None | -31 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4280392 | 211648 | 0 | None | -31 | 4 | Human | 6.6 | pEC50 | = | 6.6 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099721 | 209264 | 0 | None | -95 | 4 | Human | 7.5 | pEC50 | = | 7.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4277590 | 211615 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 12607 | 3713 | 37 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
| 16033 | 3713 | 37 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
| CHEMBL3559801 | 3713 | 37 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
| CHEMBL4277590 | 211615 | 0 | None | -1 | 3 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4279973 | 211643 | 0 | None | -19 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL3099724 | 209267 | 0 | None | -35 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4294418 | 211773 | 0 | None | -199 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4279973 | 211643 | 0 | None | -19 | 4 | Human | 8.4 | pEC50 | = | 8.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294418 | 211773 | 0 | None | -199 | 2 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL439904 | 212096 | 12 | None | -72 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
| CHEMBL3099724 | 209267 | 0 | None | -35 | 4 | Human | 7.4 | pEC50 | = | 7.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| CHEMBL4276961 | 211610 | 0 | None | -50 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4286615 | 211706 | 0 | None | -31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4276961 | 211610 | 0 | None | -50 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4286615 | 211706 | 0 | None | -31 | 4 | Human | 8.3 | pEC50 | = | 8.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4285633 | 211699 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294277 | 211772 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4285633 | 211699 | 0 | None | -6 | 2 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294277 | 211772 | 0 | None | -5 | 3 | Human | 7.3 | pEC50 | = | 7.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281010 | 211655 | 0 | None | -63 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281010 | 211655 | 0 | None | -63 | 2 | Human | 6.3 | pEC50 | = | 6.3 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4278700 | 211632 | 0 | None | -31 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4278700 | 211632 | 0 | None | -31 | 4 | Human | 8.2 | pEC50 | = | 8.2 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL429531 | 211779 | 12 | None | -29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | ||||
| CHEMBL4279794 | 211641 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 211755 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4279794 | 211641 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 211755 | 0 | None | -7 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282168 | 211671 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 211679 | 0 | None | -158 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282168 | 211671 | 0 | None | -158 | 2 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 211679 | 0 | None | -158 | 3 | Human | 6.1 | pEC50 | = | 6.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL439904 | 212096 | 12 | None | -72 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
| 22253974 | 65631 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836324 | 65631 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44271559 | 97692 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 5.1 | CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL273811 | 97692 | 0 | None | - | 1 | Human | 9.2 | pIC50 | = | 9.2 | Functional | ChEMBL | 418 | 7 | 2 | 6 | 5.1 | CCS(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 9908801 | 65626 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836319 | 65626 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44271542 | 64241 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.5 | CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL18163 | 64241 | 0 | None | - | 1 | Human | 9.1 | pIC50 | = | 9.1 | Functional | ChEMBL | 433 | 7 | 2 | 6 | 4.5 | CN(C)S(=O)(=O)Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 22325336 | 188361 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL508271 | 188361 | 1 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 11491176 | 198350 | 31 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL595573 | 198350 | 31 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
| 9887852 | 65629 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836322 | 65629 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44580050 | 183612 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL483251 | 183612 | 0 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 20587808 | 187263 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL496327 | 187263 | 0 | None | - | 1 | Human | 8.8 | pIC50 | = | 8.8 | Functional | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 12071667 | 187428 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497569 | 187428 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 22254068 | 65624 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65624 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651581 | 65633 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836326 | 65633 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254003 | 65622 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836315 | 65622 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| 57393057 | 70881 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956843 | 70881 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271459 | 59623 | 2 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17326 | 59623 | 2 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57391285 | 70908 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956938 | 70908 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)cn3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57399999 | 70906 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 316 | 5 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956935 | 70906 | 0 | None | - | 1 | Mouse | 6.0 | pIC50 | = | 6.0 | Functional | ChEMBL | 316 | 5 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2oc(NCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 24950871 | 177944 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL466756 | 177944 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 10969955 | 110086 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL325475 | 110086 | 0 | None | 1 | 2 | Human | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44271442 | 62903 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17911 | 62903 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CNc2nc(N)c3ccccc3n2)CC1)S(=O)(=O)c1cccc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 24950557 | 178234 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL469256 | 178234 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 9907999 | 164305 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164305 | 0 | None | - | 1 | Human | 7.9 | pIC50 | = | 7.9 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| 57398333 | 70904 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956933 | 70904 | 0 | None | - | 1 | Mouse | 5.9 | pIC50 | = | 5.9 | Functional | ChEMBL | 308 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(NC3CCCCC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57391273 | 70882 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956844 | 70882 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 370 | 4 | 1 | 5 | 4.4 | CCS(=O)(=O)c1ccc2oc(Nc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 2418871 | 70879 | 1 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 302 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956841 | 70879 | 1 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 302 | 4 | 1 | 5 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 10046270 | 62452 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784131 | 62452 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| 57391275 | 70887 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 5 | 1 | 7 | 4.1 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956850 | 70887 | 0 | None | - | 1 | Mouse | 6.8 | pIC50 | = | 6.8 | Functional | ChEMBL | 433 | 5 | 1 | 7 | 4.1 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)c(F)c3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271493 | 98116 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.6 | CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL276768 | 98116 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Functional | ChEMBL | 489 | 7 | 2 | 6 | 4.6 | CN(C[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57401791 | 70899 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956928 | 70899 | 0 | None | - | 1 | Mouse | 5.8 | pIC50 | = | 5.8 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3cc(NS(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 42630820 | 186485 | 7 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL491288 | 186485 | 7 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 44271549 | 60709 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 425 | 7 | 3 | 6 | 3.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17632 | 60709 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 425 | 7 | 3 | 6 | 3.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57396549 | 70902 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 4.5 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956931 | 70902 | 0 | None | - | 1 | Mouse | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 389 | 6 | 2 | 6 | 4.5 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)C(C)(C)C)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 9923839 | 186447 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL490937 | 186447 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44271565 | 97666 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL273597 | 97666 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271531 | 98381 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 489 | 8 | 3 | 6 | 5.0 | Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL278881 | 98381 | 0 | None | - | 1 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 489 | 8 | 3 | 6 | 5.0 | Nc1nc(NCC[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 1562 | 884 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 5312114 | 884 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17645 | 884 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL195380 | 884 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 2350190 | 51565 | 7 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1585484 | 51565 | 7 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271517 | 58712 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 4 | 7.2 | c1ccc(Nc2nc(Nc3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL16936 | 58712 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 394 | 5 | 2 | 4 | 7.2 | c1ccc(Nc2nc(Nc3ccc(C4CCCCC4)cc3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271450 | 166570 | 2 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL429053 | 166570 | 2 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57391274 | 70885 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 5 | 1 | 7 | 3.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956848 | 70885 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 387 | 5 | 1 | 7 | 3.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57401790 | 70896 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 332 | 5 | 1 | 6 | 3.4 | CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956925 | 70896 | 0 | None | - | 1 | Mouse | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 332 | 5 | 1 | 6 | 3.4 | CCOc1ccc(Nc2nc3cc(S(C)(=O)=O)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271541 | 59957 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 6.8 | CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17427 | 59957 | 0 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 499 | 7 | 2 | 5 | 6.8 | CN(C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)C(=O)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271532 | 59416 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17247 | 59416 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
| 9955360 | 98089 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 449 | 10 | 3 | 6 | 4.3 | Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL276551 | 98089 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 449 | 10 | 3 | 6 | 4.3 | Nc1nc(NCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 9907999 | 164305 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164305 | 0 | None | - | 1 | Human | 7.6 | pIC50 | = | 7.6 | Functional | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| 44271484 | 98354 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL278677 | 98354 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 22254020 | 65623 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836316 | 65623 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651572 | 65639 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836332 | 65639 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254050 | 65625 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836318 | 65625 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 25346026 | 70883 | 4 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956846 | 70883 | 4 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57399997 | 70895 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 416 | 5 | 1 | 8 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956923 | 70895 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 416 | 5 | 1 | 8 | 3.4 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271468 | 98421 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 485 | 7 | 3 | 5 | 6.4 | O=C(NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL279181 | 98421 | 0 | None | - | 1 | Human | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 485 | 7 | 3 | 5 | 6.4 | O=C(NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57403501 | 70880 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956842 | 70880 | 0 | None | - | 1 | Mouse | 6.5 | pIC50 | = | 6.5 | Functional | ChEMBL | 336 | 4 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271506 | 59684 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17352 | 59684 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271550 | 61026 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 10 | 2 | 7 | 6.9 | CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17686 | 61026 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 462 | 10 | 2 | 7 | 6.9 | CCOP(=O)(Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1)OCC | 10.1016/s0960-894x(00)00177-3 | ||
| 1202745 | 188405 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL508770 | 188405 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 22254131 | 65606 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836103 | 65606 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 57403512 | 70901 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956930 | 70901 | 0 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 361 | 7 | 2 | 6 | 3.7 | CCOc1ccc(Nc2nc3ccc(NS(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 9884833 | 110050 | 36 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL325226 | 110050 | 36 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 44271486 | 162661 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL418359 | 162661 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCCC(CNS(=O)(=O)c3cccc4ccccc34)C2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271529 | 58766 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL16965 | 58766 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 469 | 7 | 3 | 6 | 4.5 | Nc1nc(NCc2cccc(CNS(=O)(=O)c3cccc4ccccc34)c2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271525 | 59854 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 423 | 6 | 3 | 5 | 5.1 | CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17398 | 59854 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 423 | 6 | 3 | 5 | 5.1 | CC(=O)NC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271478 | 60102 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 501 | 8 | 3 | 6 | 5.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17521 | 60102 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 501 | 8 | 3 | 6 | 5.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc(Nc4ccccc4)c4ccccc4n3)CC2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271487 | 98452 | 4 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL279408 | 98452 | 4 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271638 | 60068 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 6 | 6.0 | O=C(O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17496 | 60068 | 0 | None | - | 1 | Human | 6.4 | pIC50 | = | 6.4 | Functional | ChEMBL | 438 | 6 | 2 | 6 | 6.0 | O=C(O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 22254119 | 65621 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836314 | 65621 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| 44271637 | 59284 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 11 | 3 | 6 | 4.7 | Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17196 | 59284 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 463 | 11 | 3 | 6 | 4.7 | Nc1nc(NCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 9886706 | 178056 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL467558 | 178056 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 44271592 | 61045 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 477 | 12 | 3 | 6 | 5.1 | Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17701 | 61045 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 477 | 12 | 3 | 6 | 5.1 | Nc1nc(NCCCCCCCCNS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 57394791 | 70900 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3ccc(S(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956929 | 70900 | 0 | None | - | 1 | Mouse | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3ccc(S(=O)(=O)CC)cc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271562 | 98224 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 5 | 3 | 6 | 4.1 | Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL277551 | 98224 | 0 | None | - | 1 | Human | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 447 | 5 | 3 | 6 | 4.1 | Nc1nc(N[C@H]2CCCC[C@H]2NS(=O)(=O)c2cccc3ccccc23)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 56683832 | 65630 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836323 | 65630 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 25067562 | 186378 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL490427 | 186378 | 0 | None | - | 1 | Human | 8.3 | pIC50 | = | 8.3 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| 44271691 | 62914 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17914 | 62914 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 318 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(NC3CCCCC3)nc3ccccc23)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 2387945 | 43457 | 7 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1510429 | 43457 | 7 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271482 | 59938 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 461 | 6 | 2 | 6 | 4.3 | Nc1nc(NCCC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17417 | 59938 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 461 | 6 | 2 | 6 | 4.3 | Nc1nc(NCCC2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/s0960-894x(00)00177-3 | ||
| 44271467 | 60016 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 6 | 3 | 5 | 5.2 | CNC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17454 | 60016 | 0 | None | - | 1 | Human | 6.3 | pIC50 | = | 6.3 | Functional | ChEMBL | 395 | 6 | 3 | 5 | 5.2 | CNC[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57403513 | 70903 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 458 | 5 | 2 | 7 | 4.7 | C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956932 | 70903 | 0 | None | - | 1 | Mouse | 5.3 | pIC50 | = | 5.3 | Functional | ChEMBL | 458 | 5 | 2 | 7 | 4.7 | C[C@H]1CN(c2ccc(Nc3nc4ccc(NS(=O)(=O)C(C)(C)C)cc4o3)cc2)C[C@@H](C)O1 | 10.1016/j.bmcl.2012.01.027 | ||
| 24950710 | 178227 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL469173 | 178227 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 44271533 | 59790 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 5.5 | CC(=O)N(C)C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17395 | 59790 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 437 | 6 | 2 | 5 | 5.5 | CC(=O)N(C)C[C@H]1CC[C@H](Nc2nc(Nc3ccc(Cl)cc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 22639804 | 98086 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 5 | 2 | 6 | 4.7 | CC(=O)O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL276530 | 98086 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 376 | 5 | 2 | 6 | 4.7 | CC(=O)O[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ccccc3n2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 9884833 | 110050 | 36 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL325226 | 110050 | 36 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 9887225 | 186555 | 3 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL491930 | 186555 | 3 | None | -2 | 3 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 1565 | 2168 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| 624746 | 2168 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| CHEMBL491762 | 2168 | 15 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| 24950556 | 188871 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL513701 | 188871 | 0 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 10110741 | 187407 | 3 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497359 | 187407 | 3 | None | - | 1 | Human | 5.2 | pIC50 | = | 5.2 | Functional | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 57403511 | 70898 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 374 | 5 | 1 | 6 | 4.5 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956927 | 70898 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 374 | 5 | 1 | 6 | 4.5 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 57393069 | 70909 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 5 | 1 | 8 | 2.6 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956939 | 70909 | 0 | None | - | 1 | Mouse | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 388 | 5 | 1 | 8 | 2.6 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4CCOCC4)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44579887 | 192481 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL522589 | 192481 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
| 25211875 | 192038 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL521750 | 192038 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
| 57328464 | 70886 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956849 | 70886 | 0 | None | - | 1 | Mouse | 7.2 | pIC50 | = | 7.2 | Functional | ChEMBL | 415 | 5 | 1 | 7 | 4.0 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44271437 | 98000 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 1 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL275845 | 98000 | 0 | None | - | 1 | Human | 6.2 | pIC50 | = | 6.2 | Functional | ChEMBL | 503 | 7 | 1 | 6 | 4.9 | CN(C[C@H]1CC[C@H](CN(C)S(=O)(=O)c2cccc3ccccc23)CC1)c1nc(N)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| 57396550 | 70905 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956934 | 70905 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 364 | 4 | 1 | 5 | 4.6 | CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 2418891 | 50724 | 6 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1578465 | 50724 | 6 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 24950714 | 178112 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL468225 | 178112 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 57398334 | 70907 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956937 | 70907 | 0 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 371 | 4 | 1 | 6 | 3.8 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(F)(F)F)nc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 10047509 | 62451 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784130 | 62451 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 9801629 | 65632 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836325 | 65632 | 0 | None | - | 1 | Human | 8.1 | pIC50 | = | 8.1 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 213847 | 60050 | 7 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17483 | 60050 | 7 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 312 | 4 | 2 | 4 | 5.1 | c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
| 9803547 | 178054 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL467550 | 178054 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 24950712 | 188768 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL512787 | 188768 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 57393058 | 70884 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956847 | 70884 | 0 | None | - | 1 | Mouse | 8.0 | pIC50 | = | 8.0 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
| 9847327 | 65628 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836321 | 65628 | 0 | None | - | 1 | Human | 8.0 | pIC50 | = | 8 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44577739 | 188792 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL512996 | 188792 | 0 | None | - | 1 | Human | 7.1 | pIC50 | = | 7.1 | Functional | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 20651605 | 65627 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836320 | 65627 | 0 | None | - | 1 | Human | 7.0 | pIC50 | = | 7.0 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 57399998 | 70897 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| CHEMBL1956926 | 70897 | 0 | None | - | 1 | Mouse | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 360 | 6 | 1 | 6 | 4.2 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)C)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
| 44158542 | 17348 | 0 | None | - | 0 | Human | 10.6 | pKi | = | 10.6 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257993 | 17348 | 0 | None | - | 0 | Human | 10.6 | pKi | = | 10.6 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3cnc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 24994659 | 17383 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258111 | 17383 | 0 | None | - | 0 | Human | 10.5 | pKi | = | 10.5 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccn(-c4ccccc4F)n3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52944983 | 17414 | 0 | None | - | 0 | Human | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258225 | 17414 | 0 | None | - | 0 | Human | 10.4 | pKi | = | 10.4 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cncnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158762 | 17347 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257992 | 17347 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52941430 | 17445 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258341 | 17445 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cnccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158764 | 17592 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258787 | 17592 | 0 | None | - | 0 | Human | 10.2 | pKi | = | 10.2 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1ccccc1-c1ccc(NC[C@H]2CC[C@]3(CC2)CN(c2cccnn2)C(=O)O3)nn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 24996879 | 17382 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258110 | 17382 | 0 | None | - | 0 | Human | 10.1 | pKi | = | 10.1 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3nc(-c4ccccn4)cs3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52942650 | 17244 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257636 | 17244 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 421 | 5 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52942663 | 17444 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 439 | 5 | 1 | 6 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258340 | 17444 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 439 | 5 | 1 | 6 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.08.041 | ||
| 52942671 | 17482 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258453 | 17482 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158763 | 17555 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 4.2 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258674 | 17555 | 0 | None | - | 0 | Human | 10.0 | pKi | = | 10 | Functional | ChEMBL | 452 | 5 | 1 | 7 | 4.2 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4cc(F)cc(F)c4)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44159473 | 17245 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257637 | 17245 | 0 | None | - | 0 | Human | 9.9 | pKi | = | 9.9 | Functional | ChEMBL | 421 | 5 | 1 | 7 | 4.6 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4nccs4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44159236 | 17282 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.9 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257760 | 17282 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 416 | 5 | 1 | 7 | 3.9 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44159353 | 17283 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 408 | 6 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257761 | 17283 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 408 | 6 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](CNc3ccc(OC4CCC4)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52950004 | 17554 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258673 | 17554 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 25071621 | 18893 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289154 | 18893 | 0 | None | - | 0 | Human | 9.8 | pKi | = | 9.8 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.5 | O=C1OC2(CCN(c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 52948742 | 17483 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258454 | 17483 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 422 | 5 | 1 | 7 | 3.8 | O=C1O[C@]2(CC[C@H](CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1ccnnc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 52948986 | 17519 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 5 | 1 | 8 | 4.2 | Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258562 | 17519 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 5 | 1 | 8 | 4.2 | Cc1nnc(N2C[C@]3(CC[C@@H](CNc4cnn(-c5ccccc5F)c4)CC3)OC2=O)s1 | 10.1016/j.bmcl.2010.08.041 | ||
| 25071620 | 18892 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 5.4 | O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289153 | 18892 | 0 | None | - | 0 | Human | 9.7 | pKi | = | 9.7 | Functional | ChEMBL | 442 | 3 | 1 | 4 | 5.4 | O=C1OC2(CCN(c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 44160200 | 17593 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258788 | 17593 | 0 | None | - | 0 | Human | 9.6 | pKi | = | 9.6 | Functional | ChEMBL | 430 | 5 | 1 | 7 | 4.2 | Cc1cccc(-c2ccc(NC[C@H]3CC[C@]4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44158545 | 17413 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258224 | 17413 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 433 | 5 | 1 | 6 | 4.7 | O=C1O[C@]2(CC[C@H](CNc3ncc(-c4ccccc4F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 44160199 | 17625 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258907 | 17625 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 434 | 5 | 1 | 7 | 4.1 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 25071310 | 18907 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289267 | 18907 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 431 | 3 | 1 | 4 | 5.5 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072880 | 18927 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289386 | 18927 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccc(F)cc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073190 | 19016 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 372 | 2 | 1 | 4 | 4.5 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290037 | 19016 | 0 | None | - | 0 | Human | 9.5 | pKi | = | 9.5 | Functional | ChEMBL | 372 | 2 | 1 | 4 | 4.5 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862239 | 14825 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.1 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209159 | 14825 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 404 | 6 | 1 | 5 | 4.1 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072875 | 18958 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289609 | 18958 | 0 | None | - | 0 | Human | 9.4 | pKi | = | 9.4 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1cccc(N2C[C@]3(CC[C@@H](c4nc5cc(OC(F)(F)F)ccc5[nH]4)CC3)OC2=O)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 52943793 | 17207 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 4.7 | Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257520 | 17207 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 435 | 5 | 1 | 6 | 4.7 | Cc1ncccc1N1C[C@]2(CC[C@@H](CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O | 10.1016/j.bmcl.2010.08.041 | ||
| 49862241 | 14828 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209162 | 14828 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862400 | 14869 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 398 | 6 | 1 | 5 | 4.3 | Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209345 | 14869 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 398 | 6 | 1 | 5 | 4.3 | Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25073189 | 18908 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289268 | 18908 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 449 | 3 | 1 | 4 | 5.7 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1F | 10.1016/j.bmcl.2010.09.064 | ||
| 25071931 | 18991 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289820 | 18991 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 415 | 2 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072877 | 19017 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 390 | 2 | 1 | 4 | 4.6 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290038 | 19017 | 0 | None | - | 0 | Human | 9.2 | pKi | = | 9.2 | Functional | ChEMBL | 390 | 2 | 1 | 4 | 4.6 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccc(F)cc3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862240 | 14826 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209160 | 14826 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C(N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C1(c2ccccc2)CC1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862289 | 14839 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209216 | 14839 | 0 | None | - | 0 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 416 | 6 | 1 | 5 | 4.1 | O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 22253974 | 65631 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836324 | 65631 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 6 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 9887852 | 65629 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836322 | 65629 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Functional | ChEMBL | 411 | 9 | 2 | 5 | 4.0 | CCS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 44159235 | 17317 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257881 | 17317 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 406 | 4 | 1 | 5 | 4.5 | O=C1O[C@]2(CC[C@H](CNc3ccc(C(F)(F)F)cn3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 49862157 | 14807 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 394 | 5 | 1 | 5 | 3.8 | O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209052 | 14807 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 394 | 5 | 1 | 5 | 3.8 | O=C(c1cccc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862200 | 14814 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209101 | 14814 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862200 | 14815 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209102 | 14815 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 3.6 | O=C(Cc1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 9845943 | 65636 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836329 | 65636 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 9888553 | 65638 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 423 | 5 | 2 | 5 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836331 | 65638 | 0 | None | - | 0 | Human | 9.0 | pKi | = | 9.0 | Functional | ChEMBL | 423 | 5 | 2 | 5 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 49862401 | 14870 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 376 | 6 | 1 | 5 | 4.6 | CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209346 | 14870 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 376 | 6 | 1 | 5 | 4.6 | CC(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25071929 | 18873 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289038 | 18873 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 426 | 2 | 1 | 4 | 4.3 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073191 | 18943 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289503 | 18943 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25073801 | 18975 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289714 | 18975 | 0 | None | - | 0 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 9908801 | 65626 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836319 | 65626 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 397 | 8 | 2 | 5 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254068 | 65624 | 24 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65624 | 24 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254068 | 65624 | 24 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836317 | 65624 | 24 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 44159706 | 17520 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 417 | 5 | 1 | 8 | 3.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1258563 | 17520 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 417 | 5 | 1 | 8 | 3.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ncccn4)cn3)CC2)CN1c1cccnn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 49862158 | 14808 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.9 | O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209053 | 14808 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 412 | 5 | 1 | 5 | 3.9 | O=C(c1cc(F)cc(F)c1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862339 | 14852 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 362 | 6 | 1 | 5 | 4.0 | c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209280 | 14852 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 362 | 6 | 1 | 5 | 4.0 | c1ccc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072242 | 19127 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290706 | 19127 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 4.6 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 22254110 | 65637 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 8 | 2 | 6 | 3.7 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836330 | 65637 | 0 | None | - | 0 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 415 | 8 | 2 | 6 | 3.7 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254020 | 65623 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836316 | 65623 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 491 | 6 | 2 | 7 | 5.5 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2011.06.124 | ||
| 24987242 | 17099 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257173 | 17099 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.08.041 | ||
| 24987242 | 17099 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1257173 | 17099 | 0 | None | - | 0 | Human | 8.7 | pKi | = | 8.7 | Functional | ChEMBL | 435 | 3 | 1 | 6 | 4.2 | O=C(Nc1nc(-c2ccccn2)cs1)N1CCC2(CC1)CN(c1ccccc1)C(=O)O2 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862337 | 14850 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.1 | c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209278 | 14850 | 0 | None | - | 0 | Human | 6.0 | pKi | = | 6 | Functional | ChEMBL | 272 | 4 | 2 | 5 | 2.1 | c1ccc(-c2csc(NC[C@@H]3[C@H]4CNC[C@H]43)n2)nc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 10872843 | 102452 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL306277 | 102452 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Functional | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 49862156 | 14805 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209050 | 14805 | 0 | None | - | 0 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 22254119 | 65621 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836314 | 65621 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Functional | ChEMBL | 535 | 6 | 2 | 6 | 6.6 | O=S(=O)(NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1)c1cccc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| 4527770 | 14871 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1209347 | 14871 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.08.041 | ||
| 4527770 | 14871 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209347 | 14871 | 5 | None | - | 0 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 321 | 3 | 1 | 4 | 5.0 | FC(F)(F)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 20651572 | 65639 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836332 | 65639 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 407 | 5 | 2 | 6 | 3.3 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCOc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 9982218 | 101281 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL1435188 | 101281 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL299879 | 101281 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 25071930 | 18874 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289039 | 18874 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 366 | 2 | 1 | 4 | 3.7 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072244 | 18990 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289819 | 18990 | 0 | None | - | 0 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 450 | 3 | 1 | 5 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1F | 10.1016/j.bmcl.2010.09.064 | ||
| 20651606 | 65634 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836327 | 65634 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 427 | 9 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 49862155 | 14804 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 342 | 5 | 1 | 5 | 3.0 | CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209049 | 14804 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 342 | 5 | 1 | 5 | 3.0 | CC(C)C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862156 | 14806 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209051 | 14806 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 376 | 5 | 1 | 5 | 3.6 | O=C(c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072245 | 18942 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 465 | 3 | 1 | 4 | 6.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1Cl | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289502 | 18942 | 0 | None | - | 0 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 465 | 3 | 1 | 4 | 6.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccc1Cl | 10.1016/j.bmcl.2010.09.064 | ||
| 22254050 | 65625 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836318 | 65625 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 22254003 | 65622 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836315 | 65622 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Functional | ChEMBL | 489 | 6 | 2 | 8 | 4.1 | Cn1cnc(S(=O)(=O)NC[C@H]2CC[C@H](Nc3nc4c(s3)CCSc3ccccc3-4)CC2)c1 | 10.1016/j.bmcl.2011.06.124 | ||
| 9885994 | 203378 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77639 | 203378 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 25072246 | 18976 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289715 | 18976 | 0 | None | - | 0 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 432 | 3 | 1 | 5 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)CN1c1cccnc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 46927904 | 14798 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 2.3 | CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1208996 | 14798 | 0 | None | - | 0 | Human | 5.6 | pKi | = | 5.6 | Functional | ChEMBL | 314 | 4 | 1 | 5 | 2.3 | CC(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 9801629 | 65632 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836325 | 65632 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Functional | ChEMBL | 409 | 4 | 2 | 5 | 3.7 | CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651581 | 65633 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836326 | 65633 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Functional | ChEMBL | 451 | 8 | 2 | 5 | 4.1 | O=S(=O)(CC(F)(F)F)NCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 49862338 | 14851 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 328 | 6 | 1 | 5 | 3.5 | CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209279 | 14851 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 328 | 6 | 1 | 5 | 3.5 | CC(C)CN1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862340 | 14853 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 4.6 | Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209281 | 14853 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 390 | 6 | 1 | 5 | 4.6 | Cc1cc(C)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25074110 | 19002 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 434 | 2 | 1 | 4 | 5.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289937 | 19002 | 0 | None | - | 0 | Human | 8.4 | pKi | = | 8.4 | Functional | ChEMBL | 434 | 2 | 1 | 4 | 5.2 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1cccc(F)n1 | 10.1016/j.bmcl.2010.09.064 | ||
| 49862336 | 14849 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 384 | 5 | 1 | 6 | 2.7 | O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209277 | 14849 | 0 | None | - | 0 | Human | 7.5 | pKi | = | 7.5 | Functional | ChEMBL | 384 | 5 | 1 | 6 | 2.7 | O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25022356 | 19128 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290707 | 19128 | 0 | None | - | 0 | Human | 6.5 | pKi | = | 6.5 | Functional | ChEMBL | 348 | 2 | 1 | 4 | 3.6 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)CN1c1ccccc1 | 10.1016/j.bmcl.2010.09.064 | ||
| 22254131 | 65606 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836103 | 65606 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 529 | 7 | 2 | 7 | 5.7 | COc1ccc(C)cc1S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
| 20651605 | 65627 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836320 | 65627 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 425 | 9 | 2 | 5 | 4.3 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 10429613 | 162775 | 0 | None | 60 | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL419086 | 162775 | 0 | None | 60 | 2 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 44158441 | 17318 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 5.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| CHEMBL1257882 | 17318 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 5 | 1 | 5 | 5.3 | O=C1O[C@]2(CC[C@H](CNc3ccc(-c4ccccc4F)nc3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.08.041 | ||
| 49862198 | 14813 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209100 | 14813 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1cccnc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862288 | 14838 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 7 | 1 | 5 | 4.8 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209215 | 14838 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 432 | 7 | 1 | 5 | 4.8 | CC(C(=O)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1)C(C)c1ccccc1 | 10.1016/j.bmcl.2010.06.140 | ||
| 49862290 | 14841 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.5 | O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209218 | 14841 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.5 | O=C(C1CCCO1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25072243 | 18928 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 445 | 3 | 1 | 4 | 5.8 | Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289387 | 18928 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 445 | 3 | 1 | 4 | 5.8 | Cc1ccccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| 25072876 | 19001 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289936 | 19001 | 0 | None | - | 0 | Human | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 416 | 2 | 1 | 4 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)CN1c1ccccn1 | 10.1016/j.bmcl.2010.09.064 | ||
| 54752621 | 67462 | 0 | None | - | 0 | Rat | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909725 | 67462 | 0 | None | - | 0 | Rat | 8.3 | pKi | = | 8.3 | Functional | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 49862199 | 14784 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1208795 | 14784 | 0 | None | - | 0 | Human | 7.3 | pKi | = | 7.3 | Functional | ChEMBL | 377 | 5 | 1 | 6 | 3.0 | O=C(c1ccncc1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 11824961 | 203449 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL78265 | 203449 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Functional | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 49862241 | 14827 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209161 | 14827 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 404 | 7 | 1 | 5 | 4.0 | O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 20651616 | 65635 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836328 | 65635 | 0 | None | - | 0 | Human | 8.2 | pKi | = | 8.2 | Functional | ChEMBL | 437 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)OCCc1sc(NC[C@H]3CC[C@H](NS(C)(=O)=O)CC3)nc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 9847327 | 65628 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836321 | 65628 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 465 | 9 | 2 | 5 | 4.5 | O=S(=O)(CC(F)(F)F)NCCCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 46927903 | 14840 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.4 | O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| CHEMBL1209217 | 14840 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 370 | 5 | 1 | 6 | 2.4 | O=C(C1CCOC1)N1C[C@H]2[C@@H](CNc3nc(-c4ccccn4)cs3)[C@H]2C1 | 10.1016/j.bmcl.2010.06.140 | ||
| 25073188 | 19032 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 373 | 2 | 1 | 5 | 3.9 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1290147 | 19032 | 0 | None | - | 0 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 373 | 2 | 1 | 5 | 3.9 | N#Cc1ccc2[nH]c([C@H]3CC[C@]4(CC3)CN(c3ccccn3)C(=O)O4)nc2c1 | 10.1016/j.bmcl.2010.09.064 | ||
| 25072568 | 18959 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| CHEMBL1289610 | 18959 | 0 | None | - | 0 | Human | 7.1 | pKi | = | 7.1 | Functional | ChEMBL | 446 | 3 | 1 | 5 | 5.2 | Cc1ncccc1N1C[C@]2(CC[C@@H](c3nc4cc(OC(F)(F)F)ccc4[nH]3)CC2)OC1=O | 10.1016/j.bmcl.2010.09.064 | ||
| 56683832 | 65630 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836323 | 65630 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
| 1522 | 333 | 0 | None | 1 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 1522 | 333 | 0 | None | -1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 11589975 | 1636 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 390 | 5 | 1 | 3 | 5.2 | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C | 16436501 | ||
| 1563 | 1636 | 0 | None | - | 1 | Human | 8.4 | pIC50 | None | 8.4 | Functional | Guide to Pharmacology | 390 | 5 | 1 | 3 | 5.2 | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C | 16436501 | ||
| 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 |
| 56841989 | 211662 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 211662 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 56841989 | 211662 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 211662 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4280392 | 211648 | 0 | None | - | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 211679 | 0 | None | - | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4276961 | 211610 | 0 | None | - | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4276961 | 211610 | 0 | None | - | 4 | Mouse | 8.6 | pEC50 | = | 8.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4280392 | 211648 | 0 | None | - | 4 | Mouse | 6.7 | pEC50 | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 211679 | 0 | None | - | 4 | Mouse | 5.7 | pEC50 | = | 5.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 211755 | 0 | None | - | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 211755 | 0 | None | - | 4 | Mouse | 7.6 | pEC50 | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287058 | 211709 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 211737 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287058 | 211709 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 211737 | 0 | None | - | 4 | Mouse | 6.2 | pEC50 | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 70675708 | 127947 | 0 | None | - | 0 | Mouse | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 378 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | ||
| CHEMBL3666784 | 127947 | 0 | None | - | 0 | Mouse | 9.9 | pIC50 | = | 9.9 | Binding | ChEMBL | 378 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | ||
| 70682528 | 76534 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070148 | 76534 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 70695120 | 76537 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070151 | 76537 | 0 | None | - | 0 | Mouse | 9.8 | pIC50 | = | 9.8 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 70675728 | 127950 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3F)no2)CC1 | nan | ||
| CHEMBL3666787 | 127950 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3F)no2)CC1 | nan | ||
| 10758227 | 118460 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.9 | CCCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| CHEMBL342438 | 118460 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 286 | 5 | 1 | 3 | 3.9 | CCCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| 70675706 | 127945 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| CHEMBL3666782 | 127945 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 396 | 7 | 2 | 6 | 3.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| 18004956 | 186611 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 453 | 2 | 1 | 3 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492370 | 186611 | 0 | None | - | 0 | Human | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 453 | 2 | 1 | 3 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 70688847 | 76433 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2069316 | 76433 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(C)c(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 71453237 | 80922 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.5 | O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159167 | 80922 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 425 | 4 | 1 | 5 | 3.5 | O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 70675705 | 127944 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| CHEMBL3666781 | 127944 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| 70675727 | 127949 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | ||
| CHEMBL3666786 | 127949 | 0 | None | - | 0 | Mouse | 9.7 | pIC50 | = | 9.7 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | ||
| 70675729 | 127951 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 | nan | ||
| CHEMBL3666788 | 127951 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cc(F)cc(F)c3)no2)CC1 | nan | ||
| 10255890 | 97998 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 5.4 | O=C(Nc1ccc(Cl)c2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL275841 | 97998 | 0 | None | - | 0 | Human | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 513 | 4 | 1 | 5 | 5.4 | O=C(Nc1ccc(Cl)c2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 68613905 | 124909 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.8 | O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | ||
| CHEMBL3646136 | 124909 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.8 | O=C(N[C@H]1CC[C@@H](c2nc(-c3ccc(Cl)c(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | ||
| 71454971 | 80920 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159165 | 80920 | 0 | None | - | 0 | Mouse | 9.6 | pIC50 | = | 9.6 | Binding | ChEMBL | 399 | 5 | 1 | 5 | 3.6 | CC(C)CS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 70688848 | 76547 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070161 | 76547 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 433 | 4 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)CC(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | ||
| 71458601 | 80913 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 383 | 5 | 1 | 4 | 4.1 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159158 | 80913 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 383 | 5 | 1 | 4 | 4.1 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 10471957 | 25370 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 332 | 2 | 1 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4o3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL135143 | 25370 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 332 | 2 | 1 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4o3)cc2n1 | 10.1021/jm000269t | ||
| 10712643 | 29158 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)cc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL138379 | 29158 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(F)cc3)cc2n1 | 10.1021/jm000269t | ||
| 10783815 | 118764 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(F)c3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL343817 | 118764 | 0 | None | - | 0 | Human | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(F)c3)cc2n1 | 10.1021/jm000269t | ||
| 70697155 | 76543 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070157 | 76543 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3ccnc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 70675703 | 127942 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | ||
| CHEMBL3666779 | 127942 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | ||
| 70675704 | 127943 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 364 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | ||
| CHEMBL3666780 | 127943 | 0 | None | - | 0 | Mouse | 9.5 | pIC50 | = | 9.5 | Binding | ChEMBL | 364 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccccc3)no2)CC1 | nan | ||
| 11793187 | 27992 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137378 | 27992 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)cc(F)c3)cc2n1 | 10.1021/jm000269t | ||
| 10266238 | 170228 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.7 | Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL445328 | 170228 | 0 | None | - | 0 | Human | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.7 | Cc1nc(N2CC=CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 68059511 | 124919 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 5 | 1 | 6 | 5.2 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 | nan | ||
| CHEMBL3646146 | 124919 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 463 | 5 | 1 | 6 | 5.2 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccn4)CC3)ccc21 | nan | ||
| 66575661 | 76526 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070140 | 76526 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 56835982 | 80917 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159162 | 80917 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 56835982 | 80917 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2159162 | 80917 | 0 | None | - | 0 | Mouse | 9.4 | pIC50 | = | 9.4 | Binding | ChEMBL | 371 | 4 | 1 | 5 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 56649677 | 76523 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.7 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070137 | 76523 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.7 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 9868487 | 201090 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL62166 | 201090 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1016/s0960-894x(01)00448-6 | ||
| 9868487 | 201090 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm980521l | ||
| CHEMBL62166 | 201090 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 452 | 4 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm980521l | ||
| 10736124 | 28084 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL137449 | 28084 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 10040233 | 118695 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(-c3ccc(C)o3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL343318 | 118695 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 296 | 2 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(-c3ccc(C)o3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 89986727 | 127958 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 2.7 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 | nan | ||
| CHEMBL3666794 | 127958 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 374 | 7 | 2 | 6 | 2.7 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CCCC3)no2)CC1 | nan | ||
| 10915401 | 203427 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 5.0 | CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL78089 | 203427 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 361 | 6 | 1 | 3 | 5.0 | CC(Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 70697153 | 76533 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070147 | 76533 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10030142 | 57831 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL167991 | 57831 | 0 | None | - | 0 | Human | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 537 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 70684603 | 76541 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070155 | 76541 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccn3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 68601225 | 123870 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 453 | 5 | 1 | 6 | 5.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 | nan | ||
| CHEMBL3639450 | 123870 | 0 | None | - | 0 | Mouse | 9.3 | pIC50 | = | 9.3 | Binding | ChEMBL | 453 | 5 | 1 | 6 | 5.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)ccc21 | nan | ||
| 18004895 | 187087 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL495169 | 187087 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 18004895 | 187087 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL495169 | 187087 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 68598300 | 124921 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 456 | 4 | 1 | 6 | 3.7 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 | nan | ||
| CHEMBL3646148 | 124921 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 456 | 4 | 1 | 6 | 3.7 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](N2c3ccccc3OS2(=O)=O)CC1 | nan | ||
| 44271202 | 58806 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL16986 | 58806 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44271276 | 59625 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17327 | 59625 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71454968 | 80911 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159156 | 80911 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 91755094 | 127962 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 | nan | ||
| CHEMBL3666798 | 127962 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(C)CC(F)(F)C3)no2)CC1 | nan | ||
| 9930807 | 195913 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL570633 | 195913 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 89986736 | 127966 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 420 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | ||
| CHEMBL3666801 | 127966 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 420 | 7 | 2 | 6 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | ||
| 68606925 | 124908 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 5 | 2 | 4 | 4.3 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 | nan | ||
| CHEMBL3646135 | 124908 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 389 | 5 | 2 | 4 | 4.3 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 | nan | ||
| 9908945 | 192450 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL522388 | 192450 | 0 | None | - | 0 | Rat | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 68059308 | 124918 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 5.6 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 | nan | ||
| CHEMBL3646145 | 124918 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 487 | 5 | 1 | 6 | 5.6 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)ccc21 | nan | ||
| 9957190 | 196525 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 489 | 4 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL575214 | 196525 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 489 | 4 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 68594586 | 124920 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 4.6 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 | nan | ||
| CHEMBL3646147 | 124920 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 414 | 5 | 1 | 5 | 4.6 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Oc2cc(Cl)ccn2)CC1 | nan | ||
| 44583541 | 192688 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL524085 | 192688 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 10786956 | 27574 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137086 | 27574 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 | 10.1021/jm000269t | ||
| 9882119 | 118046 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.5 | Cc1nc(N2CCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL341563 | 118046 | 1 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.5 | Cc1nc(N2CCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 89986726 | 127956 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 7 | 2 | 6 | 4.1 | CC(C)(c1ccccc1)c1noc(N[C@H]2CC[C@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 | nan | ||
| CHEMBL3666792 | 127956 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 434 | 7 | 2 | 6 | 4.1 | CC(C)(c1ccccc1)c1noc(N[C@H]2CC[C@H](CNS(=O)(=O)C(C)(C)C)CC2)n1 | nan | ||
| 10052173 | 57254 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 513 | 6 | 1 | 6 | 4.5 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL166606 | 57254 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 513 | 6 | 1 | 6 | 4.5 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 44271202 | 58806 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL16986 | 58806 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 515 | 4 | 1 | 5 | 4.8 | O=C(Nc1ccc(F)c(C(F)(F)F)c1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 68601090 | 124906 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 | nan | ||
| CHEMBL3646133 | 124906 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3F)cc2)CC1)c1ccon1 | nan | ||
| 23442592 | 168760 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL441850 | 168760 | 0 | None | - | 0 | Mouse | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1ncc(C(=O)c2ccccc2C)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| 44271382 | 98062 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL276283 | 98062 | 0 | None | - | 0 | Human | 9.2 | pIC50 | = | 9.2 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71458603 | 80921 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 3 | 1 | 5 | 3.4 | O=S(=O)(c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1)C(F)(F)F | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159166 | 80921 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 3 | 1 | 5 | 3.4 | O=S(=O)(c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1)C(F)(F)F | 10.1016/j.bmcl.2012.09.025 | ||
| 70675731 | 127954 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 2 | 7 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | ||
| CHEMBL3666790 | 127954 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 397 | 7 | 2 | 7 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | ||
| 89986749 | 127959 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.4 | CC1(c2noc(N[C@H]3CC[C@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 | nan | ||
| CHEMBL3666795 | 127959 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.4 | CC1(c2noc(N[C@H]3CC[C@H](CNS(=O)(=O)C(C)(C)C)CC3)n2)CC(F)(F)C1 | nan | ||
| 71458605 | 80926 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(C)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159171 | 80926 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.2 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(C)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 70675705 | 127944 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| CHEMBL3666781 | 127944 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 382 | 7 | 2 | 6 | 2.8 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| 18004997 | 192475 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL522540 | 192475 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 18004997 | 192475 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL522540 | 192475 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44583539 | 192811 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL526084 | 192811 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4Cl)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 9908374 | 187154 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL495580 | 187154 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 9869232 | 187450 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL497641 | 187450 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(C(F)(F)F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 18004896 | 186641 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492568 | 186641 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 71462130 | 80925 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(Cl)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159170 | 80925 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 405 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(Cl)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 23442647 | 66804 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL187607 | 66804 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| 44271207 | 98438 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL279309 | 98438 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 70675727 | 127949 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | ||
| CHEMBL3666786 | 127949 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 400 | 7 | 2 | 6 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)c(F)c3)no2)CC1 | nan | ||
| 70675709 | 127948 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| CHEMBL3666785 | 127948 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(F)c3)no2)CC1 | nan | ||
| 18004939 | 192627 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL523715 | 192627 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 18004939 | 192627 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL523715 | 192627 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 11349780 | 198034 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 3 | 1 | 7 | 2.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL593465 | 198034 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 389 | 3 | 1 | 7 | 2.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44271385 | 60213 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17590 | 60213 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| 70675730 | 127952 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 384 | 6 | 2 | 6 | 2.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 | nan | ||
| CHEMBL3666789 | 127952 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 384 | 6 | 2 | 6 | 2.9 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)CC1 | nan | ||
| 70675732 | 127955 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 3.0 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | ||
| CHEMBL3666791 | 127955 | 0 | None | - | 0 | Mouse | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 411 | 6 | 2 | 7 | 3.0 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cn3)no2)CC1 | nan | ||
| 10927348 | 168808 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.2 | CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL442182 | 168808 | 0 | None | - | 0 | Human | 9.1 | pIC50 | = | 9.1 | Binding | ChEMBL | 394 | 6 | 1 | 2 | 6.2 | CC(Cc1ccc(Cl)cc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 9889156 | 191998 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL521545 | 191998 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(Cl)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 11407098 | 198377 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595790 | 198377 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 18004955 | 186976 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL494593 | 186976 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 18004955 | 186976 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL494593 | 186976 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 12108781 | 187097 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL495201 | 187097 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 12108781 | 187097 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL495201 | 187097 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44583438 | 191996 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL521537 | 191996 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 135543802 | 202336 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 6 | 3 | 5 | 4.0 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(O)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL69881 | 202336 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 467 | 6 | 3 | 5 | 4.0 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(O)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| 10926406 | 13914 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 357 | 5 | 1 | 3 | 5.3 | CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL119743 | 13914 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 357 | 5 | 1 | 3 | 5.3 | CC(C)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 11111992 | 110087 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL325486 | 110087 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44583540 | 187445 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL497621 | 187445 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4cccc(Cl)c4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44461023 | 203936 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.1 | O=C(C1CCOC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81994 | 203936 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.1 | O=C(C1CCOC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44379101 | 119409 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 543 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)C(O)(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL349486 | 119409 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 543 | 6 | 2 | 7 | 3.3 | COc1ccc2c(c1)C(O)(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 44344243 | 112803 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 12 | 4 | 6 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL331551 | 112803 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 526 | 12 | 4 | 6 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)CNC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| 20616896 | 124513 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL364386 | 124513 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccs2)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| 71454972 | 80928 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159174 | 80928 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9 | Binding | ChEMBL | 369 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 70675757 | 127963 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | ||
| CHEMBL3666799 | 127963 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | ||
| 71451430 | 80924 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 389 | 4 | 1 | 5 | 3.1 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(F)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159169 | 80924 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 389 | 4 | 1 | 5 | 3.1 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(F)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 9796081 | 114909 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 292 | 2 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL335039 | 114909 | 2 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 292 | 2 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 68606301 | 124917 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 467 | 5 | 1 | 5 | 5.4 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | ||
| CHEMBL3646144 | 124917 | 0 | None | - | 0 | Mouse | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 467 | 5 | 1 | 5 | 5.4 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | ||
| 9953800 | 187162 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL495630 | 187162 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44583394 | 187249 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL496196 | 187249 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44583435 | 192546 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL523060 | 192546 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccccc1-c1cnc(NC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)nc1 | 10.1016/j.bmcl.2009.05.013 | ||
| 44271223 | 98068 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL276322 | 98068 | 0 | None | - | 0 | Human | 9.0 | pIC50 | = | 9.0 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 10685135 | 26104 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 3.2 | Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL135883 | 26104 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 3.2 | Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 9953150 | 187315 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL496621 | 187315 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nsc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 46226641 | 200134 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL607037 | 200134 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 405 | 3 | 1 | 6 | 4.4 | O=C1O[C@]2(CC[C@H](C(=O)Nc3csc(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44573574 | 192580 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 4.4 | CCCCc1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL523330 | 192580 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 441 | 5 | 1 | 3 | 4.4 | CCCCc1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | ||
| 44379095 | 57803 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 4.3 | COc1ccc2c(c1)CC(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL167709 | 57803 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 541 | 6 | 1 | 6 | 4.3 | COc1ccc2c(c1)CC(CNC(=O)C1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 44271223 | 98068 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL276322 | 98068 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 2.8 | O=C(NCC(O)c1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 18004944 | 196695 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 452 | 3 | 1 | 5 | 3.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL576727 | 196695 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 452 | 3 | 1 | 5 | 3.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44583463 | 192842 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4C(F)(F)F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL526645 | 192842 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4C(F)(F)F)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 9952232 | 198276 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595120 | 198276 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 11491176 | 198350 | 31 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595573 | 198350 | 31 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 12108783 | 192681 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL524051 | 192681 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44583541 | 192688 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL524085 | 192688 | 0 | None | - | 0 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 423 | 2 | 1 | 5 | 4.7 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 1562 | 884 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
| 5312114 | 884 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL17645 | 884 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL195380 | 884 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
| 44271289 | 168612 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL440647 | 168612 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71453236 | 80918 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.3 | CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159163 | 80918 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 385 | 4 | 1 | 5 | 3.3 | CC(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 70675707 | 127946 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | ||
| CHEMBL3666783 | 127946 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 368 | 6 | 2 | 6 | 2.4 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)no2)CC1 | nan | ||
| 45481798 | 196366 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 451 | 3 | 2 | 4 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574084 | 196366 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 451 | 3 | 2 | 4 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 1562 | 884 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 5312114 | 884 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17645 | 884 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL195380 | 884 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 9908945 | 192450 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL522388 | 192450 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44573541 | 192702 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 5 | 3 | 5 | 3.5 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL524192 | 192702 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 474 | 5 | 3 | 5 | 3.5 | CS(=O)(=O)Nc1ccccc1N1CCN(C(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 | 10.1016/j.bmcl.2009.02.035 | ||
| 44271284 | 57768 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL16740 | 57768 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44271317 | 60075 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17502 | 60075 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44271385 | 60213 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17590 | 60213 | 0 | None | - | 0 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 533 | 6 | 1 | 6 | 4.8 | O=C(c1ccccc1)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71458604 | 80923 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 4.3 | CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159168 | 80923 | 0 | None | - | 0 | Mouse | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 453 | 4 | 1 | 5 | 4.3 | CC(C)(C(F)(F)F)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 70675779 | 127957 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 384 | 5 | 2 | 6 | 2.8 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | ||
| CHEMBL3666793 | 127957 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 384 | 5 | 2 | 6 | 2.8 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | ||
| 68605769 | 124913 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 5 | 2 | 6 | 4.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 | nan | ||
| CHEMBL3646140 | 124913 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 5 | 2 | 6 | 4.3 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](Nc4cccc(F)n4)CC3)ccc21 | nan | ||
| 68606747 | 124914 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 4.9 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccn4)CC3)cc2)C[C@@H](C)O1 | nan | ||
| CHEMBL3646141 | 124914 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 443 | 5 | 1 | 5 | 4.9 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(Cl)ccn4)CC3)cc2)C[C@@H](C)O1 | nan | ||
| 9802119 | 195395 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL567495 | 195395 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 9802118 | 197225 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL584526 | 197225 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 9908890 | 198093 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL593934 | 198093 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 18004985 | 192443 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL522321 | 192443 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44271207 | 98438 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL279309 | 98438 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 521 | 6 | 1 | 6 | 5.4 | O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 46912808 | 124900 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 | nan | ||
| CHEMBL3646127 | 124900 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 3.5 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 | nan | ||
| 44580050 | 183612 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL483251 | 183612 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44401591 | 68540 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL192266 | 68540 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 587 | 8 | 3 | 7 | 5.1 | Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 23442776 | 125264 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL364796 | 125264 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | ||
| 89986718 | 127967 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | ||
| CHEMBL3666802 | 127967 | 0 | None | - | 0 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 406 | 7 | 2 | 6 | 2.6 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 | nan | ||
| 10565529 | 116217 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL337427 | 116217 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 9796164 | 96495 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 4.9 | Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL266241 | 96495 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 294 | 1 | 1 | 1 | 4.9 | Clc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 9823032 | 187278 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 413 | 2 | 2 | 4 | 3.3 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)N1 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL496392 | 187278 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 413 | 2 | 2 | 4 | 3.3 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)N1 | 10.1016/j.bmcl.2009.05.013 | ||
| 9979057 | 186476 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.1 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL491229 | 186476 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 412 | 2 | 1 | 3 | 6.1 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccc(F)cc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 9887225 | 186555 | 3 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL491930 | 186555 | 3 | None | - | 1 | Mouse | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 9887225 | 186555 | 3 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL491930 | 186555 | 3 | None | - | 1 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 9952231 | 198128 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL594163 | 198128 | 0 | None | - | 0 | Rat | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44271267 | 98317 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL278280 | 98317 | 0 | None | - | 0 | Human | 8.8 | pIC50 | = | 8.8 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 9926566 | 27803 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137259 | 27803 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 68616467 | 124911 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.5 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 | nan | ||
| CHEMBL3646138 | 124911 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 404 | 4 | 2 | 4 | 4.5 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1)c1ccon1 | nan | ||
| 68607021 | 124916 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 5 | 5.8 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | ||
| CHEMBL3646143 | 124916 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 501 | 5 | 1 | 5 | 5.8 | C[C@H]1CN(c2ccc(NC(=O)[C@H]3CC[C@@H](Oc4cc(C(F)(F)F)ccc4C#N)CC3)cc2)C[C@@H](C)O1 | nan | ||
| 44580708 | 187262 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 3 | 1 | 4 | 4.4 | CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL496326 | 187262 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 375 | 3 | 1 | 4 | 4.4 | CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 45481809 | 196336 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL573860 | 196336 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 9933356 | 195373 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL567310 | 195373 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 9952815 | 195402 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL567527 | 195402 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 9953802 | 195954 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL570864 | 195954 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 11224238 | 197280 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL585107 | 197280 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 11633103 | 197291 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL585203 | 197291 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44583436 | 187161 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1cccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)c1 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL495625 | 187161 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1cccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)c1 | 10.1016/j.bmcl.2009.05.013 | ||
| 44583559 | 187280 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL496399 | 187280 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 9952815 | 195402 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL567527 | 195402 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 70682529 | 76542 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070156 | 76542 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cncc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 70675752 | 127968 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 | nan | ||
| CHEMBL3666803 | 127968 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 424 | 6 | 2 | 6 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C3(F)CC(F)(F)C3)no2)CC1 | nan | ||
| 9955287 | 195374 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL567318 | 195374 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 9886573 | 187387 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 2 | 2 | 4 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL497211 | 187387 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 2 | 2 | 4 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)n[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 70688845 | 76529 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.3 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070143 | 76529 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.3 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 70684604 | 76544 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070158 | 76544 | 0 | None | - | 0 | Mouse | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10757242 | 28325 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.6 | CCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| CHEMBL137638 | 28325 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 272 | 4 | 1 | 3 | 3.6 | CCCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| 44580667 | 187374 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 364 | 2 | 1 | 6 | 3.1 | O=C1OC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497152 | 187374 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 364 | 2 | 1 | 6 | 3.1 | O=C1OC2(CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44580666 | 187429 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 397 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497570 | 187429 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 397 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 10186456 | 102925 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL3084802 | 102925 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44312780 | 102924 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL3084801 | 102924 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 523 | 7 | 2 | 7 | 4.6 | Nc1cc(C2CCC(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 9924627 | 192463 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 4.4 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL522489 | 192463 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 352 | 3 | 1 | 2 | 4.4 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 9850107 | 10894 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 3.4 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL117400 | 10894 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 536 | 8 | 2 | 5 | 3.4 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| 44344497 | 102955 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 5.1 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL3084895 | 102955 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 533 | 10 | 2 | 5 | 5.1 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| 44271355 | 59325 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17214 | 59325 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | ||
| 3087469 | 28021 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137404 | 28021 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10664487 | 30446 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 298 | 2 | 1 | 4 | 4.0 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL139483 | 30446 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 298 | 2 | 1 | 4 | 4.0 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cccs3)cc2n1 | 10.1021/jm000269t | ||
| 44313331 | 203142 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.9 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL75662 | 203142 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 420 | 6 | 2 | 6 | 3.9 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 10295464 | 203978 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82374 | 203978 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10257065 | 12763 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL1188887 | 12763 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL537634 | 12763 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cc(Cl)ccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| 44271556 | 97971 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 444 | 6 | 1 | 3 | 5.2 | O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL275610 | 97971 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 444 | 6 | 1 | 3 | 5.2 | O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44377690 | 57825 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCCC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)C2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL167926 | 57825 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCCC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)C2 | 10.1016/s0960-894x(02)00002-1 | ||
| 25067562 | 183606 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL483239 | 183606 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| 44579862 | 186280 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL489609 | 186280 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | ||
| 44390110 | 161131 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 328 | 5 | 1 | 5 | 4.3 | COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL413359 | 161131 | 0 | None | - | 0 | Mouse | 6.0 | pIC50 | = | 6 | Binding | ChEMBL | 328 | 5 | 1 | 5 | 4.3 | COc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | ||
| 44580502 | 192296 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 1 | 0 | 5 | 4.0 | O=C1OC2(CCN(c3nc4ccccc4s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL522213 | 192296 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 336 | 1 | 0 | 5 | 4.0 | O=C1OC2(CCN(c3nc4ccccc4s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 10481364 | 12865 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | ||
| CHEMBL1189619 | 12865 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | ||
| CHEMBL539084 | 12865 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 471 | 6 | 1 | 5 | 5.3 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 | 10.1021/jm049599u | ||
| 10616756 | 26063 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 298 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(C3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL135831 | 26063 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 298 | 2 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(C3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 45481639 | 196765 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL577358 | 196765 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)nc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44379410 | 57787 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 535 | 10 | 3 | 6 | 3.5 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL167558 | 57787 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 535 | 10 | 3 | 6 | 3.5 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 44344312 | 102935 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 4.8 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL3084871 | 102935 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 565 | 9 | 2 | 5 | 4.8 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| 44344356 | 102941 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.6 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL3084877 | 102941 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 547 | 9 | 2 | 5 | 4.6 | COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| 9810707 | 168838 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL442399 | 168838 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CCC(NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| 20616889 | 66583 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL186620 | 66583 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 421 | 9 | 2 | 7 | 3.5 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccs2)n1 | 10.1016/j.bmcl.2005.05.009 | ||
| 23442542 | 66783 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 445 | 10 | 2 | 7 | 3.5 | COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL187507 | 66783 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 445 | 10 | 2 | 7 | 3.5 | COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 | 10.1016/j.bmcl.2005.05.009 | ||
| 10325002 | 13013 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1190573 | 13013 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL541121 | 13013 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 503 | 6 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | ||
| 10457755 | 48148 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 3.5 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL155553 | 48148 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 477 | 6 | 3 | 6 | 3.5 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| 70688846 | 76530 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070144 | 76530 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 44580710 | 187566 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 362 | 2 | 2 | 5 | 2.3 | NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL498594 | 187566 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 362 | 2 | 2 | 5 | 2.3 | NC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 22934120 | 96796 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)nc1 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL268810 | 96796 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)nc1 | 10.1016/s0960-894x(02)00090-2 | ||
| 22934115 | 201837 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL6646 | 201837 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 10519637 | 28301 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 282 | 2 | 1 | 4 | 3.5 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137619 | 28301 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 282 | 2 | 1 | 4 | 3.5 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccco3)cc2n1 | 10.1021/jm000269t | ||
| 22257113 | 102428 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 4.4 | O=C(NC1=NC2CCc3cc(Cl)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL306099 | 102428 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 499 | 5 | 2 | 4 | 4.4 | O=C(NC1=NC2CCc3cc(Cl)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | ||
| 71519169 | 85734 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 4.6 | CCS(=O)(=O)c1ccc2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312078 | 85734 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 4.6 | CCS(=O)(=O)c1ccc2[nH]c(Cc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 10256047 | 12694 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1188309 | 12694 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL536045 | 12694 | 0 | None | - | 0 | Rat | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 481 | 5 | 1 | 4 | 5.9 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(C2CCCCC2)cc1 | 10.1021/jm049599u | ||
| 44312965 | 103002 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 4.6 | Nc1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL308508 | 103002 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 472 | 6 | 2 | 5 | 4.6 | Nc1cc(-c2ccc(CNS(=O)(=O)c3ccccc3)cc2)nn1-c1ccc(C(F)(F)F)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44289816 | 163533 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.1 | O=C(Cc1ccccc1)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42096 | 163533 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 8 | 2 | 3 | 5.1 | O=C(Cc1ccccc1)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| 44288395 | 162010 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL41686 | 162010 | 0 | None | - | 0 | Human | 4.9 | pIC50 | = | 4.9 | Binding | ChEMBL | 517 | 10 | 5 | 3 | 4.0 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)N[C@H]1CCc2ccccc21 | 10.1016/s0960-894x(00)00292-4 | ||
| 11783658 | 110110 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.5 | CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 | 10.1021/jm011125x | ||
| CHEMBL325639 | 110110 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 373 | 2 | 1 | 3 | 4.5 | CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 | 10.1021/jm011125x | ||
| 44344608 | 102962 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 4 | 4.9 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 | 10.1021/jm990468g | ||
| CHEMBL3084904 | 102962 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 553 | 8 | 2 | 4 | 4.9 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1 | 10.1021/jm990468g | ||
| 71518852 | 85719 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312063 | 85719 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 366 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 10071200 | 49982 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 6 | 3 | 6 | 2.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL157157 | 49982 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 427 | 6 | 3 | 6 | 2.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccs2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10547234 | 118279 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 4.4 | CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL342153 | 118279 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 335 | 5 | 2 | 4 | 4.4 | CCCNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44401626 | 70995 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL195810 | 70995 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 558 | 7 | 2 | 6 | 5.2 | O=S(=O)(NCC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
| 11284878 | 63997 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL181217 | 63997 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(N[C@H]2CC[C@@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 10779946 | 116163 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 | 10.1021/jm000269t | ||
| CHEMBL337105 | 116163 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 4.5 | Cc1cc2cc(-c3ccccc3)[nH]c2c(N2CCCCC2)n1 | 10.1021/jm000269t | ||
| 44308516 | 167233 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 3.9 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL430604 | 167233 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 513 | 6 | 2 | 5 | 3.9 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| 10916153 | 203268 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.5 | CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | ||
| CHEMBL76627 | 203268 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 5.5 | CCN(C(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](C)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | ||
| 11824961 | 203449 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL78265 | 203449 | 0 | None | - | 1 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 9857217 | 96605 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL267193 | 96605 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 22934114 | 96902 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL269561 | 96902 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 44461107 | 168658 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL441059 | 168658 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44379089 | 57818 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 2.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL167860 | 57818 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 501 | 10 | 3 | 6 | 2.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 44580747 | 187467 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.2 | CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497786 | 187467 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 3.2 | CC(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 44573448 | 186676 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(Cl)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL492779 | 186676 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(Cl)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10614625 | 116132 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 2 | 0 | 4 | 3.9 | Cc1nc(N2CCCCC2)c2c(cc(-c3ccccc3)n2C)n1 | 10.1021/jm000269t | ||
| CHEMBL336985 | 116132 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 306 | 2 | 0 | 4 | 3.9 | Cc1nc(N2CCCCC2)c2c(cc(-c3ccccc3)n2C)n1 | 10.1021/jm000269t | ||
| 10959714 | 203244 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 | 10.1021/jm0004547 | ||
| CHEMBL76478 | 203244 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 374 | 6 | 1 | 2 | 6.0 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(C)(C)Cc1ccccc1 | 10.1021/jm0004547 | ||
| 10455186 | 13798 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1196451 | 13798 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL556999 | 13798 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 390 | 4 | 1 | 5 | 3.1 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | ||
| 44390156 | 63155 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 6.2 | O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL179979 | 63155 | 0 | None | - | 0 | Mouse | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 416 | 4 | 1 | 4 | 6.2 | O=C(c1cnc(Nc2cccc(C(F)(F)F)c2)s1)c1ccccc1C(F)(F)F | 10.1016/j.bmcl.2005.01.063 | ||
| 10481215 | 12702 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | ||
| CHEMBL1188388 | 12702 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | ||
| CHEMBL536275 | 12702 | 0 | None | - | 0 | Rat | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1cccc2c1-c1ccccc1C2=O | 10.1021/jm049599u | ||
| 44583437 | 187192 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL495828 | 187192 | 0 | None | - | 0 | Human | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 430 | 3 | 1 | 6 | 3.8 | COc1ccc(-c2cnc(NC(=O)N3CCC4(CC3)OC(=O)c3ccccc34)nc2)cc1 | 10.1016/j.bmcl.2009.05.013 | ||
| 44390067 | 63126 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 6 | 4.7 | Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL179848 | 63126 | 0 | None | - | 0 | Mouse | 7.9 | pIC50 | = | 7.9 | Binding | ChEMBL | 339 | 4 | 1 | 6 | 4.7 | Cc1cc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 10738836 | 27806 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 348 | 2 | 1 | 4 | 5.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137260 | 27806 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 348 | 2 | 1 | 4 | 5.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc4ccccc4s3)cc2n1 | 10.1021/jm000269t | ||
| 22325344 | 192528 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.2 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL522913 | 192528 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.2 | O=C1OC2(CCN(c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44377916 | 56854 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 2 | 6 | 3.6 | COc1ccc2c(c1OC)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL164748 | 56854 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 523 | 10 | 2 | 6 | 3.6 | COc1ccc2c(c1OC)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44289833 | 165565 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 495 | 6 | 3 | 4 | 3.5 | CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42611 | 165565 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 495 | 6 | 3 | 4 | 3.5 | CC(C)(C)NC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| 10573317 | 118731 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL343564 | 118731 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(-c4ccccc4)cc3)cc2n1 | 10.1021/jm000269t | ||
| 10520484 | 164800 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 294 | 2 | 1 | 5 | 2.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL423720 | 164800 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 294 | 2 | 1 | 5 | 2.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cnccn3)cc2n1 | 10.1021/jm000269t | ||
| 44580505 | 187510 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL498197 | 187510 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 20556258 | 63419 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL18016 | 63419 | 0 | None | - | 0 | Human | 5.9 | pIC50 | = | 5.9 | Binding | ChEMBL | 419 | 4 | 1 | 7 | 2.9 | COc1cc2nc(N3CCC(N4Cc5ccccc5C4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
| 44370270 | 47765 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 9 | 3 | 5 | 6.8 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL155048 | 47765 | 0 | None | - | 0 | Human | 6.9 | pIC50 | = | 6.9 | Binding | ChEMBL | 597 | 9 | 3 | 5 | 6.8 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | ||
| 44313078 | 203108 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N(C)C)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL75369 | 203108 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N(C)C)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44370250 | 50798 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 6 | 3 | 6 | 2.8 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL157905 | 50798 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 472 | 6 | 3 | 6 | 2.8 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10253263 | 69133 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.4 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | ||
| CHEMBL193382 | 69133 | 0 | None | - | 0 | Rat | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 450 | 4 | 1 | 5 | 4.4 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | ||
| 10883239 | 169133 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 2 | 1 | 5 | 2.5 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL443809 | 169133 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 373 | 2 | 1 | 5 | 2.5 | CS(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| 9824246 | 167205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL430414 | 167205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00449-8 | ||
| 9824246 | 167205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL430414 | 167205 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(C)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44579864 | 192484 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 2 | 1 | 6 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5nnco5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL522609 | 192484 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 386 | 2 | 1 | 6 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5nnco5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 44460811 | 162778 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 5.3 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL419104 | 162778 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 500 | 6 | 2 | 6 | 5.3 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)-c2ccccc2Sc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461003 | 203889 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 6.5 | CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81621 | 203889 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 476 | 5 | 1 | 4 | 6.5 | CC(=O)C1(c2ccccc2)CCC(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460943 | 203890 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 2 | 5 | 5.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81636 | 203890 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 455 | 5 | 2 | 5 | 5.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)c1cccs1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461201 | 204137 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 3.7 | COCCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL83748 | 204137 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 460 | 9 | 2 | 6 | 3.7 | COCCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 71451429 | 80915 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(C3CN(c4ccccc4)CCO3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159160 | 80915 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 385 | 5 | 1 | 5 | 3.3 | CCCS(=O)(=O)c1ccc2[nH]c(C3CN(c4ccccc4)CCO3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 10830247 | 28020 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137403 | 28020 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccn3)cc2n1 | 10.1021/jm000269t | ||
| 10810223 | 118261 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 4.0 | COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL341993 | 118261 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 4.0 | COc1ccc(CCc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 10047390 | 203252 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.8 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL76512 | 203252 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 413 | 3 | 1 | 3 | 5.8 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44460881 | 203644 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 5.4 | O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79815 | 203644 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 484 | 7 | 2 | 5 | 5.4 | O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 11284878 | 70083 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL194602 | 70083 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 10736625 | 118663 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 4.5 | Cc1nc(NCc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL343102 | 118663 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 314 | 4 | 2 | 3 | 4.5 | Cc1nc(NCc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10007341 | 119547 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL350620 | 119547 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 10007341 | 119547 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL350620 | 119547 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 44289698 | 172502 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 2 | 4 | 5.3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL45199 | 172502 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 495 | 6 | 2 | 4 | 5.3 | CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| 70695681 | 77937 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | ||
| CHEMBL2110162 | 77937 | 0 | None | - | 1 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | ||
| 10849420 | 118704 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.5 | Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| CHEMBL343394 | 118704 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 230 | 1 | 1 | 3 | 2.5 | Cc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| 12822578 | 60020 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.5 | COc1cc2nc(N3CCC(N4C(=O)CC(C5CCCCC5)CC4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17456 | 60020 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 481 | 5 | 1 | 8 | 3.5 | COc1cc2nc(N3CCC(N4C(=O)CC(C5CCCCC5)CC4=O)CC3)nc(N)c2cc1OC | 10.1016/s0960-894x(00)00177-3 | ||
| 44573567 | 186876 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL494018 | 186876 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44573606 | 192054 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL521862 | 192054 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccncc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44573449 | 192521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL522866 | 192521 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccc(C(F)(F)F)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10617610 | 28401 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(F)c2n1 | 10.1021/jm000269t | ||
| CHEMBL137711 | 28401 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(F)c2n1 | 10.1021/jm000269t | ||
| 44580503 | 187175 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 320 | 1 | 1 | 5 | 2.6 | O=C1OC2(CCN(c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL495725 | 187175 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 320 | 1 | 1 | 5 | 2.6 | O=C1OC2(CCN(c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 1284592 | 105329 | 40 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL312711 | 105329 | 40 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44313092 | 167478 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N(C)C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL432352 | 167478 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 447 | 6 | 2 | 6 | 4.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N(C)C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 10959285 | 203341 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 358 | 4 | 1 | 2 | 5.1 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 | 10.1021/jm0004547 | ||
| CHEMBL77208 | 203341 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 358 | 4 | 1 | 2 | 5.1 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1Cc2ccccc2C1 | 10.1021/jm0004547 | ||
| 11068453 | 102668 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 6 | 3 | 3 | 4.7 | C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | ||
| CHEMBL308046 | 102668 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 362 | 6 | 3 | 3 | 4.7 | C[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccccc1 | 10.1021/jm0004547 | ||
| 44390111 | 62442 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 4.9 | O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1F | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL178412 | 62442 | 0 | None | - | 0 | Mouse | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 332 | 4 | 1 | 4 | 4.9 | O=C(c1cnc(Nc2ccc(Cl)cc2)s1)c1ccccc1F | 10.1016/j.bmcl.2005.01.063 | ||
| 17965215 | 28223 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.7 | Cc1nc2cc(-c3ccccc3)nc-2c(N2C(C)CCCC2C)[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137538 | 28223 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.7 | Cc1nc2cc(-c3ccccc3)nc-2c(N2C(C)CCCC2C)[nH]1 | 10.1021/jm000269t | ||
| 44580665 | 192748 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4c(-c5ccccc5)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL524988 | 192748 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4c(-c5ccccc5)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44573647 | 192583 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cncc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL523339 | 192583 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cncc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44460473 | 203864 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81427 | 203864 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461159 | 203955 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 7 | 1 | 6 | 4.6 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(OC)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82196 | 203955 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 429 | 7 | 1 | 6 | 4.6 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(OC)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44289834 | 168110 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL43659 | 168110 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | ||
| 23442779 | 125762 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL365021 | 125762 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 475 | 11 | 2 | 8 | 3.5 | COc1ccc(OC)c(S(=O)(=O)NCCCNc2nc(C(=O)c3ccccc3C)cs2)c1 | 10.1016/j.bmcl.2005.05.009 | ||
| 44271382 | 98062 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL276283 | 98062 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 479 | 4 | 1 | 5 | 4.7 | O=C(Nc1cccc2ccccc12)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71454970 | 80914 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159159 | 80914 | 0 | None | - | 0 | Mouse | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 10094963 | 12752 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1188798 | 12752 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL537412 | 12752 | 0 | None | - | 0 | Rat | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 407 | 5 | 1 | 5 | 3.4 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4ccccc43)CC2)cc1 | 10.1021/jm049599u | ||
| 10645275 | 118779 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL343924 | 118779 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 374 | 3 | 1 | 3 | 4.8 | Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 44289857 | 100824 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 7 | 3 | 3 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL296557 | 100824 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 514 | 7 | 3 | 3 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Nc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 44370180 | 47018 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 6 | 3 | 5 | 3.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL154412 | 47018 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 471 | 6 | 3 | 5 | 3.4 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| 44313061 | 102655 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL307901 | 102655 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 10498644 | 26349 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(COc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL136093 | 26349 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 322 | 4 | 1 | 4 | 3.8 | Cc1nc(N2CCCCC2)c2nc(COc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 44460788 | 203585 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.9 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79301 | 203585 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 458 | 7 | 1 | 6 | 3.9 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460922 | 204213 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 6 | 1 | 6 | 3.7 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL84269 | 204213 | 0 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 415 | 6 | 1 | 6 | 3.7 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44573656 | 186620 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 3 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492393 | 186620 | 0 | None | - | 0 | Human | 6.8 | pIC50 | = | 6.8 | Binding | ChEMBL | 460 | 4 | 0 | 3 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 13152287 | 203933 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 282 | 0 | 1 | 4 | 4.5 | Nc1nc2c(s1)-c1ccccc1Sc1ccccc1-2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81979 | 203933 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 282 | 0 | 1 | 4 | 4.5 | Nc1nc2c(s1)-c1ccccc1Sc1ccccc1-2 | 10.1016/j.bmcl.2004.03.014 | ||
| 10303307 | 64130 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL181393 | 64130 | 0 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 565 | 7 | 2 | 6 | 5.8 | CN(C)c1nc(NC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 9924211 | 192032 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 344 | 1 | 1 | 5 | 3.1 | N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL521720 | 192032 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 344 | 1 | 1 | 5 | 3.1 | N#Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 44460707 | 105328 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL312710 | 105328 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44344454 | 102948 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 9 | 2 | 4 | 5.4 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | ||
| CHEMBL3084885 | 102948 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 539 | 9 | 2 | 4 | 5.4 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | ||
| 10403909 | 64198 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 323 | 4 | 1 | 5 | 4.1 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL181458 | 64198 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 323 | 4 | 1 | 5 | 4.1 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | ||
| 2350190 | 51565 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL1585484 | 51565 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | ||
| 2350190 | 51565 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL1585484 | 51565 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | ||
| 10805667 | 27961 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CC(C)CC(C)C2)[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137360 | 27961 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 320 | 2 | 1 | 3 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CC(C)CC(C)C2)[nH]1 | 10.1021/jm000269t | ||
| 44377476 | 119518 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 2 | 4 | 3.9 | Cc1ccc2c(c1)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL350379 | 119518 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 477 | 8 | 2 | 4 | 3.9 | Cc1ccc2c(c1)CC(NCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 71458602 | 80916 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCC(=O)N(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159161 | 80916 | 0 | None | - | 0 | Mouse | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 397 | 5 | 1 | 4 | 3.7 | CCCS(=O)(=O)c1ccc2[nH]c(C3CCC(=O)N(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 44313576 | 104994 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.3 | Cc1cc(C(=O)Nc2cccc3c2CCCC3)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL312086 | 104994 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 399 | 3 | 1 | 3 | 5.3 | Cc1cc(C(=O)Nc2cccc3c2CCCC3)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 9981738 | 13818 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1196600 | 13818 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL557583 | 13818 | 0 | None | - | 0 | Rat | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 424 | 4 | 1 | 5 | 3.8 | N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| 44580709 | 192726 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 3.4 | CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL524644 | 192726 | 1 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 391 | 3 | 1 | 6 | 3.4 | CCOC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 18005004 | 196159 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572431 | 196159 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(OC)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 10970192 | 10914 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 | 10.1021/jm011125x | ||
| CHEMBL117563 | 10914 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 | 10.1021/jm011125x | ||
| 10969955 | 110086 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL325475 | 110086 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 9862646 | 162896 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 2 | 1 | 3 | 4.2 | CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL419951 | 162896 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 337 | 2 | 1 | 3 | 4.2 | CC(C)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| 9908946 | 195559 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL568370 | 195559 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 45487538 | 197254 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4CF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL584815 | 197254 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4CF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 9908946 | 195559 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL568370 | 195559 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | ||
| 46226607 | 198129 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL594164 | 198129 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4cccc(F)c4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 18004891 | 192675 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 2.5 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL524029 | 192675 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 3 | 2 | 4 | 2.5 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(N)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmcl.2009.02.035 | ||
| 9946965 | 192460 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL522456 | 192460 | 0 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44461200 | 103792 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 8 | 2 | 6 | 3.3 | COCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL309967 | 103792 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 446 | 8 | 2 | 6 | 3.3 | COCCNCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460988 | 105135 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL312362 | 105135 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10111792 | 105489 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.7 | COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL313087 | 105489 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 5 | 1 | 5 | 3.7 | COCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461051 | 105635 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.1 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL313454 | 105635 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.1 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461022 | 167450 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL432169 | 167450 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 4.3 | O=C([C@@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10272418 | 203870 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.7 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81484 | 203870 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.7 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10226374 | 203882 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 3.4 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81586 | 203882 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 3.4 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460919 | 203951 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 4 | 2 | 5 | 4.8 | COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82158 | 203951 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 403 | 4 | 2 | 5 | 4.8 | COC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461180 | 204233 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 4.5 | O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL84453 | 204233 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 4.5 | O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44271276 | 59625 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17327 | 59625 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.8 | CC(=O)c1cccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)c1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44573705 | 186975 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL494592 | 186975 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 9930851 | 195511 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL568144 | 195511 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44579888 | 186279 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 454 | 2 | 1 | 6 | 5.4 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL489608 | 186279 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 454 | 2 | 1 | 6 | 5.4 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5noc(C(F)(F)F)n5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 9930851 | 195511 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL568144 | 195511 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 22660756 | 198437 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL596264 | 198437 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 46226628 | 199672 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL604480 | 199672 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44573705 | 186975 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL494592 | 186975 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cccnc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 11491176 | 198350 | 31 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595573 | 198350 | 31 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 11407098 | 198377 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595790 | 198377 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccc(F)cc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 10662967 | 25522 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 276 | 2 | 1 | 3 | 3.3 | Cc1nc(N2CC=CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL135262 | 25522 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 276 | 2 | 1 | 3 | 3.3 | Cc1nc(N2CC=CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44580223 | 183609 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 1 | 1 | 6 | 3.6 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL483244 | 183609 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 399 | 1 | 1 | 6 | 3.6 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 45481804 | 196163 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572451 | 196163 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ncc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45487589 | 195120 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL565624 | 195120 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 45487576 | 197065 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL583007 | 197065 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 45487628 | 197256 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL584902 | 197256 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(F)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44583506 | 192760 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL525173 | 192760 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44579846 | 186429 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 2 | 1 | 3 | 6.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL490824 | 186429 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 428 | 2 | 1 | 3 | 6.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(-c5ccccc5)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 44579862 | 186480 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL491239 | 186480 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1cc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2cc1Cl | 10.1016/j.bmcl.2008.08.021 | ||
| 46226653 | 198407 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL596025 | 198407 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 46226580 | 200160 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL607144 | 200160 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 15940921 | 198347 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595560 | 198347 | 0 | None | - | 0 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 68605776 | 124915 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 386 | 6 | 1 | 4 | 4.7 | N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1 | nan | ||
| CHEMBL3646142 | 124915 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 386 | 6 | 1 | 4 | 4.7 | N#Cc1ccccc1O[C@H]1CC[C@@H](C(=O)Nc2ccc(OC(F)F)cc2)CC1 | nan | ||
| 22934132 | 202906 | 6 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL7342 | 202906 | 6 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 45487530 | 197245 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL584732 | 197245 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 432 | 4 | 1 | 6 | 4.2 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(CF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44583557 | 187156 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL495594 | 187156 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44579810 | 186273 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 394 | 2 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL489587 | 186273 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 394 | 2 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 15940921 | 198347 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595560 | 198347 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44271373 | 59212 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17165 | 59212 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44271317 | 60075 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17502 | 60075 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 473 | 6 | 1 | 6 | 3.3 | COc1ccc(CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44303643 | 199448 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.0 | COc1ccc(-c2cc(NC(=O)CC34CCCC3Cc3ccccc3C4)[nH]n2)cc1OC | 10.1021/jm980521l | ||
| CHEMBL60319 | 199448 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 431 | 6 | 2 | 4 | 5.0 | COc1ccc(-c2cc(NC(=O)CC34CCCC3Cc3ccccc3C4)[nH]n2)cc1OC | 10.1021/jm980521l | ||
| 12071667 | 187428 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497569 | 187428 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 4.9 | O=C1OC2(CCN(c3nc4cc(-c5ccccc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 9825886 | 196368 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574088 | 196368 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4nccs4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45481807 | 196769 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL577372 | 196769 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 9887225 | 186555 | 3 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL491930 | 186555 | 3 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44583462 | 192566 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL523228 | 192566 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 2 | 1 | 5 | 4.0 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44579825 | 186477 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.5 | O=C(c1ccccc1)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL491230 | 186477 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 422 | 3 | 1 | 4 | 5.5 | O=C(c1ccccc1)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | ||
| 44579826 | 186505 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccn5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL491427 | 186505 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5ccccn5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 46226636 | 198245 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL594888 | 198245 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 46226627 | 198277 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595121 | 198277 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | ||
| 45481800 | 196821 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL577794 | 196821 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ncccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 70693071 | 76546 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 419 | 3 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070160 | 76546 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 419 | 3 | 1 | 5 | 3.7 | O=c1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cn1-c1ccccc1 | 10.1016/j.bmcl.2012.07.020 | ||
| 9908890 | 198126 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL594156 | 198126 | 0 | None | - | 0 | Rat | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 4.3 | O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44401616 | 69675 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL193970 | 69675 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 601 | 8 | 2 | 7 | 5.3 | CN(C)c1nc(NCC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 45481641 | 196161 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 477 | 4 | 1 | 4 | 4.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572442 | 196161 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 477 | 4 | 1 | 4 | 4.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45487632 | 195154 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL565826 | 195154 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 10477251 | 174059 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 1 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL455815 | 174059 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 420 | 1 | 1 | 3 | 6.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 44271373 | 59212 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17165 | 59212 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 3.0 | COc1ccc(NC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cn1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44271289 | 168612 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL440647 | 168612 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 493 | 12 | 1 | 5 | 5.2 | CCCCCCCCCCNC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71519170 | 85735 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312079 | 85735 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 390 | 5 | 1 | 4 | 4.3 | CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 20587808 | 187263 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL496327 | 187263 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 377 | 2 | 1 | 6 | 3.0 | COC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 18004934 | 196496 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 3.2 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574996 | 196496 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 427 | 3 | 1 | 4 | 3.2 | CC(=O)c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | ||
| 45487631 | 195122 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL565626 | 195122 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cnccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 46226612 | 200053 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL606631 | 200053 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 10133076 | 192643 | 3 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.1 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL523819 | 192643 | 3 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.1 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 70695118 | 76532 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070146 | 76532 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 3 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3F)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 9895868 | 69224 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL193438 | 69224 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 9895868 | 12775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL1188966 | 12775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL537846 | 12775 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 615 | 9 | 2 | 7 | 5.6 | CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 45481811 | 196462 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574771 | 196462 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 468 | 3 | 1 | 5 | 4.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4cscn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 46226575 | 200166 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL607192 | 200166 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 10314778 | 63626 | 1 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 333 | 5 | 1 | 5 | 4.6 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL180692 | 63626 | 1 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 333 | 5 | 1 | 5 | 4.6 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 44271355 | 59325 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17214 | 59325 | 0 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 500 | 4 | 1 | 7 | 4.5 | Cc1ccc2nc(NC(=O)C3CCN(C(=O)Cn4c(=O)sc5ccc(Cl)cc54)CC3)sc2c1 | 10.1016/s0960-894x(02)00113-0 | ||
| 71519165 | 85729 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312073 | 85729 | 0 | None | - | 0 | Mouse | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 68615948 | 124904 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.8 | N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 | nan | ||
| CHEMBL3646131 | 124904 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 431 | 5 | 2 | 5 | 3.8 | N#Cc1ccccc1C(=O)N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1 | nan | ||
| 68605737 | 124912 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 397 | 5 | 2 | 5 | 4.2 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 | nan | ||
| CHEMBL3646139 | 124912 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 397 | 5 | 2 | 5 | 4.2 | O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 | nan | ||
| 1562 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 5312114 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17645 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL195380 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
| 45487565 | 197335 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL585851 | 197335 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44583556 | 187155 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL495593 | 187155 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 45487565 | 197335 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL585851 | 197335 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 46226635 | 198438 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL596266 | 198438 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ccncc21 | 10.1016/j.bmc.2009.08.019 | ||
| 1562 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
| 5312114 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL17645 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL195380 | 884 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
| 9867212 | 104403 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL311229 | 104403 | 0 | None | - | 0 | Rat | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44271267 | 98317 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL278280 | 98317 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 473 | 6 | 2 | 6 | 3.1 | O=C(Nc1ccc(CCO)cc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 60197259 | 85731 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312075 | 85731 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 10831203 | 118935 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 4.2 | CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL345082 | 118935 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 306 | 3 | 1 | 3 | 4.2 | CCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44580745 | 192796 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 2.6 | CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL525908 | 192796 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 2 | 2 | 5 | 2.6 | CNC(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 44312754 | 102923 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 3 | 6 | 4.3 | Nc1ccccc1S(=O)(=O)NCC1CCC(c2cc(N)n(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL3084800 | 102923 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 493 | 6 | 3 | 6 | 4.3 | Nc1ccccc1S(=O)(=O)NCC1CCC(c2cc(N)n(-c3ccc(C(F)(F)F)cc3)n2)CC1 | 10.1016/s0960-894x(01)00448-6 | ||
| 22934129 | 202378 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc2c(c1)CCCc1nc(-c3ccncc3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL7017 | 202378 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1ccc2c(c1)CCCc1nc(-c3ccncc3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | ||
| 44583505 | 187451 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL497644 | 187451 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 468 | 2 | 1 | 5 | 4.9 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(C(F)(F)F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44579806 | 186395 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 1 | 1 | 4 | 4.2 | N#Cc1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL490608 | 186395 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 343 | 1 | 1 | 4 | 4.2 | N#Cc1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | ||
| 44460681 | 203678 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | O=C(c1ccccc1F)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL80041 | 203678 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 453 | 4 | 1 | 4 | 5.5 | O=C(c1ccccc1F)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461118 | 204216 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 6 | 1 | 5 | 5.4 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL84285 | 204216 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 451 | 6 | 1 | 5 | 5.4 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10368454 | 12695 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1188311 | 12695 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL536048 | 12695 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 457 | 6 | 1 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | ||
| 10872843 | 102452 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL306277 | 102452 | 0 | None | - | 1 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 390 | 7 | 2 | 3 | 4.9 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 10044852 | 131952 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 5.0 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL369763 | 131952 | 1 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 373 | 4 | 1 | 5 | 5.0 | N#Cc1cccc(Nc2ncc(C(=O)c3ccccc3C(F)(F)F)s2)c1 | 10.1016/j.bmcl.2005.01.063 | ||
| 44370240 | 47572 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 2.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL154889 | 47572 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 435 | 6 | 3 | 5 | 2.6 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | ||
| 18004985 | 186645 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492582 | 186645 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 460 | 4 | 1 | 3 | 5.2 | CS(=O)(=O)N1C[C@]2(CC[C@@H](C(=O)Nc3ccc(-c4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44271463 | 59997 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17441 | 59997 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 307 | 6 | 3 | 5 | 3.0 | NCCCCNc1nc(N)c2cc(-c3ccccc3)ccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| 71450852 | 78158 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 8 | 3 | 5 | 2.8 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL2112218 | 78158 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 490 | 8 | 3 | 5 | 2.8 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1=NC2CCc3cc(F)ccc3C2C1 | 10.1016/s0960-894x(99)00676-9 | ||
| 44460704 | 204024 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 6 | 1 | 6 | 4.1 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82710 | 204024 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 429 | 6 | 1 | 6 | 4.1 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)COC(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 9934437 | 102952 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 9 | 2 | 3 | 5.2 | C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| CHEMBL3084890 | 102952 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 470 | 9 | 2 | 3 | 5.2 | C=CCC1c2ccc(F)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| 11754800 | 12743 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1188721 | 12743 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL537191 | 12743 | 0 | None | - | 0 | Rat | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 441 | 5 | 1 | 5 | 4.1 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| 70697154 | 76538 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070152 | 76538 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 44271460 | 60011 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 13 | 2 | 5 | 7.1 | CCCCN(CCCC)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17450 | 60011 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 473 | 13 | 2 | 5 | 7.1 | CCCCN(CCCC)CCCNc1nc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44377734 | 119346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 4.4 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL348806 | 119346 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 491 | 8 | 2 | 4 | 4.4 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| 44460868 | 167549 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 7 | 2 | 6 | 4.6 | CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL432931 | 167549 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 513 | 7 | 2 | 6 | 4.6 | CC(C)N1CCN(CC(=O)N[C@H]2CC[C@H](CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10451123 | 105127 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 5.0 | Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL312308 | 105127 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 5.0 | Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44460712 | 105019 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL312169 | 105019 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | COCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44344259 | 112581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL331319 | 112581 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 542 | 11 | 3 | 5 | 3.6 | N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| 9891987 | 101031 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2ccccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL298037 | 101031 | 0 | None | - | 0 | Human | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 495 | 6 | 2 | 6 | 4.2 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2ccccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 71519004 | 85727 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312071 | 85727 | 0 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 9949840 | 28505 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 2 | 1 | 3 | 4.5 | Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137808 | 28505 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 340 | 2 | 1 | 3 | 4.5 | Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10638643 | 116198 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 309 | 2 | 0 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL337305 | 116198 | 0 | None | - | 0 | Human | 6.7 | pIC50 | = | 6.7 | Binding | ChEMBL | 309 | 2 | 0 | 4 | 4.7 | Cc1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10970360 | 167938 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 357 | 5 | 0 | 3 | 4.8 | CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL435384 | 167938 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 357 | 5 | 0 | 3 | 4.8 | CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44390066 | 63486 | 1 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 4.0 | COc1ccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)cc1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL180251 | 63486 | 1 | None | - | 0 | Mouse | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 335 | 5 | 1 | 6 | 4.0 | COc1ccc(C(=O)c2cnc(Nc3cccc(C#N)c3)s2)cc1 | 10.1016/j.bmcl.2005.01.063 | ||
| 11110676 | 10054 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL115911 | 10054 | 0 | None | - | 0 | Human | 5.7 | pIC50 | = | 5.7 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CC(=O)NCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44313057 | 102656 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL307902 | 102656 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4N)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44573614 | 186615 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL492375 | 186615 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44573614 | 186615 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492375 | 186615 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cccc(-c4ccncc4)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44460842 | 203820 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 6 | 2 | 5 | 3.5 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81000 | 203820 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 383 | 6 | 2 | 5 | 3.5 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(-c3ccc(F)cc3)cs2)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 11757324 | 102930 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 10 | 2 | 5 | 5.2 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL3084865 | 102930 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 10 | 2 | 5 | 5.2 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3F)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| 10051835 | 13880 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | ||
| CHEMBL1197071 | 13880 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | ||
| CHEMBL559210 | 13880 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 467 | 4 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | ||
| 10860014 | 110117 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.3 | O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1 | 10.1021/jm011125x | ||
| CHEMBL325666 | 110117 | 1 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 315 | 4 | 2 | 2 | 4.3 | O=C(CCc1ccncc1)Nc1ccc2[nH]c3ccccc3c2c1 | 10.1021/jm011125x | ||
| 10519375 | 29163 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.6 | c1ccc(-c2cc3nc[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL138383 | 29163 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 278 | 2 | 1 | 3 | 3.6 | c1ccc(-c2cc3nc[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 10430847 | 202998 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL74161 | 202998 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3ncccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44313570 | 168561 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL440310 | 168561 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2c(F)cccc2F)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 9806557 | 168929 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 7 | 3 | 4 | 4.3 | O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL44338 | 168929 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 515 | 7 | 3 | 4 | 4.3 | O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 10298981 | 203636 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.3 | CN1CCN(CC(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79714 | 203636 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 471 | 5 | 1 | 6 | 3.3 | CN1CCN(CC(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44379363 | 57231 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 11 | 3 | 6 | 4.0 | COc1ccc2c(c1)C(O)(CNCCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL166399 | 57231 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 551 | 11 | 3 | 6 | 4.0 | COc1ccc2c(c1)C(O)(CNCCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 10935409 | 203356 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 298 | 5 | 1 | 2 | 4.7 | CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77355 | 203356 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 298 | 5 | 1 | 2 | 4.7 | CC[C@@H](C)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 12078328 | 118265 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 4 | 1 | 4 | 3.8 | COc1ccc(Cc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL342042 | 118265 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 336 | 4 | 1 | 4 | 3.8 | COc1ccc(Cc2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 9807658 | 64200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL181466 | 64200 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 551 | 8 | 2 | 6 | 6.1 | CN(C)c1nc(NC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 44460812 | 203887 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 484 | 7 | 1 | 7 | 4.3 | COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CCN4CCCCC4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81611 | 203887 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 484 | 7 | 1 | 7 | 4.3 | COc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)CCN4CCCCC4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 10111849 | 203161 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 4.2 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL75823 | 203161 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 404 | 5 | 2 | 5 | 4.2 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 22934130 | 202255 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 290 | 2 | 1 | 2 | 4.2 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL6938 | 202255 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 290 | 2 | 1 | 2 | 4.2 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 71518998 | 85721 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 330 | 6 | 1 | 4 | 3.0 | CCS(=O)(=O)c1ccc2[nH]c(OCCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312065 | 85721 | 0 | None | - | 0 | Mouse | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 330 | 6 | 1 | 4 | 3.0 | CCS(=O)(=O)c1ccc2[nH]c(OCCc3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 44460798 | 103650 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)c4ccccn4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL309449 | 103650 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 434 | 4 | 1 | 6 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)c4ccccn4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460830 | 103900 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 1 | 4 | 4.1 | CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL310292 | 103900 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 361 | 6 | 1 | 4 | 4.1 | CN(C)C(=O)CCCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 | 10.1016/j.bmcl.2004.03.014 | ||
| 10414854 | 13053 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | ||
| CHEMBL1190951 | 13053 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | ||
| CHEMBL541891 | 13053 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2=O | 10.1021/jm049599u | ||
| 9936263 | 100745 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.4 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL296022 | 100745 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 513 | 6 | 2 | 6 | 4.4 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 10831332 | 27767 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 308 | 2 | 2 | 4 | 2.9 | Cc1nc(N2CCC(O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137236 | 27767 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 308 | 2 | 2 | 4 | 2.9 | Cc1nc(N2CCC(O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44580593 | 187267 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL496345 | 187267 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | ||
| 10810784 | 27365 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL136944 | 27365 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 360 | 2 | 1 | 3 | 4.9 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 | 10.1021/jm000269t | ||
| 44288067 | 165797 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL42747 | 165797 | 0 | None | - | 0 | Human | 4.6 | pIC50 | = | 4.6 | Binding | ChEMBL | 513 | 9 | 5 | 4 | 3.2 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N1CCCc2cc(O)ccc2C1 | 10.1016/s0960-894x(00)00292-4 | ||
| 9799669 | 204086 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL83255 | 204086 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 46226642 | 198094 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL593935 | 198094 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 11753885 | 12742 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1188718 | 12742 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| CHEMBL537187 | 12742 | 0 | None | - | 0 | Rat | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 421 | 5 | 1 | 5 | 3.8 | CC(=O)c1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1 | 10.1021/jm049599u | ||
| 44289890 | 165644 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.5 | O=C(CN1CC[C@H](NC(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42658 | 165644 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 486 | 7 | 2 | 4 | 3.5 | O=C(CN1CC[C@H](NC(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 11792487 | 28481 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(NCc2ccc(C)o2)[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137786 | 28481 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 318 | 4 | 2 | 4 | 4.4 | Cc1nc2cc(-c3ccccc3)nc-2c(NCc2ccc(C)o2)[nH]1 | 10.1021/jm000269t | ||
| 44288390 | 161273 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL41457 | 161273 | 0 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 491 | 11 | 5 | 3 | 3.5 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccc(Cl)cc1)C(=O)NCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| 44313241 | 203230 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 6.2 | Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL76413 | 203230 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 436 | 5 | 2 | 4 | 6.2 | Cc1cc(C(=O)Nc2ccccc2Nc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44344208 | 13381 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL119355 | 13381 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| 44344455 | 102949 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 2 | 4 | 5.2 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1021/jm990468g | ||
| CHEMBL3084886 | 102949 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 521 | 9 | 2 | 4 | 5.2 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1021/jm990468g | ||
| 11143423 | 11523 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 4 | 1 | 4 | 4.6 | CCOc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL118098 | 11523 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 381 | 4 | 1 | 4 | 4.6 | CCOc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 44573532 | 186869 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL493997 | 186869 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 1305 | 508 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
| 9934033 | 508 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL182150 | 508 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
| 44370177 | 168625 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 6 | 3 | 5 | 4.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL440735 | 168625 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 505 | 6 | 3 | 5 | 4.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10498512 | 28445 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.6 | CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137758 | 28445 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.6 | CCCc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 22325323 | 192797 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL525918 | 192797 | 1 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4cc(F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 10159053 | 203647 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79849 | 203647 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44379102 | 158227 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL409418 | 158227 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 529 | 7 | 2 | 7 | 3.8 | COc1ccc2c(c1)C(O)(CNCC1CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 9892202 | 172003 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 3.9 | O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL44886 | 172003 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 500 | 7 | 2 | 4 | 3.9 | O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 44370266 | 45986 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 6 | 3 | 5 | 4.2 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL153522 | 45986 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 549 | 6 | 3 | 5 | 4.2 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10666064 | 29046 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 3.7 | CN(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL138278 | 29046 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 321 | 3 | 1 | 4 | 3.7 | CN(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 11811424 | 203257 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.4 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(=N/c1ccc(Cc2ccccc2)cc1)NC#N | 10.1021/jm0004547 | ||
| CHEMBL76549 | 203257 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 398 | 6 | 2 | 3 | 4.4 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(=N/c1ccc(Cc2ccccc2)cc1)NC#N | 10.1021/jm0004547 | ||
| 10617383 | 26999 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 3 | 2 | 4 | 3.7 | CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL136650 | 26999 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 307 | 3 | 2 | 4 | 3.7 | CNc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44312955 | 202782 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 422 | 5 | 2 | 5 | 4.4 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL72547 | 202782 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 422 | 5 | 2 | 5 | 4.4 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44460883 | 105134 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 5.0 | O=C(CN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL312361 | 105134 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 470 | 6 | 2 | 5 | 5.0 | O=C(CN1CCCCC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460964 | 163076 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL420399 | 163076 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CN(C)CCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10903122 | 203209 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.3 | COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL76265 | 203209 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 314 | 5 | 2 | 3 | 3.3 | COc1ccc(NC(=O)N(C)[C@H](C)[C@@H](O)c2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 44313494 | 104256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.0 | Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL310694 | 104256 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 435 | 5 | 1 | 3 | 6.0 | Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 10807285 | 27532 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2C)[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137058 | 27532 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.3 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2C)[nH]1 | 10.1021/jm000269t | ||
| 68595241 | 124910 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 4 | 2 | 4 | 4.2 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | ||
| CHEMBL3646137 | 124910 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 4 | 2 | 4 | 4.2 | O=C(N[C@H]1CC[C@@H](c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccon1 | nan | ||
| 44573743 | 187096 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL495200 | 187096 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44573704 | 192679 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL524044 | 192679 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 18004938 | 196772 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL577398 | 196772 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4cccc(F)c4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 11824465 | 10219 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 4.4 | CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL116210 | 10219 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 4.4 | CC(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 9884833 | 110050 | 36 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL325226 | 110050 | 36 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 11002751 | 167516 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 4.4 | CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL432628 | 167516 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 355 | 2 | 1 | 3 | 4.4 | CC(C)n1c2ccc(F)cc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| 45487608 | 195161 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL565848 | 195161 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4F)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 18004920 | 186721 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 478 | 4 | 2 | 4 | 4.1 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492999 | 186721 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 478 | 4 | 2 | 4 | 4.1 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44573743 | 187096 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL495200 | 187096 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44573704 | 192679 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL524044 | 192679 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44271565 | 97666 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL273597 | 97666 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 461 | 6 | 3 | 6 | 4.3 | Nc1nc(N[C@H]2CC[C@H](CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461196 | 104251 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.4 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL310670 | 104251 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 456 | 7 | 1 | 5 | 4.4 | CN(CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)CC1CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461199 | 203831 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.2 | COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81103 | 203831 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 486 | 7 | 1 | 6 | 4.2 | COC[C@@H]1CCCN1CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461018 | 204154 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 4.0 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL83830 | 204154 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 4.0 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 1504 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 1518 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 1521 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 24868177 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 44288922 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 77068007 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 90479759 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| CHEMBL438945 | 2757 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 71458606 | 80927 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 5 | 1 | 6 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(OC)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159172 | 80927 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 401 | 5 | 1 | 6 | 2.9 | CCS(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccc(OC)cc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 91755093 | 127960 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 6 | 2 | 6 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | ||
| CHEMBL3666796 | 127960 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 370 | 6 | 2 | 6 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)no2)CC1 | nan | ||
| 45487630 | 195121 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL565625 | 195121 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4cccc(OCF)c4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44579827 | 192094 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5cccnc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL521959 | 192094 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 395 | 2 | 1 | 4 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(-c5cccnc5)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 11013840 | 203349 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77273 | 203349 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 45481642 | 196164 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572456 | 196164 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 451 | 3 | 1 | 5 | 3.2 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4cccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45481801 | 196652 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL576333 | 196652 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(OC)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 68597664 | 124907 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 412 | 5 | 2 | 7 | 3.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21 | nan | ||
| CHEMBL3646134 | 124907 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 412 | 5 | 2 | 7 | 3.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccon4)CC3)ccc21 | nan | ||
| 18004996 | 196335 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL573858 | 196335 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 25067562 | 186378 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL490427 | 186378 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)o1 | 10.1016/j.bmcl.2008.08.021 | ||
| 44271208 | 162690 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 488 | 6 | 2 | 7 | 2.5 | Cc1cccc(C(O)CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)n1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL418546 | 162690 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 488 | 6 | 2 | 7 | 2.5 | Cc1cccc(C(O)CNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)n1 | 10.1016/s0960-894x(02)00113-0 | ||
| 18004890 | 196198 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572688 | 196198 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 465 | 4 | 1 | 5 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45481805 | 196694 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 469 | 3 | 1 | 6 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL576726 | 196694 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 469 | 3 | 1 | 6 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44583588 | 192329 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL522237 | 192329 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 406 | 2 | 1 | 6 | 3.9 | O=C1OC2(CCN(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 10110741 | 187407 | 3 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497359 | 187407 | 3 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44583558 | 192447 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL522378 | 192447 | 0 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 388 | 2 | 1 | 5 | 3.6 | O=C1OC2(CCN(C(=O)Nc3cn(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 91755095 | 127965 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 6 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | ||
| CHEMBL3666800 | 127965 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 369 | 6 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | ||
| 9822252 | 183523 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 3.4 | O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL482667 | 183523 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 2 | 2 | 4 | 3.4 | O=C1NC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44379085 | 56869 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 3.9 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL164873 | 56869 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 3.9 | COc1ccc2c(c1)CC(NCC1CCN(C(=O)CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 71519168 | 85733 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.5 | CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312077 | 85733 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 384 | 5 | 1 | 4 | 4.5 | CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 46912713 | 124901 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 441 | 5 | 2 | 5 | 4.0 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 | nan | ||
| CHEMBL3646128 | 124901 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 441 | 5 | 2 | 5 | 4.0 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(Cl)n1 | nan | ||
| 44271318 | 97975 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL275642 | 97975 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 45481803 | 196162 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572450 | 196162 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 469 | 3 | 1 | 5 | 3.4 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44583395 | 187250 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(Cl)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL496197 | 187250 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 434 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3ncc(-c4ccc(Cl)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 11509561 | 198035 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL593466 | 198035 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ncccc21 | 10.1016/j.bmc.2009.08.019 | ||
| 10613667 | 22838 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 4.2 | Cc1nc(N2CCCCC2)c2oc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL133032 | 22838 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 293 | 2 | 0 | 4 | 4.2 | Cc1nc(N2CCCCC2)c2oc(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10161870 | 202938 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.0 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL73643 | 202938 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 463 | 7 | 2 | 7 | 4.0 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(N(C)C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 10154767 | 187678 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 3 | 1 | 2 | 4.6 | Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL499973 | 187678 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 348 | 3 | 1 | 2 | 4.6 | Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10414311 | 12688 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL1188255 | 12688 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL535824 | 12688 | 0 | None | - | 0 | Rat | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 483 | 4 | 2 | 5 | 4.6 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4O)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| 44289909 | 162998 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42031 | 162998 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | ||
| 44344633 | 110886 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 330 | 6 | 1 | 3 | 3.9 | O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | ||
| CHEMBL327151 | 110886 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 330 | 6 | 1 | 3 | 3.9 | O=C(CCc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | ||
| 44573565 | 186899 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 349 | 3 | 2 | 3 | 3.8 | Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL494174 | 186899 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 349 | 3 | 2 | 3 | 3.8 | Nc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10433145 | 13848 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | ||
| CHEMBL1196846 | 13848 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | ||
| CHEMBL558393 | 13848 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | ||
| 44401671 | 69908 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL194173 | 69908 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 587 | 7 | 1 | 7 | 4.9 | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 44313039 | 102666 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL308034 | 102666 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4cccc(N)c4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44289818 | 168568 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Oc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL44036 | 168568 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 515 | 7 | 2 | 4 | 5.6 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)Oc1ccccc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 11204090 | 69478 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL193771 | 69478 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(NC2CCC(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 70693068 | 76536 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070150 | 76536 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 44377915 | 56862 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 8 | 2 | 4 | 4.2 | O=S(=O)(NCCN1CC(CNC2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL164805 | 56862 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 497 | 8 | 2 | 4 | 4.2 | O=S(=O)(NCCN1CC(CNC2CCCc3ccc(Cl)cc3C2)C1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| 10848957 | 28261 | 13 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137572 | 28261 | 13 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10872140 | 53713 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| CHEMBL160595 | 53713 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1cccc2ccccc12)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| 71519000 | 85723 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312067 | 85723 | 0 | None | - | 0 | Mouse | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccccc3C(F)(F)F)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 10522130 | 28205 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 318 | 3 | 1 | 3 | 4.4 | c1ccc(-c2cc3nc(C4CC4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL137530 | 28205 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 318 | 3 | 1 | 3 | 4.4 | c1ccc(-c2cc3nc(C4CC4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 22934144 | 96772 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL268654 | 96772 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 44573407 | 186862 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 334 | 3 | 1 | 2 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL493971 | 186862 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 334 | 3 | 1 | 2 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44390147 | 121618 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 5 | 1 | 4 | 5.7 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL359685 | 121618 | 0 | None | - | 0 | Mouse | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 376 | 5 | 1 | 4 | 5.7 | CCc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 44370179 | 164327 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 6 | 3 | 5 | 2.3 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL422150 | 164327 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 421 | 6 | 3 | 5 | 2.3 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10892838 | 12881 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.3 | Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL118973 | 12881 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.3 | Cn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 10522285 | 115733 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.5 | CCc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | ||
| CHEMBL335861 | 115733 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.5 | CCc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | ||
| 23283651 | 102939 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 10 | 2 | 5 | 6.3 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL3084875 | 102939 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 583 | 10 | 2 | 5 | 6.3 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| 11014171 | 103613 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 4 | 1 | 2 | 5.5 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCc2ccccc2C1 | 10.1021/jm0004547 | ||
| CHEMBL309370 | 103613 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 372 | 4 | 1 | 2 | 5.5 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C1CCc2ccccc2C1 | 10.1021/jm0004547 | ||
| 11067876 | 10923 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL117626 | 10923 | 0 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.1 | CCn1c2ccccc2c2cc(CNC(=O)Cc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 136058111 | 201818 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL66371 | 201818 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 499 | 7 | 2 | 5 | 4.4 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4F)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| 11078514 | 203273 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 346 | 6 | 1 | 2 | 5.2 | CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL76661 | 203273 | 0 | None | - | 0 | Human | 7.5 | pIC50 | = | 7.5 | Binding | ChEMBL | 346 | 6 | 1 | 2 | 5.2 | CN(CCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 11003942 | 109896 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 3 | 1 | 5 | 2.3 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL324366 | 109896 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 402 | 3 | 1 | 5 | 2.3 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| 44344734 | 112387 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 6 | 1 | 4 | 4.0 | O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | ||
| CHEMBL331019 | 112387 | 1 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 348 | 6 | 1 | 4 | 4.0 | O=C(CSc1ccncc1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm011125x | ||
| 44573607 | 192260 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL522192 | 192260 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ncccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44313274 | 203008 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 5.6 | Cc1cc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL74252 | 203008 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 395 | 3 | 1 | 3 | 5.6 | Cc1cc(C(=O)Nc2cccc3ccccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44313223 | 102406 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 5.2 | Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL305922 | 102406 | 0 | None | - | 0 | Human | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 423 | 3 | 1 | 3 | 5.2 | Cc1cc(C(=O)Nc2cccc(Br)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 9903829 | 116168 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | CCN(CC)c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| CHEMBL337152 | 116168 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 280 | 4 | 1 | 3 | 3.7 | CCN(CC)c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| 22325346 | 172488 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL451955 | 172488 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 9806525 | 99777 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 8 | 2 | 4 | 3.8 | O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL288763 | 99777 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 514 | 8 | 2 | 4 | 3.8 | O=C(Cc1ccccc1)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| 22325338 | 192779 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL525543 | 192779 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 349 | 2 | 1 | 5 | 3.2 | COc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 44313042 | 169492 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL444319 | 169492 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 434 | 6 | 2 | 6 | 4.2 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc(C)c4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44312926 | 202904 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(F)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL73401 | 202904 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 438 | 6 | 2 | 6 | 4.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccc(F)cc4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44460713 | 203880 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 405 | 5 | 1 | 6 | 3.2 | COCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81551 | 203880 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 405 | 5 | 1 | 6 | 3.2 | COCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 9805850 | 165581 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 4.0 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42620 | 165581 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 496 | 6 | 2 | 5 | 4.0 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1 | 10.1016/s0960-894x(00)00311-5 | ||
| 21336511 | 56872 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL164897 | 56872 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| 44461145 | 203672 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL80006 | 203672 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 435 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 70684602 | 76540 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070154 | 76540 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 363 | 4 | 1 | 4 | 4.1 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)n3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10832634 | 27946 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137350 | 27946 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3c(F)cccc3F)cc2n1 | 10.1021/jm000269t | ||
| 11825270 | 203237 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 7 | 1 | 2 | 6.2 | CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL76439 | 203237 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 388 | 7 | 1 | 2 | 6.2 | CC(C)C(Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 25881665 | 179255 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
| CHEMBL4745232 | 179255 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
| 25881665 | 179255 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
| CHEMBL4745232 | 179255 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
| 70693069 | 76539 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070153 | 76539 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 5.0 | CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4ccccc4)ccc3C)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 135430853 | 101594 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL1744020 | 101594 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL302126 | 101594 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 451 | 6 | 2 | 4 | 4.3 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4ccccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| 44377452 | 119641 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(CNC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL351508 | 119641 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(CNC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44579807 | 192665 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 1 | 1 | 3 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL523964 | 192665 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 352 | 1 | 1 | 3 | 4.9 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 44573646 | 186674 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL492766 | 186674 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)n1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44289827 | 165072 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 5.2 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42437 | 165072 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 499 | 7 | 2 | 3 | 5.2 | O=C(NC[C@H]1CC[C@H](C(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)CC1)c1ccccc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 10052377 | 12703 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL1188389 | 12703 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL536276 | 12703 | 0 | None | - | 0 | Rat | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 483 | 6 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc(C(=O)c4ccccc4)cc3)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| 11035908 | 13898 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL119726 | 13898 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 44390162 | 64005 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 5.8 | Cc1cc(C(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL181250 | 64005 | 0 | None | - | 0 | Mouse | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 382 | 4 | 1 | 5 | 5.8 | Cc1cc(C(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)s2)c(C)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 18004995 | 186713 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 454 | 2 | 2 | 3 | 3.6 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492986 | 186713 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 454 | 2 | 2 | 3 | 3.6 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44461006 | 103668 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.8 | O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL309550 | 103668 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 443 | 4 | 1 | 6 | 3.8 | O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460920 | 164130 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.7 | CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL421714 | 164130 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 1 | 5 | 3.7 | CN(C)CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10139215 | 203945 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 5 | 1 | 5 | 4.6 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82080 | 203945 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 456 | 5 | 1 | 5 | 4.6 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10111791 | 204158 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 4.7 | CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL83860 | 204158 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 403 | 4 | 1 | 5 | 4.7 | CCOC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 101138140 | 104392 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | ||
| 10982716 | 104392 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL311159 | 104392 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 7 | 2 | 5 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1 | 10.1021/jm0004547 | ||
| 10959710 | 203354 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 374 | 4 | 2 | 3 | 5.2 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 | 10.1021/jm0004547 | ||
| CHEMBL77333 | 203354 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 374 | 4 | 2 | 3 | 5.2 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc2oc3ccccc3c2c1 | 10.1021/jm0004547 | ||
| 71519166 | 85730 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312074 | 85730 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 46912902 | 124902 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 2 | 2 | 5.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 | nan | ||
| CHEMBL3646129 | 124902 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 416 | 5 | 2 | 2 | 5.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccccc1 | nan | ||
| 68604357 | 124905 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 | nan | ||
| CHEMBL3646132 | 124905 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 407 | 5 | 2 | 4 | 4.4 | O=C(N[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3F)c2)CC1)c1ccon1 | nan | ||
| 9890550 | 192563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL523205 | 192563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45481795 | 196597 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL575858 | 196597 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 483 | 4 | 1 | 5 | 3.7 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccc(F)cc4)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 9890550 | 192563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL523205 | 192563 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 462 | 3 | 1 | 4 | 4.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccncc4)cc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 9840567 | 200978 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 5.2 | Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 | 10.1021/jm980521l | ||
| CHEMBL61488 | 200978 | 0 | None | - | 0 | Rat | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 332 | 3 | 0 | 2 | 5.2 | Cc1cc(N2CCCC2)cc(/C=C/c2cccc(C(F)(F)F)c2)n1 | 10.1021/jm980521l | ||
| 45481808 | 196639 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL576159 | 196639 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 451 | 3 | 1 | 4 | 4.3 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-c4ccco4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 9887226 | 198410 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL596031 | 198410 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 400 | 3 | 1 | 6 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 10018851 | 63524 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 4.3 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL180359 | 63524 | 1 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 319 | 4 | 1 | 5 | 4.3 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C#N)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 89973939 | 127961 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 383 | 5 | 2 | 5 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | ||
| CHEMBL3666797 | 127961 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 383 | 5 | 2 | 5 | 3.4 | CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)F)co2)CC1 | nan | ||
| 56836045 | 80919 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.7 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159164 | 80919 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 399 | 3 | 1 | 5 | 3.7 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(N3CCOC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 9923839 | 186447 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL490937 | 186447 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10293081 | 186648 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 4 | 1 | 4 | 4.2 | O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL492594 | 186648 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 379 | 4 | 1 | 4 | 4.2 | O=[N+]([O-])c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 71518999 | 85722 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 3.5 | CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312066 | 85722 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 366 | 6 | 1 | 4 | 3.5 | CCS(=O)(=O)c1ccc2[nH]c(OCC(F)(F)c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 9952231 | 198128 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL594163 | 198128 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44271377 | 58930 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17037 | 58930 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 429 | 4 | 1 | 5 | 3.6 | O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 46912987 | 124903 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 | nan | ||
| CHEMBL3646130 | 124903 | 0 | None | - | 0 | Mouse | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 421 | 5 | 2 | 5 | 4.1 | CC(C)n1c(=O)oc2cc(NC(=O)[C@H]3CC[C@@H](NC(=O)c4ccccc4)CC3)ccc21 | nan | ||
| 45487629 | 197337 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL585854 | 197337 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 448 | 5 | 1 | 7 | 4.0 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccccc4OCF)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44579863 | 186507 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1Cl | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL491436 | 186507 | 0 | None | - | 0 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 410 | 2 | 1 | 5 | 4.7 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1Cl | 10.1016/j.bmcl.2008.08.021 | ||
| 20629114 | 73086 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2016681 | 73086 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | ||
| 20629114 | 73086 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2016681 | 73086 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | ||
| 9952232 | 198276 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL595120 | 198276 | 0 | None | - | 0 | Rat | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 1 | 6 | 3.5 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cnn(-c4ccccc4)c3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 44271284 | 57768 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL16740 | 57768 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 459 | 4 | 2 | 6 | 3.6 | Cc1cc(O)ccc1NC(=O)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 44271318 | 97975 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL275642 | 97975 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 504 | 4 | 1 | 7 | 4.4 | O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 22325320 | 183613 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 1 | 1 | 4 | 3.5 | O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL483252 | 183613 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 355 | 1 | 1 | 4 | 3.5 | O=C1OC2(CCN(c3nc4cc(F)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44573648 | 172183 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)ccn1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL451113 | 172183 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1cc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)ccn1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10273149 | 186929 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 1 | 2 | 5.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL494398 | 186929 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 412 | 3 | 1 | 2 | 5.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Br)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 45481797 | 196638 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL576158 | 196638 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 495 | 5 | 1 | 6 | 3.6 | CCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4OC)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44401508 | 69463 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL193666 | 69463 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 10 | 2 | 6 | 3.6 | CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 | 10.1016/j.bmcl.2005.03.052 | ||
| 56835976 | 80731 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.2 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2158014 | 80731 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 398 | 5 | 1 | 5 | 3.2 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCN(C)C(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 44344629 | 109839 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 365 | 2 | 1 | 4 | 3.6 | O=C(Nc1ccc2c(c1)c1ccccc1n2C1CCOC1)N1CCOCC1 | 10.1021/jm011125x | ||
| CHEMBL324028 | 109839 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 365 | 2 | 1 | 4 | 3.6 | O=C(Nc1ccc2c(c1)c1ccccc1n2C1CCOC1)N1CCOCC1 | 10.1021/jm011125x | ||
| 44312981 | 202712 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 4.5 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL72133 | 202712 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 418 | 5 | 2 | 5 | 4.5 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44461040 | 203603 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.3 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79500 | 203603 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 421 | 4 | 1 | 5 | 4.3 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(F)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 9867212 | 104403 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL311229 | 104403 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44344352 | 102940 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 4.8 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| CHEMBL3084876 | 102940 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 535 | 8 | 2 | 4 | 4.8 | O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| 70695119 | 76535 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070149 | 76535 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 4 | 1 | 3 | 5.3 | CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3Cl)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10715854 | 28059 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 3 | 1 | 4 | 4.6 | c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 | 10.1021/jm000269t | ||
| CHEMBL137428 | 28059 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 361 | 3 | 1 | 4 | 4.6 | c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 | 10.1021/jm000269t | ||
| 10667094 | 116284 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 5 | 2 | 5 | 2.7 | Cc1nc(NCCN2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL337815 | 116284 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 337 | 5 | 2 | 5 | 2.7 | Cc1nc(NCCN2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 70695117 | 76525 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070139 | 76525 | 0 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10642181 | 164599 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL422816 | 164599 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1ccc(-c2cc3[nH]c(C)nc(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 45481643 | 196369 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 3 | 1 | 6 | 2.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574089 | 196369 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 452 | 3 | 1 | 6 | 2.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(-n4nccn4)cc3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44460789 | 203586 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 2.9 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79302 | 203586 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 460 | 5 | 1 | 7 | 2.9 | O=C(CN1CCOCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44401460 | 70548 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL195123 | 70548 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 391 | 7 | 2 | 6 | 2.5 | CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 71519001 | 85724 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312068 | 85724 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 44370176 | 51301 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 6 | 3 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL158344 | 51301 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 485 | 6 | 3 | 5 | 3.8 | Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)cc1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10644957 | 118819 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 | 10.1021/jm000269t | ||
| CHEMBL344228 | 118819 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 368 | 3 | 1 | 3 | 5.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2n1 | 10.1021/jm000269t | ||
| 10421577 | 202189 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL6893 | 202189 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1 | 10.1016/s0960-894x(02)00090-2 | ||
| 44573616 | 192500 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL522702 | 192500 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 461 | 3 | 1 | 3 | 4.7 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3-c3ccccc3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44313596 | 105363 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 4 | 5.4 | Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL312748 | 105363 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 429 | 4 | 1 | 4 | 5.4 | Cc1cc(C(=O)Nc2cccc(OC(F)(F)F)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44312927 | 102596 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 2 | 7 | 3.3 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL307462 | 102596 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 421 | 6 | 2 | 7 | 3.3 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4ccccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 10497816 | 27465 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3F)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137008 | 27465 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 310 | 2 | 1 | 3 | 4.1 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3F)cc2n1 | 10.1021/jm000269t | ||
| 44573531 | 192586 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 4.5 | CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL523364 | 192586 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 4 | 1 | 3 | 4.5 | CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 70693067 | 76528 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070142 | 76528 | 0 | None | - | 0 | Mouse | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 368 | 4 | 1 | 3 | 4.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 11110677 | 10930 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21 | 10.1021/jm011125x | ||
| CHEMBL117684 | 10930 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cccc(NC(=O)CCc3ccncc3)c21 | 10.1021/jm011125x | ||
| 23283666 | 102938 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 6.9 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1 | 10.1021/jm990468g | ||
| CHEMBL3084874 | 102938 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 582 | 10 | 2 | 4 | 6.9 | COc1ccc2c(c1)CCC(NC[C@H]1CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC1)C2Cc1ccccc1 | 10.1021/jm990468g | ||
| 11727519 | 53475 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 339 | 6 | 2 | 2 | 4.7 | O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| CHEMBL160389 | 53475 | 0 | None | - | 0 | Human | 6.4 | pIC50 | = | 6.4 | Binding | ChEMBL | 339 | 6 | 2 | 2 | 4.7 | O=C(CCCc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| 10596340 | 114981 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL335145 | 114981 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 350 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(C34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cc2n1 | 10.1021/jm000269t | ||
| 44377450 | 55274 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL162093 | 55274 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44579809 | 192661 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL523943 | 192661 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 396 | 1 | 1 | 3 | 5.0 | O=C1O[C@]2(CC[C@H](c3nc4cc(Br)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 18735143 | 162936 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42020 | 162936 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 482 | 6 | 2 | 5 | 3.6 | CC(C)(C)OC(=O)NC1CCN(CC(=O)NC2CCc3cc(F)ccc3C2Cc2cccnc2)C1 | 10.1016/s0960-894x(00)00311-5 | ||
| 10429613 | 162775 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL419086 | 162775 | 0 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 11001068 | 203351 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 300 | 4 | 3 | 3 | 3.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77311 | 203351 | 0 | None | - | 0 | Human | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 300 | 4 | 3 | 3 | 3.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(O)cc1 | 10.1021/jm0004547 | ||
| 22934131 | 96577 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL266904 | 96577 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3ccccn3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 10833009 | 28108 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 4 | 1 | 3 | 4.8 | CC(C)Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137464 | 28108 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 334 | 4 | 1 | 3 | 4.8 | CC(C)Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44390369 | 64264 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL181727 | 64264 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 629 | 9 | 1 | 7 | 5.9 | CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 70695116 | 76524 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 300 | 4 | 1 | 3 | 3.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070138 | 76524 | 0 | None | - | 0 | Mouse | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 300 | 4 | 1 | 3 | 3.4 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10005032 | 58895 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00177-3 | ||
| CHEMBL17022 | 58895 | 0 | None | - | 1 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(00)00177-3 | ||
| 44579808 | 172778 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL452726 | 172778 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.3 | O=C1O[C@]2(CC[C@H](c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 9967563 | 187062 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL495036 | 187062 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cncnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 11002935 | 51778 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| CHEMBL158732 | 51778 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 361 | 4 | 2 | 2 | 5.1 | O=C(Cc1ccc2ccccc2c1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| 44370214 | 46728 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 547 | 9 | 3 | 5 | 5.7 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL154168 | 46728 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 547 | 9 | 3 | 5 | 5.7 | CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10517831 | 114844 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)nc2n1 | 10.1021/jm000269t | ||
| CHEMBL334960 | 114844 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 293 | 2 | 1 | 4 | 3.3 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)nc2n1 | 10.1021/jm000269t | ||
| 44390499 | 129122 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL367355 | 129122 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 579 | 8 | 2 | 6 | 6.0 | CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 10496226 | 27861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 324 | 3 | 1 | 4 | 4.3 | CSc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137296 | 27861 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 324 | 3 | 1 | 4 | 4.3 | CSc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44313099 | 102593 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 5.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL307458 | 102593 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 470 | 6 | 2 | 6 | 5.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44370215 | 168478 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 6 | 3 | 5 | 2.9 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL439638 | 168478 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 455 | 6 | 3 | 5 | 2.9 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| 71519332 | 85736 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 5.2 | CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312080 | 85736 | 0 | None | - | 0 | Mouse | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 5 | 1 | 3 | 5.2 | CCS(=O)(=O)c1ccc2[nH]c(C(F)(F)c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 44287999 | 161925 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL41673 | 161925 | 0 | None | - | 0 | Human | 4.3 | pIC50 | = | 4.3 | Binding | ChEMBL | 471 | 11 | 4 | 3 | 3.2 | C[C@@H](NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| 44312707 | 203229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.8 | CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL76411 | 203229 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 461 | 7 | 2 | 6 | 4.8 | CNc1cc(-c2ccc(NS(=O)(=O)c3ccc(N(C)C)cc3)cc2)nn1-c1ccc(C)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44580504 | 192567 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 333 | 2 | 1 | 4 | 3.2 | O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL523235 | 192567 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 333 | 2 | 1 | 4 | 3.2 | O=C1OC2(CCN(Cc3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 45481806 | 196165 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 2 | 1 | 5 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572460 | 196165 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 460 | 2 | 1 | 5 | 3.8 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nc4cc(Cl)ccc4o3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 18004942 | 186923 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 420 | 2 | 2 | 3 | 2.9 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3Cl)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL494346 | 186923 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 420 | 2 | 2 | 3 | 2.9 | NS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccccc3Cl)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 44460453 | 103685 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL309685 | 103685 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 431 | 4 | 1 | 6 | 3.7 | O=C([C@H]1CCCO1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 9867212 | 104403 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL311229 | 104403 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 427 | 4 | 1 | 6 | 3.9 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)[C@H]4CCCO4)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461116 | 106639 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL316153 | 106639 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460972 | 203671 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 5.0 | O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL80003 | 203671 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 413 | 4 | 1 | 4 | 5.0 | O=C1CCCN1[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44344468 | 102951 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 3 | 4 | 4.7 | C=CCC1c2ccc(O)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| CHEMBL3084889 | 102951 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 468 | 9 | 3 | 4 | 4.7 | C=CCC1c2ccc(O)cc2CCC1NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| 44344599 | 109891 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL324311 | 109891 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 522 | 8 | 2 | 5 | 3.0 | O=C(CN1CC[C@H](NS(=O)(=O)c2ccccc2)C1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1021/jm990468g | ||
| 11133371 | 203430 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 6 | 2 | 3 | 5.7 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL78109 | 203430 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 410 | 6 | 2 | 3 | 5.7 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 | 10.1021/jm0004547 | ||
| 44579887 | 192481 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL522589 | 192481 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 400 | 2 | 1 | 6 | 4.6 | Cc1nc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)no1 | 10.1016/j.bmcl.2008.08.021 | ||
| 11792636 | 28866 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.0 | Cc1nc(N2CCCCC2)c2nc(CCc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL138118 | 28866 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 320 | 4 | 1 | 3 | 4.0 | Cc1nc(N2CCCCC2)c2nc(CCc3ccccc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 45481799 | 196367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574085 | 196367 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cnc4ccccc4c3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 46226606 | 200148 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| CHEMBL607088 | 200148 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 388 | 3 | 2 | 5 | 3.7 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21 | 10.1016/j.bmc.2009.08.019 | ||
| 9947469 | 186675 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL492778 | 186675 | 0 | None | - | 0 | Human | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 23442561 | 67203 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL189810 | 67203 | 0 | None | - | 0 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2cccc(F)c2)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| 22325333 | 183735 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL484268 | 183735 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.5 | O=C1OC2(CCN(c3nc4c(Cl)cc(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 9866472 | 187279 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 2 | 1 | 5 | 3.8 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL496393 | 187279 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 414 | 2 | 1 | 5 | 3.8 | O=C1Cc2ccccc2C2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)O1 | 10.1016/j.bmcl.2009.05.013 | ||
| 22934124 | 161214 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 260 | 1 | 1 | 1 | 4.2 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)cc1 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL414020 | 161214 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 260 | 1 | 1 | 1 | 4.2 | c1ccc(-c2nc3c([nH]2)-c2ccccc2CCC3)cc1 | 10.1016/s0960-894x(02)00090-2 | ||
| 25211875 | 192038 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL521750 | 192038 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 7 | 3.5 | Cn1nnc(-c2ccc3[nH]c([C@H]4CC[C@@]5(CC4)OC(=O)c4ccccc45)nc3c2)n1 | 10.1016/j.bmcl.2008.08.021 | ||
| 10098098 | 12801 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL1189130 | 12801 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL538079 | 12801 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4c(c3)-c3ccccc3C4=O)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| 9984570 | 12957 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL1190216 | 12957 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL540365 | 12957 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 496 | 5 | 1 | 5 | 5.7 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(C)c54)CC3)ccc21 | 10.1021/jm049599u | ||
| 44580546 | 187540 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4c(F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL498396 | 187540 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 337 | 1 | 1 | 4 | 3.4 | O=C1OC2(CCN(c3nc4c(F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 10981271 | 203388 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77719 | 203388 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 360 | 6 | 1 | 2 | 5.6 | C[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 11068838 | 103092 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL308625 | 103092 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 22325347 | 187492 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497972 | 187492 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4c(Cl)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44573534 | 192467 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 364 | 4 | 1 | 3 | 4.3 | COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL522513 | 192467 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 364 | 4 | 1 | 3 | 4.3 | COc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10640471 | 28929 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 4 | 4.1 | CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | ||
| CHEMBL138172 | 28929 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 334 | 3 | 1 | 4 | 4.1 | CC(=O)c1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | ||
| 9905079 | 28297 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 4.1 | Cc1nc2cc(-c3ccccc3)nc-2c(N(C)Cc2ccco2)[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137613 | 28297 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 318 | 4 | 1 | 4 | 4.1 | Cc1nc2cc(-c3ccccc3)nc-2c(N(C)Cc2ccco2)[nH]1 | 10.1021/jm000269t | ||
| 44263876 | 96550 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.9 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL266637 | 96550 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 276 | 2 | 1 | 2 | 3.9 | COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 44377691 | 56836 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 8 | 3 | 5 | 4.0 | Nc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL164586 | 56836 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 506 | 8 | 3 | 5 | 4.0 | Nc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 9871208 | 178098 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.2 | O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL46799 | 178098 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 7 | 2 | 5 | 4.2 | O=C(CN1CCC(NC(=O)Oc2ccccc2)CC1)NC1CCc2cc(F)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 44313224 | 102539 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL306993 | 102539 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(Cl)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 10572176 | 27954 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.8 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2CN(C)C)[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137356 | 27954 | 0 | None | - | 0 | Human | 5.3 | pIC50 | = | 5.3 | Binding | ChEMBL | 349 | 4 | 1 | 4 | 3.8 | Cc1nc2cc(-c3ccccc3)nc-2c(N2CCCCC2CN(C)C)[nH]1 | 10.1021/jm000269t | ||
| 10688707 | 28057 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(C)c2n1 | 10.1021/jm000269t | ||
| CHEMBL137427 | 28057 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 306 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(C)c2n1 | 10.1021/jm000269t | ||
| 9889267 | 98408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL279073 | 98408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00018-5 | ||
| 44344283 | 12828 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 13 | 2 | 5 | 4.9 | COc1ccc2c(c1)CCC(NCCCCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| CHEMBL118931 | 12828 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 507 | 13 | 2 | 5 | 4.9 | COc1ccc2c(c1)CCC(NCCCCCCNS(=O)(=O)c1ccccc1)C2Cc1cccnc1 | 10.1021/jm990468g | ||
| 9889267 | 98408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL279073 | 98408 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 436 | 4 | 1 | 7 | 3.1 | O=C(Nc1nccs1)C1CCN(C(=O)Cn2c(=O)sc3ccc(Cl)cc32)CC1 | 10.1016/s0960-894x(02)00113-0 | ||
| 136058109 | 101672 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 6 | 2 | 4 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(Cl)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL302584 | 101672 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 6 | 2 | 4 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2=NC3CCc4cc(Cl)ccc4C3C2)CC1)c1ccccc1 | 10.1016/s0960-894x(99)00676-9 | ||
| 22054806 | 186861 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 2 | 4.0 | c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL493970 | 186861 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 298 | 3 | 1 | 2 | 4.0 | c1ccc(C2=NC(c3ccccc3)(c3ccccc3)CN2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 9902517 | 186900 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL494175 | 186900 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccs3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10437616 | 60172 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL175657 | 60172 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL557817 | 60172 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 516 | 5 | 1 | 5 | 6.0 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5c(Cl)cccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| 10590336 | 118889 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 300 | 3 | 2 | 3 | 4.7 | Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL344692 | 118889 | 1 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 300 | 3 | 2 | 3 | 4.7 | Cc1nc(Nc2ccccc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10518886 | 118905 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 3.6 | COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL344844 | 118905 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 308 | 3 | 1 | 4 | 3.6 | COc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44377722 | 56884 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL164971 | 56884 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 10254802 | 126691 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 5 | 1 | 6 | 5.2 | COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| CHEMBL365777 | 126691 | 0 | None | - | 0 | Rat | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 485 | 5 | 1 | 6 | 5.2 | COc1cccc2c1N(C1CCN(CC(=O)Nc3ccc4oc5ccccc5c4c3)CC1)C(=O)OC2 | 10.1021/jm049599u | ||
| 44580748 | 187298 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 3 | 2 | 6 | 2.6 | CS(=O)(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL496537 | 187298 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 412 | 3 | 2 | 6 | 2.6 | CS(=O)(=O)Nc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 44379364 | 57794 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)CC(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL167621 | 57794 | 0 | None | - | 0 | Human | 7.3 | pIC50 | = | 7.3 | Binding | ChEMBL | 551 | 10 | 3 | 6 | 3.7 | COc1ccc2c(c1)CC(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 10639971 | 28412 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 4.7 | Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137724 | 28412 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 4.7 | Cc1nc(-c2ccsc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 9880873 | 192582 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL523338 | 192582 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44390385 | 121988 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL360117 | 121988 | 0 | None | - | 0 | Human | 6.3 | pIC50 | = | 6.3 | Binding | ChEMBL | 565 | 9 | 2 | 6 | 6.4 | CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 10685661 | 118668 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 264 | 2 | 1 | 3 | 3.1 | Cc1nc(N2CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL343153 | 118668 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 264 | 2 | 1 | 3 | 3.1 | Cc1nc(N2CCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 136058112 | 202027 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 4.3 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL67768 | 202027 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 4.3 | COc1ccc2c(c1)CCC1N=C(NC[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| 44263987 | 202605 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 3.0 | c1ccc2c(c1)CCCc1nc(-c3c[nH]cn3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL7147 | 202605 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 250 | 1 | 2 | 2 | 3.0 | c1ccc2c(c1)CCCc1nc(-c3c[nH]cn3)[nH]c1-2 | 10.1016/s0960-894x(02)00090-2 | ||
| 44313495 | 203095 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL75163 | 203095 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 | 10.1016/s0960-894x(01)00449-8 | ||
| 70695121 | 76548 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070162 | 76548 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 393 | 5 | 1 | 5 | 3.6 | CCCS(=O)(=O)c1ccc2[nH]c(-c3cn(-c4ccccc4)ccc3=O)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 44580746 | 187466 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 2 | 1 | 5 | 2.9 | CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL497785 | 187466 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 390 | 2 | 1 | 5 | 2.9 | CN(C)C(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 10714258 | 118760 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 | 10.1021/jm000269t | ||
| CHEMBL343766 | 118760 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 370 | 2 | 1 | 3 | 4.7 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 | 10.1021/jm000269t | ||
| 2821670 | 167880 | 2 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL435036 | 167880 | 2 | None | - | 1 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1016/j.bmcl.2009.02.035 | ||
| 44573533 | 186870 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 3.8 | OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL493998 | 186870 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 364 | 4 | 2 | 3 | 3.8 | OCc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 10833804 | 118624 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 346 | 2 | 1 | 3 | 4.6 | FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL342818 | 118624 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 346 | 2 | 1 | 3 | 4.6 | FC(F)(F)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44460907 | 103874 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 427 | 6 | 2 | 4 | 5.3 | O=C(CC1CC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL310119 | 103874 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 427 | 6 | 2 | 4 | 5.3 | O=C(CC1CC1)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461208 | 104253 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 442 | 7 | 2 | 5 | 4.1 | O=C(CNCC1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL310674 | 104253 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 442 | 7 | 2 | 5 | 4.1 | O=C(CNCC1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460957 | 203587 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79308 | 203587 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 458 | 8 | 2 | 5 | 4.9 | CCCN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461198 | 203625 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 5.7 | CCCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79659 | 203625 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 5.7 | CCCCC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461210 | 203626 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 3.9 | O=C(CNCC1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL79663 | 203626 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 7 | 2 | 6 | 3.9 | O=C(CNCC1CCCO1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460963 | 203832 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 4.4 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81104 | 203832 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 438 | 5 | 1 | 5 | 4.4 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccccc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44461179 | 203934 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81982 | 203934 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.9 | O=C(N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1)C1CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10295464 | 203978 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82374 | 203978 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 9827743 | 165821 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 3.9 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42762 | 165821 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 511 | 6 | 3 | 7 | 3.9 | O=C(CN1CCC(n2c(O)nc3ccccc32)CC1)NC1CCc2cc(O)ccc2C1Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 9955865 | 123148 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL362131 | 123148 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 459 | 10 | 2 | 7 | 3.8 | COc1ccc(C)cc1S(=O)(=O)NCCCNc1nc(C(=O)c2ccccc2C)cs1 | 10.1016/j.bmcl.2005.05.009 | ||
| 45481810 | 196848 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL578013 | 196848 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 436 | 2 | 1 | 4 | 3.6 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc4ccccc4n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44583507 | 187478 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL497839 | 187478 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3ccc(-c4ccccc4)nn3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 44271231 | 60092 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17513 | 60092 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| 10294504 | 186618 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL492388 | 186618 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 402 | 3 | 1 | 2 | 5.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(C(F)(F)F)c3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 22934136 | 166544 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL429006 | 166544 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 291 | 2 | 1 | 3 | 3.6 | COc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 70684601 | 76527 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070141 | 76527 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 5 | 1 | 3 | 5.1 | CCCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 22934142 | 202613 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL7149 | 202613 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3ccncc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 22934118 | 202949 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL7370 | 202949 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 279 | 1 | 1 | 2 | 3.8 | Fc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
| 9885994 | 203378 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77639 | 203378 | 0 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 22325336 | 188361 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL508271 | 188361 | 1 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 353 | 1 | 1 | 4 | 3.9 | O=C1OC2(CCN(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44580100 | 186330 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL490008 | 186330 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 371 | 1 | 1 | 4 | 4.0 | O=C1OC2(CCN(c3nc4cc(Cl)c(F)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 71454969 | 80912 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 2.9 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCNC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| CHEMBL2159157 | 80912 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 384 | 5 | 2 | 5 | 2.9 | CCCS(=O)(=O)c1ccc2[nH]c(N3CCNC(c4ccccc4)C3)nc2c1 | 10.1016/j.bmcl.2012.09.025 | ||
| 9825755 | 201791 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.8 | O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL66168 | 201791 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 465 | 5 | 2 | 4 | 3.8 | O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | ||
| 10459583 | 12777 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL1188975 | 12777 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL537858 | 12777 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 491 | 6 | 1 | 5 | 5.7 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm049599u | ||
| 10571295 | 118634 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.6 | CC(=O)N1CCN(c2[nH]c(C)nc3cc(-c4ccccc4)nc2-3)CC1 | 10.1021/jm000269t | ||
| CHEMBL342918 | 118634 | 0 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 335 | 2 | 1 | 4 | 2.6 | CC(=O)N1CCN(c2[nH]c(C)nc3cc(-c4ccccc4)nc2-3)CC1 | 10.1021/jm000269t | ||
| 71519333 | 85737 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.1 | CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312081 | 85737 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 402 | 5 | 1 | 3 | 5.1 | CCS(=O)(=O)c1ccc2[nH]c(C3(c4ccc(-c5ccccc5)cc4)CC3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 70697152 | 76531 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070145 | 76531 | 0 | None | - | 0 | Mouse | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 375 | 5 | 1 | 2 | 5.7 | CCCS(=O)(=O)c1ccc2cc(-c3cccc(-c4ccccc4)c3)[nH]c2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 44461116 | 106639 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL316153 | 106639 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 399 | 4 | 1 | 5 | 4.4 | Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 | 10.1016/j.bmcl.2004.03.014 | ||
| 44264067 | 202332 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 262 | 1 | 1 | 2 | 3.7 | c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL6985 | 202332 | 1 | None | - | 0 | Human | 5.2 | pIC50 | = | 5.2 | Binding | ChEMBL | 262 | 1 | 1 | 2 | 3.7 | c1ccc(-c2nc3c([nH]2)CCOc2ccccc2-3)cc1 | 10.1016/s0960-894x(02)00090-2 | ||
| 44313510 | 103315 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL309055 | 103315 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 359 | 3 | 1 | 3 | 4.8 | Cc1cccc(NC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)n2)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44312968 | 203162 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 5 | 2 | 5 | 5.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL75827 | 203162 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 472 | 5 | 2 | 5 | 5.3 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 9998721 | 64029 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL181304 | 64029 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 362 | 4 | 1 | 4 | 5.4 | Cc1ccccc1C(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 44573408 | 192046 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL521844 | 192046 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 368 | 3 | 1 | 2 | 4.9 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 23442539 | 123553 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL363279 | 123553 | 0 | None | - | 0 | Mouse | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cccc(F)c2)n1 | 10.1016/j.bmcl.2005.05.009 | ||
| 10589936 | 27799 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 3.2 | CCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| CHEMBL137258 | 27799 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 258 | 3 | 1 | 3 | 3.2 | CCCc1cc2[nH]c(C)nc(N3CCCCC3)c-2n1 | 10.1021/jm000269t | ||
| 44377731 | 57126 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 4.1 | COc1ccc2c(c1)CC(NC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL165506 | 57126 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 507 | 8 | 2 | 5 | 4.1 | COc1ccc2c(c1)CC(NC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44379411 | 119948 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 3.3 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CC2 | 10.1016/s0960-894x(02)00018-5 | ||
| CHEMBL354111 | 119948 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 523 | 10 | 3 | 6 | 3.3 | COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CC2 | 10.1016/s0960-894x(02)00018-5 | ||
| 10808680 | 27854 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 326 | 2 | 1 | 3 | 4.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL137290 | 27854 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 326 | 2 | 1 | 3 | 4.6 | Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3Cl)cc2n1 | 10.1021/jm000269t | ||
| 44312956 | 102679 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 5.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL308110 | 102679 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 488 | 6 | 2 | 6 | 5.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 10645176 | 27625 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 372 | 4 | 1 | 4 | 5.2 | Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL137125 | 27625 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 372 | 4 | 1 | 4 | 5.2 | Cc1nc(N2CCCCC2)c2nc(CSc3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 44313486 | 203054 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 471 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL74777 | 203054 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 471 | 3 | 1 | 3 | 5.1 | Cc1cc(C(=O)Nc2cccc(I)c2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44377440 | 57135 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 4.4 | COc1cc2c(cc1OC)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL165556 | 57135 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 551 | 10 | 2 | 6 | 4.4 | COc1cc2c(cc1OC)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44377661 | 119399 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.3 | CCOC(=O)COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL349386 | 119399 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 593 | 12 | 2 | 7 | 4.3 | CCOC(=O)COc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44287971 | 162878 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL41981 | 162878 | 0 | None | - | 0 | Human | 4.2 | pIC50 | = | 4.2 | Binding | ChEMBL | 487 | 12 | 6 | 4 | 2.4 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@H](CO)c1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| 9969726 | 203866 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81442 | 203866 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 9799669 | 204086 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL83255 | 204086 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 373 | 3 | 1 | 4 | 4.1 | CC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10324940 | 13715 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | ||
| CHEMBL1195875 | 13715 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | ||
| CHEMBL555513 | 13715 | 0 | None | - | 0 | Rat | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 501 | 4 | 1 | 5 | 5.1 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)C(=O)c1ccccc1-2 | 10.1021/jm049599u | ||
| 10969955 | 110086 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL325475 | 110086 | 0 | None | - | 0 | Rat | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 1639804 | 13246 | 10 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL119247 | 13246 | 10 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| 44460467 | 163994 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL421521 | 163994 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 413 | 6 | 1 | 5 | 4.9 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(C)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44460946 | 203824 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 5.1 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81024 | 203824 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 472 | 5 | 1 | 5 | 5.1 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(Cl)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10295464 | 203978 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82374 | 203978 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 417 | 6 | 1 | 5 | 4.7 | CCCCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 23283663 | 102929 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 9 | 3 | 5 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(O)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | ||
| CHEMBL3084864 | 102929 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 537 | 9 | 3 | 5 | 4.9 | O=S(=O)(NC[C@H]1CC[C@H](CNC2CCc3cc(O)ccc3C2Cc2cccnc2)CC1)c1ccccc1F | 10.1021/jm990468g | ||
| 45481640 | 196223 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL572909 | 196223 | 0 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 420 | 2 | 1 | 4 | 3.1 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccc(Cl)cn3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 71519003 | 85726 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312070 | 85726 | 0 | None | - | 0 | Mouse | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 386 | 5 | 1 | 5 | 4.0 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 9880835 | 187061 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL495034 | 187061 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 335 | 3 | 1 | 3 | 3.7 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccnc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 22934127 | 161237 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1cncc(-c2nc3c([nH]2)-c2ccccc2CCC3)c1 | 10.1016/s0960-894x(02)00090-2 | ||
| CHEMBL414205 | 161237 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 261 | 1 | 1 | 2 | 3.6 | c1cncc(-c2nc3c([nH]2)-c2ccccc2CCC3)c1 | 10.1016/s0960-894x(02)00090-2 | ||
| 44573575 | 186612 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL492371 | 186612 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 45487535 | 195552 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| CHEMBL568337 | 195552 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 418 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ncc(-c4ccc(F)cc4)cn3)CC2)c2cccnc21 | 10.1016/j.bmcl.2009.07.103 | ||
| 44573575 | 186612 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492371 | 186612 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3ccnc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 70693070 | 76545 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 407 | 3 | 1 | 5 | 4.0 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| CHEMBL2070159 | 76545 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 407 | 3 | 1 | 5 | 4.0 | CC(C)(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(=O)n(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.07.020 | ||
| 10096226 | 63151 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | ||
| CHEMBL179972 | 63151 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 6 | 1 | 5 | 4.5 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(C(=O)c2ccccc2)cc1 | 10.1021/jm049599u | ||
| 21956072 | 192508 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 2 | 1 | 5 | 4.1 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL522768 | 192508 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 2 | 1 | 5 | 4.1 | COC(=O)c1ccc2[nH]c([C@H]3CC[C@@]4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.021 | ||
| 10051692 | 44322 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 3 | 5 | 3.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL152016 | 44322 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 499 | 6 | 3 | 5 | 3.1 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Br)cc2)CC1)c1cccs1 | 10.1016/j.bmcl.2003.11.070 | ||
| 10025916 | 62921 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | ||
| CHEMBL179154 | 62921 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 434 | 4 | 1 | 5 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3cc(F)ccc32)CC1)Nc1ccc2ncccc2c1 | 10.1021/jm049599u | ||
| 44583560 | 192033 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| CHEMBL521723 | 192033 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 405 | 2 | 1 | 5 | 4.5 | O=C1OC2(CCN(C(=O)Nc3nc(-c4ccccc4)cs3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.05.013 | ||
| 10971233 | 203314 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 5.5 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(S)=N/c1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77010 | 203314 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 392 | 6 | 2 | 3 | 5.5 | C[C@H]([C@@H](O)c1ccccc1)N(C)/C(S)=N/c1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 10958843 | 110717 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL326491 | 110717 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(C(=O)NCCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44312687 | 202934 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 2 | 7 | 3.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4c[n+](C(F)(F)F)ccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL73619 | 202934 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 491 | 6 | 2 | 7 | 3.1 | COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4c[n+](C(F)(F)F)ccn4)n3)cc2)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44460506 | 104918 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.0 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL311824 | 104918 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 458 | 5 | 1 | 6 | 4.0 | O=C(CN1CCCCC1)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 11079077 | 203234 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 6.3 | CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL76422 | 203234 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 366 | 6 | 1 | 2 | 6.3 | CC(CC1CCCCC1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 11089837 | 10902 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL117469 | 10902 | 0 | None | - | 0 | Human | 6.2 | pIC50 | = | 6.2 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.9 | Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 44377461 | 55275 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 4.7 | Cc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL162094 | 55275 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 505 | 8 | 2 | 4 | 4.7 | Cc1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 10637486 | 27359 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 2.3 | Cc1nc(N2CCNCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL136940 | 27359 | 1 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 293 | 2 | 2 | 4 | 2.3 | Cc1nc(N2CCNCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10667042 | 25795 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 2 | 4 | 3.7 | Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL135485 | 25795 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 336 | 4 | 2 | 4 | 3.7 | Cc1nc(N2CCCCC2CCO)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10641357 | 28246 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 310 | 7 | 2 | 4 | 3.7 | CCOCCCNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| CHEMBL137557 | 28246 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 310 | 7 | 2 | 4 | 3.7 | CCOCCCNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| 10642052 | 114615 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CCC1CCCCN1c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| CHEMBL334373 | 114615 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CCC1CCCCN1c1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| 44580547 | 192841 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL526641 | 192841 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1cccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc12 | 10.1016/j.bmcl.2008.08.018 | ||
| 12018680 | 164120 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL421695 | 164120 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 419 | 5 | 3 | 6 | 3.8 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc(N)cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44377689 | 57761 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL167318 | 57761 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 521 | 9 | 2 | 5 | 4.4 | COc1ccc2c(c1)CC(NCCN1CCC(CNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 44344244 | 102928 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 4.7 | C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| CHEMBL3084863 | 102928 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 484 | 8 | 2 | 3 | 4.7 | C=CCC1c2ccc(F)cc2CCC1NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1021/jm990468g | ||
| 9871512 | 165829 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.2 | COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(O)nc4ccccc43)CC1)C2Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| CHEMBL42768 | 165829 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 7 | 2 | 7 | 4.2 | COc1ccc2c(c1)CCC(NC(=O)CN1CCC(n3c(O)nc4ccccc43)CC1)C2Cc1cccnc1 | 10.1016/s0960-894x(00)00311-5 | ||
| 11795098 | 115901 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 2 | 4 | 4.9 | O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1 | 10.1021/jm000269t | ||
| CHEMBL336029 | 115901 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 397 | 4 | 2 | 4 | 4.9 | O=C(Nc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1)c1ccccc1 | 10.1021/jm000269t | ||
| 10549405 | 30229 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 3 | 1 | 5 | 2.0 | Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL139270 | 30229 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 371 | 3 | 1 | 5 | 2.0 | Cc1nc(N2CCN(S(C)(=O)=O)CC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10948789 | 103091 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.6 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL308623 | 103091 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 375 | 7 | 1 | 3 | 4.6 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 44288112 | 99732 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL288355 | 99732 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
| 44313496 | 203096 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL75193 | 203096 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 345 | 3 | 1 | 3 | 4.7 | Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1ccccc1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44313228 | 202899 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 4 | 1 | 4 | 5.2 | Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL73351 | 202899 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 410 | 4 | 1 | 4 | 5.2 | Cc1cc(C(=O)Nc2ccccc2-n2cccc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 44401578 | 12837 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL1189371 | 12837 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL538569 | 12837 | 0 | None | - | 0 | Rat | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 512 | 6 | 1 | 6 | 5.4 | CCn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5cccc(OC)c54)CC3)ccc21 | 10.1021/jm049599u | ||
| 10926986 | 12505 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.4 | CC(C)c1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| CHEMBL118710 | 12505 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 379 | 3 | 1 | 3 | 5.4 | CC(C)c1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
| 44287938 | 99931 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL290175 | 99931 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 631 | 13 | 4 | 4 | 5.4 | N/C(=N/CCCC(NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCCc2cc(O)ccc2C1)NCCCc1ccccc1 | 10.1016/s0960-894x(00)00292-4 | ||
| 10893873 | 13490 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.7 | CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL119426 | 13490 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 365 | 2 | 1 | 3 | 4.7 | CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
| 44460815 | 203531 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 416 | 4 | 2 | 5 | 3.0 | CC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL78901 | 203531 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 416 | 4 | 2 | 5 | 3.0 | CC(=O)NC1CCN(CC(=O)Nc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 44401552 | 165342 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL425012 | 165342 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 572 | 8 | 2 | 6 | 5.5 | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
| 10500401 | 27596 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 9 | 2 | 3 | 5.9 | CCCCCC(CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| CHEMBL137102 | 27596 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 350 | 9 | 2 | 3 | 5.9 | CCCCCC(CC)CNc1[nH]c(C)nc2cc(-c3ccccc3)nc1-2 | 10.1021/jm000269t | ||
| 10737530 | 118903 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL344820 | 118903 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 328 | 2 | 1 | 3 | 4.2 | Cc1nc(N2CCCCC2)c2[nH]c(-c3cc(F)ccc3F)cc2n1 | 10.1021/jm000269t | ||
| 12018679 | 202888 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| CHEMBL73251 | 202888 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 449 | 6 | 2 | 7 | 4.1 | Cc1ccc(-n2nc(-c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2N)cc1 | 10.1016/s0960-894x(01)00448-6 | ||
| 44377460 | 52440 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 536 | 9 | 2 | 6 | 4.3 | O=[N+]([O-])c1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL159450 | 52440 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 536 | 9 | 2 | 6 | 4.3 | O=[N+]([O-])c1ccc2c(c1)CC(NCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 11015360 | 11172 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 6 | 1 | 5 | 3.4 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| CHEMBL117922 | 11172 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 6 | 1 | 5 | 3.4 | CN(C)S(=O)(=O)n1c2ccccc2c2cc(NC(=O)CCc3ccncc3)ccc21 | 10.1021/jm011125x | ||
| 44579845 | 192511 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL522788 | 192511 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 386 | 1 | 1 | 3 | 5.6 | O=C1O[C@]2(CC[C@H](c3nc4cc(Cl)c(Cl)cc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 10347241 | 13804 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | ||
| CHEMBL1196486 | 13804 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | ||
| CHEMBL557172 | 13804 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 503 | 4 | 2 | 5 | 5.0 | O=C(CN1CCC(N2C(=O)OCc3cc(Cl)ccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | ||
| 10971892 | 102685 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 7 | 1 | 2 | 6.9 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1 | 10.1021/jm0004547 | ||
| CHEMBL308130 | 102685 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 422 | 7 | 1 | 2 | 6.9 | CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)C(Cc1ccccc1)c1ccccc1 | 10.1021/jm0004547 | ||
| 44573697 | 186617 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 3 | 2 | 3 | 2.9 | O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL492377 | 186617 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 351 | 3 | 2 | 3 | 2.9 | O=c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)[nH]1 | 10.1016/j.bmcl.2009.01.101 | ||
| 9952193 | 100107 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm980521l | ||
| CHEMBL291666 | 100107 | 0 | None | - | 1 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm980521l | ||
| 10689108 | 25521 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 312 | 3 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(CC3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL135261 | 25521 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 312 | 3 | 1 | 3 | 4.3 | Cc1nc(N2CCCCC2)c2nc(CC3CCCCC3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 9947073 | 192474 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.1 | O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL522539 | 192474 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 362 | 4 | 1 | 3 | 4.1 | O=Cc1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 9983662 | 13828 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | ||
| CHEMBL1196677 | 13828 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | ||
| CHEMBL557802 | 13828 | 0 | None | - | 0 | Rat | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 469 | 4 | 2 | 5 | 4.3 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc2c(c1)-c1ccccc1C2O | 10.1021/jm049599u | ||
| 45481802 | 196721 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 3 | 1 | 6 | 3.7 | COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL576941 | 196721 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 472 | 3 | 1 | 6 | 3.7 | COc1cccc2sc(NC(=O)N3CCC4(CC3)CN(S(C)(=O)=O)c3ccccc34)nc12 | 10.1016/j.bmc.2009.05.064 | ||
| 9908720 | 202920 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3cnccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL73534 | 202920 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 396 | 3 | 1 | 4 | 5.0 | Cc1cc(C(=O)Nc2cccc3cnccc23)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 71518853 | 85720 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312064 | 85720 | 0 | None | - | 0 | Mouse | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 350 | 5 | 1 | 4 | 3.6 | CCS(=O)(=O)c1ccc2[nH]c(OCc3cccc(Cl)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 44313572 | 203204 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 4.6 | Cc1cc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| CHEMBL76218 | 203204 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 363 | 3 | 1 | 3 | 4.6 | Cc1cc(C(=O)Nc2ccc(F)cc2)nn1-c1cccc(C(F)(F)F)c1 | 10.1016/s0960-894x(01)00449-8 | ||
| 11099994 | 10020 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc21 | 10.1021/jm011125x | ||
| CHEMBL115690 | 10020 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 343 | 5 | 1 | 3 | 4.8 | CCn1c2ccccc2c2ccc(NC(=O)CCc3ccncc3)cc21 | 10.1021/jm011125x | ||
| 21129772 | 168846 | 3 | None | -309 | 9 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
| CHEMBL44246 | 168846 | 3 | None | -309 | 9 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
| 11056043 | 119532 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 311 | 4 | 2 | 2 | 3.9 | O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| CHEMBL350463 | 119532 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 311 | 4 | 2 | 2 | 3.9 | O=C(Cc1ccccc1)Nc1cc(-c2ccc(Cl)cc2)n[nH]1 | 10.1021/jm025513q | ||
| 44460921 | 203983 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 4.1 | CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL82408 | 203983 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 430 | 6 | 2 | 5 | 4.1 | CN(C)CC(=O)N[C@H]1CC[C@H](CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 10779945 | 168004 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 5.0 | Cc1nc(C2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL435825 | 168004 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 291 | 2 | 1 | 2 | 5.0 | Cc1nc(C2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 44580594 | 187509 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL498166 | 187509 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 387 | 1 | 1 | 4 | 4.2 | O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 10498514 | 118698 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CC(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL343330 | 118698 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 320 | 3 | 1 | 3 | 4.7 | CC(C)c1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 22325350 | 183734 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 2 | 1 | 6 | 2.6 | CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL484267 | 183734 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 397 | 2 | 1 | 6 | 2.6 | CS(=O)(=O)c1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
| 44377468 | 56191 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL163470 | 56191 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 525 | 8 | 2 | 4 | 5.0 | O=S(=O)(NCCN1CCC(CNC2CCCc3ccc(Cl)cc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00002-1 | ||
| 10734658 | 27382 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 286 | 2 | 1 | 3 | 4.0 | Cc1nc(-c2cccnc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| CHEMBL136959 | 27382 | 3 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 286 | 2 | 1 | 3 | 4.0 | Cc1nc(-c2cccnc2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
| 10789271 | 164293 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.8 | Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL421913 | 164293 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 404 | 4 | 1 | 5 | 3.8 | Cc1nc(N2CCCCC2)c2nc(CS(=O)(=O)c3ccc(Cl)cc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 44377854 | 119595 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 10 | 2 | 5 | 3.8 | COc1ccc2c(c1)CC(CNCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| CHEMBL351082 | 119595 | 0 | None | - | 0 | Human | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 507 | 10 | 2 | 5 | 3.8 | COc1ccc2c(c1)CC(CNCC1CN(CCNS(=O)(=O)c3cccc4ccccc34)C1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
| 10075283 | 12855 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | ||
| CHEMBL1189496 | 12855 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | ||
| CHEMBL538823 | 12855 | 0 | None | - | 0 | Rat | 7.1 | pIC50 | = | 7.1 | Binding | ChEMBL | 481 | 4 | 1 | 5 | 4.8 | Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2-3)CC1 | 10.1021/jm049599u | ||
| 12078329 | 29219 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2nc(Cc3ccc(F)cc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| CHEMBL138435 | 29219 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 324 | 3 | 1 | 3 | 3.9 | Cc1nc(N2CCCCC2)c2nc(Cc3ccc(F)cc3)cc-2[nH]1 | 10.1021/jm000269t | ||
| 44401449 | 70735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL195346 | 70735 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 544 | 6 | 2 | 6 | 5.0 | O=S(=O)(NC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F | 10.1016/j.bmcl.2005.03.052 | ||
| 11204090 | 63162 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL180003 | 63162 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 587 | 7 | 2 | 7 | 5.1 | CN(C)c1nc(N[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 44390118 | 123378 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 5.3 | O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| CHEMBL362795 | 123378 | 0 | None | - | 0 | Mouse | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 366 | 4 | 1 | 4 | 5.3 | O=C(c1cccc(F)c1)c1cnc(Nc2cccc(C(F)(F)F)c2)s1 | 10.1016/j.bmcl.2005.01.063 | ||
| 11342160 | 122407 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| CHEMBL360671 | 122407 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.03.052 | ||
| 11342160 | 122407 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| CHEMBL360671 | 122407 | 0 | None | - | 0 | Human | 5.1 | pIC50 | = | 5.1 | Binding | ChEMBL | 573 | 6 | 1 | 7 | 4.6 | CN(C)c1nc(NC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 | 10.1016/j.bmcl.2005.05.121 | ||
| 9934923 | 102155 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 3.5 | O=C(NC1=NC2CCc3cc(O)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL304353 | 102155 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 481 | 5 | 3 | 5 | 3.5 | O=C(NC1=NC2CCc3cc(O)ccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 | 10.1016/s0960-894x(99)00676-9 | ||
| 9847333 | 196463 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 3.4 | Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL574772 | 196463 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 465 | 3 | 1 | 5 | 3.4 | Cn1ccnc1-c1ccc(NC(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)cc1 | 10.1016/j.bmc.2009.05.064 | ||
| 11057893 | 203394 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 | 10.1021/jm0004547 | ||
| CHEMBL77769 | 203394 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 376 | 6 | 2 | 3 | 5.1 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1cccc(Oc2ccccc2)c1 | 10.1021/jm0004547 | ||
| 23442513 | 66650 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL186916 | 66650 | 0 | None | - | 0 | Mouse | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 517 | 9 | 2 | 6 | 5.1 | Cc1ccccc1C(=O)c1csc(NCCCNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 | 10.1016/j.bmcl.2005.05.009 | ||
| 44271231 | 60092 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| CHEMBL17513 | 60092 | 0 | None | - | 0 | Human | 8.1 | pIC50 | = | 8.1 | Binding | ChEMBL | 536 | 7 | 2 | 7 | 2.0 | NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(C(=O)Cn3c(=O)sc4ccc(Cl)cc43)CC2)cc1 | 10.1016/s0960-894x(02)00113-0 | ||
| 20587799 | 191072 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 347 | 1 | 1 | 4 | 3.8 | Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL519651 | 191072 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 347 | 1 | 1 | 4 | 3.8 | Cc1cc2nc(N3CCC4(CC3)OC(=O)c3ccccc34)[nH]c2cc1C | 10.1016/j.bmcl.2008.08.018 | ||
| 10223395 | 187129 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL495369 | 187129 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 3.7 | CS(=O)(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
| 44580222 | 183580 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 363 | 1 | 1 | 6 | 3.0 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL483040 | 183580 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 363 | 1 | 1 | 6 | 3.0 | O=C1OC2(CCN(c3nc4cc5c(cc4[nH]3)OCO5)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 71519164 | 85728 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312072 | 85728 | 0 | None | - | 0 | Mouse | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 378 | 5 | 1 | 4 | 4.8 | CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(-c4ccccc4)c3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 9983624 | 13813 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL1196584 | 13813 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| CHEMBL557540 | 13813 | 0 | None | - | 0 | Rat | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 468 | 4 | 1 | 5 | 4.9 | Cn1c2ccccc2c2cc(NC(=O)CN3CCC(N4C(=O)OCc5ccccc54)CC3)ccc21 | 10.1021/jm049599u | ||
| 44573615 | 186640 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| CHEMBL492567 | 186640 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmc.2009.05.064 | ||
| 44573615 | 186640 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| CHEMBL492567 | 186640 | 0 | None | - | 0 | Human | 8.0 | pIC50 | = | 8.0 | Binding | ChEMBL | 463 | 3 | 1 | 5 | 3.5 | CS(=O)(=O)N1CC2(CCN(C(=O)Nc3nccc(-c4ccccc4)n3)CC2)c2ccccc21 | 10.1016/j.bmcl.2009.02.035 | ||
| 9888989 | 202118 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 5.2 | COc1ccc2c(c1)CCC(NCCc1ccc(OC)c(OC)c1)C2Cc1ccccc1 | 10.1021/jm990468g | ||
| CHEMBL68467 | 202118 | 0 | None | - | 0 | Human | 6.1 | pIC50 | = | 6.1 | Binding | ChEMBL | 431 | 9 | 1 | 4 | 5.2 | COc1ccc2c(c1)CCC(NCCc1ccc(OC)c(OC)c1)C2Cc1ccccc1 | 10.1021/jm990468g | ||
| 22257112 | 102416 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 3.8 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| CHEMBL305987 | 102416 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 495 | 6 | 2 | 5 | 3.8 | COc1ccc2c(c1)CCC1N=C(NC(=O)[C@H]3CC[C@H](CNS(=O)(=O)c4ccccc4)CC3)CC21 | 10.1016/s0960-894x(99)00676-9 | ||
| 44580505 | 187216 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| CHEMBL495930 | 187216 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 319 | 1 | 1 | 4 | 3.7 | O=C1O[C@]2(CC[C@H](c3nc4cccnc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.018 | ||
| 44579794 | 186452 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 318 | 1 | 1 | 3 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| CHEMBL491020 | 186452 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 318 | 1 | 1 | 3 | 4.3 | O=C1O[C@]2(CC[C@H](c3nc4ccccc4[nH]3)CC2)c2ccccc21 | 10.1016/j.bmcl.2008.08.021 | ||
| 10758195 | 78095 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | ||
| CHEMBL2111927 | 78095 | 0 | None | - | 0 | Human | 6.0 | pIC50 | = | 6.0 | Binding | ChEMBL | 322 | 3 | 1 | 4 | 3.9 | COc1c(-c2ccccc2)[nH]c2c(N3CCCCC3)nc(C)nc12 | 10.1021/jm000269t | ||
| 44370202 | 119556 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 522 | 6 | 3 | 6 | 4.0 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| CHEMBL350684 | 119556 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 522 | 6 | 3 | 6 | 4.0 | O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cc2ccccc2s1 | 10.1016/j.bmcl.2003.11.070 | ||
| 9967784 | 188259 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| CHEMBL506812 | 188259 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 340 | 3 | 1 | 3 | 4.3 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccsc3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
| 9819988 | 28365 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 5.2 | c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| CHEMBL137669 | 28365 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 354 | 3 | 1 | 3 | 5.2 | c1ccc(-c2cc3nc(-c4ccccc4)[nH]c(N4CCCCC4)c-3n2)cc1 | 10.1021/jm000269t | ||
| 10970790 | 203347 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 5.2 | C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL77255 | 203347 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 374 | 6 | 1 | 3 | 5.2 | C[C@H](C(=O)c1ccccc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 11111618 | 203749 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 6 | 1 | 4 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| CHEMBL80465 | 203749 | 0 | None | - | 0 | Human | 5.0 | pIC50 | = | 5.0 | Binding | ChEMBL | 377 | 6 | 1 | 4 | 5.0 | C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Oc1ccc(Oc2ccccc2)cc1 | 10.1021/jm0004547 | ||
| 71519167 | 85732 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312076 | 85732 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 71519002 | 85725 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| CHEMBL2312069 | 85725 | 0 | None | - | 0 | Mouse | 7.0 | pIC50 | = | 7.0 | Binding | ChEMBL | 370 | 4 | 1 | 4 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(C(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
| 44461106 | 203853 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| CHEMBL81337 | 203853 | 0 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 437 | 4 | 1 | 5 | 4.8 | CC(C)C(=O)N1CCC(CNc2nc3c(s2)CCOc2cc(Cl)c(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
| 23442587 | 66826 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| CHEMBL187729 | 66826 | 0 | None | - | 0 | Mouse | 5.0 | pIC50 | = | 5 | Binding | ChEMBL | 433 | 9 | 2 | 6 | 3.6 | Cc1ccccc1C(=O)c1cnc(NCCCNS(=O)(=O)c2ccc(F)cc2)s1 | 10.1016/j.bmcl.2005.05.009 | ||
| 44302732 | 201039 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.9 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL61880 | 201039 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 363 | 6 | 1 | 3 | 4.9 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 56683704 | 65024 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL1829320 | 65024 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 57345521 | 72950 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013020 | 72950 | 0 | None | - | 1 | Human | 9.5 | pKi | = | 9.5 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL4284905 | 211692 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4284905 | 211692 | 0 | None | -1 | 4 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||||
| 10273848 | 154818 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 4 | 1 | 3 | 3.5 | CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL403414 | 154818 | 0 | None | - | 1 | Human | 9.4 | pKi | = | 9.4 | Binding | ChEMBL | 423 | 4 | 1 | 3 | 3.5 | CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 56841989 | 211662 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 211662 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 57345520 | 72942 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013012 | 72942 | 0 | None | - | 1 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 56841989 | 211662 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281479 | 211662 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 56666778 | 65027 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 459 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829323 | 65027 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 459 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL4277590 | 211615 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4286615 | 211706 | 0 | None | -63 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4277590 | 211615 | 0 | None | -1 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4286615 | 211706 | 0 | None | -63 | 4 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| 70685339 | 73121 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016732 | 73121 | 0 | None | - | 1 | Human | 9.2 | pKi | = | 9.2 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 10203845 | 155032 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 3.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL404461 | 155032 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 5 | 1 | 3 | 3.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 70681111 | 73087 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016682 | 73087 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 435 | 3 | 1 | 6 | 3.9 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 56683705 | 65026 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 2 | 5 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829322 | 65026 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 473 | 7 | 2 | 5 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 44139479 | 192090 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cccc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL521947 | 192090 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cccc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 56666779 | 65030 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL1829326 | 65030 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 22458813 | 198526 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 5 | 1 | 4 | 3.5 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL59680 | 198526 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 351 | 5 | 1 | 4 | 3.5 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCOCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 57404430 | 73129 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016740 | 73129 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 56666779 | 65030 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829326 | 65030 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 441 | 7 | 2 | 4 | 3.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 56666777 | 65025 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL1829321 | 65025 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 70687454 | 72940 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013010 | 72940 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 459 | 7 | 2 | 6 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)sc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 70683225 | 72952 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013022 | 72952 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cccc(Cl)c32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 70681101 | 72955 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013025 | 72955 | 0 | None | - | 1 | Human | 9.1 | pKi | = | 9.1 | Binding | ChEMBL | 427 | 7 | 2 | 4 | 2.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 57404430 | 73128 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016739 | 73128 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 429 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@]2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 56683704 | 65024 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829320 | 65024 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 457 | 7 | 2 | 5 | 2.1 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 44138706 | 186384 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2ccnc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL490561 | 186384 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2ccnc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 44139234 | 192555 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| CHEMBL523134 | 192555 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| 70685315 | 72951 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013021 | 72951 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 44139732 | 12574 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | ||
| CHEMBL1187514 | 12574 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | ||
| CHEMBL506163 | 12574 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 387 | 4 | 1 | 6 | 3.2 | COc1ccc([C@]2(c3ccc(F)cc3)N=C(c3cc(C#N)ccn3)N[C@H]2C)cn1 | 10.1021/jm900110t | ||
| 70693715 | 72946 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013016 | 72946 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CC(C)(C)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 10298415 | 166228 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL428423 | 166228 | 0 | None | - | 1 | Human | 9.0 | pKi | = | 9.0 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 9930778 | 54847 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | ||
| CHEMBL161724 | 54847 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | ||
| 9930778 | 54847 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL161724 | 54847 | 0 | None | 1 | 2 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1016/j.bmcl.2012.02.098 | ||
| 70685316 | 72954 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013024 | 72954 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 10159722 | 94629 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 3.1 | CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL255353 | 94629 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 429 | 4 | 1 | 3 | 3.1 | CN(C(=O)N[C@H]1CC[C@H](c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL4278700 | 211632 | 0 | None | -12 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| 42630820 | 186485 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL491288 | 186485 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL4278700 | 211632 | 0 | None | -12 | 4 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| 42630820 | 186485 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL491288 | 186485 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 54141274 | 66269 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1836102 | 66269 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL1852685 | 66269 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12 | 10.1016/j.bmcl.2011.06.124 | ||
| 44138709 | 186297 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL489726 | 186297 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 44138709 | 186297 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL489726 | 186297 | 0 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cccc(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 10041217 | 100550 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4ccc[nH]c-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL294560 | 100550 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4ccc[nH]c-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 70693714 | 72945 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 2.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013015 | 72945 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 429 | 7 | 2 | 4 | 2.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 70693717 | 72948 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013018 | 72948 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 391 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 10272799 | 154909 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 4.0 | CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL403918 | 154909 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 407 | 4 | 1 | 2 | 4.0 | CCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL4279973 | 211643 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10062681 | 110715 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL326483 | 110715 | 1 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL4279973 | 211643 | 0 | None | -10 | 4 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 11491176 | 198350 | 31 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL595573 | 198350 | 31 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | ||
| 44139478 | 186348 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL490123 | 186348 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 9930778 | 54847 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | ||
| CHEMBL161724 | 54847 | 0 | None | -1 | 2 | Rat | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 362 | 6 | 1 | 5 | 4.2 | CC(C)(C)OCCOc1ccc(-c2nc(-c3cccc(C#N)c3)c[nH]2)cn1 | 10.1021/jm025584p | ||
| 70691635 | 72949 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013019 | 72949 | 0 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 425 | 7 | 2 | 4 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 20647089 | 67464 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 12 | 2 | 6 | 3.0 | CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909727 | 67464 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 397 | 12 | 2 | 6 | 3.0 | CCN(CC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 56663345 | 65028 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 1.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829324 | 65028 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 491 | 7 | 2 | 6 | 1.9 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCS(=O)(=O)c3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 44138708 | 12507 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL1187117 | 12507 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL490903 | 12507 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 384 | 3 | 1 | 4 | 4.1 | C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 70693716 | 72947 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 8 | 2 | 4 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013017 | 72947 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 407 | 8 | 2 | 4 | 2.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CCN2CCc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 10293988 | 95187 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 3.6 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257940 | 95187 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 393 | 3 | 1 | 2 | 3.6 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 20647101 | 67648 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 11 | 2 | 7 | 4.1 | COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912082 | 67648 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 446 | 11 | 2 | 7 | 4.1 | COc1ccc(C)cc1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 44138579 | 12508 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| CHEMBL1187124 | 12508 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| CHEMBL491119 | 12508 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 350 | 3 | 1 | 4 | 3.4 | C[C@@H]1NC(c2cnccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| 10017062 | 201046 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.8 | CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL61934 | 201046 | 1 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.8 | CCn1c2ccccc2c2cc(-c3nc(C)c(C)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL4276961 | 211610 | 0 | None | -1000 | 4 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O | 10.1021/acs.jmedchem.8b01046 | ||||
| 70689521 | 73124 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.8 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016735 | 73124 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.8 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)OCc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 76321859 | 105227 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 4.3 | CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126050 | 105227 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 428 | 5 | 1 | 3 | 4.3 | CCN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| 70693713 | 72941 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 409 | 7 | 2 | 6 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013011 | 72941 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 409 | 7 | 2 | 6 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2c(=O)oc3ccccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 10970274 | 119557 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 354 | 3 | 2 | 3 | 4.0 | O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1 | 10.1021/jm025513q | ||
| CHEMBL350690 | 119557 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 354 | 3 | 2 | 3 | 4.0 | O=C(Nc1cc(-c2ccncc2)[nH]n1)C1Cc2ccc3ccccc3c2C1 | 10.1021/jm025513q | ||
| 21336489 | 79071 | 0 | None | 1737 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 3.7 | Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL2113711 | 79071 | 0 | None | 1737 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 441 | 8 | 3 | 4 | 3.7 | Nc1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 21336507 | 189090 | 0 | None | 1288 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL51542 | 189090 | 0 | None | 1288 | 2 | Human | 8.0 | pKi | = | 8 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL4285633 | 211699 | 0 | None | -39 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287469 | 211712 | 0 | None | -1 | 3 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C)CC(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4288294 | 211720 | 0 | None | -15 | 4 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4277697 | 211618 | 0 | None | -25 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281120 | 211656 | 0 | None | -3 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290488 | 211738 | 0 | None | -1 | 4 | Human | 6.0 | pKi | = | 6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 164626032 | 185942 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 976 | 33 | 19 | 13 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | ||
| CHEMBL4877802 | 185942 | 0 | None | -1000 | 2 | Human | 5.0 | pKi | = | 5 | Binding | ChEMBL | 976 | 33 | 19 | 13 | -3.4 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)NC(=O)NCCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.1c01574 | ||
| 10020909 | 101369 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 352 | 3 | 1 | 3 | 5.6 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL300543 | 101369 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7 | Binding | ChEMBL | 352 | 3 | 1 | 3 | 5.6 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccn4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 44294762 | 101043 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 3 | 5 | 4.7 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL298168 | 101043 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 496 | 8 | 3 | 5 | 4.7 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| 20647087 | 67633 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 394 | 9 | 2 | 6 | 3.2 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912067 | 67633 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 394 | 9 | 2 | 6 | 3.2 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C(F)(F)F | 10.1016/j.bmcl.2011.08.072 | ||
| 22458796 | 100259 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL292729 | 100259 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 335 | 5 | 1 | 3 | 4.2 | CCn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 70687474 | 73132 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 5.1 | CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016743 | 73132 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 456 | 4 | 1 | 5 | 5.1 | CCN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| 136000676 | 62444 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784123 | 62444 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2c[nH]c(=O)c(F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 21336511 | 190543 | 0 | None | 323 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL51884 | 190543 | 0 | None | 323 | 2 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
| 57392816 | 67644 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 10 | 2 | 6 | 4.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912078 | 67644 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 408 | 10 | 2 | 6 | 4.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCCCC1 | 10.1016/j.bmcl.2011.08.072 | ||
| 56683706 | 65032 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 8 | 2 | 5 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829328 | 65032 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 431 | 8 | 2 | 5 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(F)c(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 57403258 | 67650 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 406 | 10 | 2 | 8 | 2.5 | Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912084 | 67650 | 0 | None | - | 1 | Human | 6.0 | pKi | = | 6.0 | Binding | ChEMBL | 406 | 10 | 2 | 8 | 2.5 | Cn1cnc(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)c1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL2110365 | 207459 | 4 | None | -426 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
| 44345744 | 113453 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL332598 | 113453 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3nccc4ccccc34)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL2440183 | 208719 | 0 | None | -4 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)[C@H]1C(=O)OC)[C@@H](C)O)[C@@H](C)CC | 10.1021/jm4008505 | ||||
| 46209585 | 67634 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912068 | 67634 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 10247746 | 102240 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 3.8 | CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL304896 | 102240 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 357 | 4 | 1 | 4 | 3.8 | CCn1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 46912327 | 105226 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 3 | 4.3 | CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126049 | 105226 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 3 | 4.3 | CN1CCCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| 10435289 | 170406 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 8 | 2 | 5 | 4.5 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL445613 | 170406 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 480 | 8 | 2 | 5 | 4.5 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3c(c2)OCCO3)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| 70689510 | 72958 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013028 | 72958 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 391 | 7 | 3 | 3 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2c[nH]c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 11078256 | 52018 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| CHEMBL158940 | 52018 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2cccc(Cl)c2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| 44294942 | 185935 | 0 | None | 58 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL48777 | 185935 | 0 | None | 58 | 2 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 446 | 11 | 2 | 3 | 5.6 | O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL4280392 | 211648 | 0 | None | -100 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 44350924 | 168411 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
| 91929378 | 168411 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
| CHEMBL439122 | 168411 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
| CHEMBL4280898 | 211652 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 211679 | 0 | None | -645 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4289416 | 211728 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4291705 | 211752 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10045322 | 62173 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1782077 | 62173 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2ccc(=O)n(C)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 10202875 | 94628 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL255352 | 94628 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2cccc(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL4280392 | 211648 | 0 | None | -100 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 20610118 | 154853 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL403622 | 154853 | 0 | None | - | 1 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 428 | 4 | 1 | 4 | 2.4 | CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 44350924 | 168411 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
| 91929378 | 168411 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
| CHEMBL439122 | 168411 | 0 | None | -234 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | 2220 | 73 | 32 | 30 | -7.4 | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC | 10.1021/acs.jmedchem.8b01046 | ||
| CHEMBL4280898 | 211652 | 0 | None | -2 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283257 | 211679 | 0 | None | -645 | 4 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4289416 | 211728 | 0 | None | -8 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4291705 | 211752 | 0 | None | -1 | 3 | Human | 5.9 | pKi | = | 5.9 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 2226619 | 201038 | 10 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 306 | 2 | 1 | 2 | 4.3 | CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL61879 | 201038 | 10 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 306 | 2 | 1 | 2 | 4.3 | CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 44345803 | 116784 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL339652 | 116784 | 1 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| 56673734 | 65035 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829331 | 65035 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 9886706 | 178056 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL467558 | 178056 | 0 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 390 | 1 | 1 | 4 | 5.3 | O=C1CC2(CCC2)CC(O)=C1C1C2=C(CC3(CCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 1202745 | 188405 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL508770 | 188405 | 2 | None | - | 1 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 9806472 | 161430 | 0 | None | 257 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL415926 | 161430 | 0 | None | 257 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00287-1 | ||
| 21336493 | 188608 | 0 | None | 1698 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL51138 | 188608 | 0 | None | 1698 | 2 | Human | 7.9 | pKi | = | 7.9 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccc3ccccc3n2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 127031281 | 138663 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL3785569 | 138663 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL3787712 | 138663 | 0 | None | -104 | 4 | Human | 6.9 | pKi | = | 6.9 | Binding | ChEMBL | 1789 | 59 | 29 | 21 | -2.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN/C(N)=N/C(=O)NCCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 12250898 | 110040 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL325171 | 110040 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 44138575 | 186443 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 3 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 | 10.1021/jm900110t | ||
| CHEMBL490901 | 186443 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 373 | 3 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(=O)[nH]c1 | 10.1021/jm900110t | ||
| 44345940 | 15392 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 3.2 | COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL122120 | 15392 | 1 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 281 | 4 | 1 | 4 | 3.2 | COc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1OC | 10.1016/s0960-894x(03)00747-9 | ||
| 9858246 | 100595 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.9 | CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL294842 | 100595 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.9 | CC(C)n1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 10450609 | 101798 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 6.2 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL303325 | 101798 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 351 | 3 | 1 | 2 | 6.2 | CCn1c2ccccc2c2cc(-c3nc(C)c(-c4ccccc4)[nH]3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 10245014 | 162231 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc[nH]cc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL417225 | 162231 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 312 | 2 | 1 | 3 | 4.7 | CCn1c2ccccc2c2cc(-c3nc4cc[nH]cc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL4279794 | 211641 | 0 | None | -63 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287140 | 211710 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 20647122 | 67631 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 10 | 2 | 6 | 2.7 | CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912065 | 67631 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 354 | 10 | 2 | 6 | 2.7 | CCS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 57399737 | 67641 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 9 | 2 | 7 | 3.0 | Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912075 | 67641 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 374 | 9 | 2 | 7 | 3.0 | Cc1nc(C)c(-c2csc(NCCCCCNS(C)(=O)=O)n2)s1 | 10.1016/j.bmcl.2011.08.072 | ||
| 155524657 | 170412 | 0 | None | -2754 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4456247 | 170412 | 0 | None | -2754 | 4 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCCC[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 44294740 | 101066 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 11 | 3 | 5 | 4.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL298342 | 101066 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 470 | 11 | 3 | 5 | 4.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| 12250900 | 110817 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL326736 | 110817 | 1 | None | - | 1 | Human | 5.8 | pKi | = | 5.8 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL4283846 | 211685 | 0 | None | -3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 57391020 | 67651 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 10 | 2 | 8 | 3.1 | Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912085 | 67651 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 434 | 10 | 2 | 8 | 3.1 | Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 10384590 | 198798 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 4 | 4.3 | CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL59866 | 198798 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 371 | 4 | 1 | 4 | 4.3 | CC(C)n1c(=O)c2ccc(NC(=O)Cc3ccncc3)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 10332613 | 113929 | 3 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL333310 | 113929 | 3 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL4279794 | 211641 | 0 | None | -63 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287140 | 211710 | 0 | None | -10 | 4 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 70695681 | 77937 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | ||
| CHEMBL2110162 | 77937 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 383 | 7 | 3 | 3 | 3.9 | O=C(O)CCc1cccc(CC(=O)Nc2cc(-c3ccc(Cl)cc3)n[nH]2)c1 | 10.1021/jm025513q | ||
| CHEMBL4283846 | 211685 | 0 | None | -3 | 4 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CO)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10160875 | 94939 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL256885 | 94939 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 446 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(F)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 20610116 | 97560 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 1.9 | CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL272964 | 97560 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 436 | 5 | 1 | 5 | 1.9 | CC(=O)c1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL2440192 | 208726 | 0 | None | -32 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](N)Cc1ccc(O)cc1 | 10.1021/jm4008505 | ||||
| 24950710 | 178227 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL469173 | 178227 | 0 | None | - | 1 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 418 | 1 | 1 | 4 | 6.1 | O=C1CC2(CCCC2)CC(O)=C1C1C2=C(CC3(CCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL4540843 | 212230 | 15 | None | -18 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | ||||
| 21336500 | 101191 | 0 | None | 190 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 10 | 3 | 4 | 4.8 | O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL299295 | 101191 | 0 | None | 190 | 2 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | 500 | 10 | 3 | 4 | 4.8 | O=S(=O)(NC[C@H]1CC[C@H](CNC(CO)Cc2ccc(Cl)cc2)CC1)c1cccc2ccccc12 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL4540843 | 212230 | 15 | None | -18 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)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](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | ||||
| 57394524 | 67467 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 10 | 2 | 7 | 1.9 | CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909730 | 67467 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 424 | 10 | 2 | 7 | 1.9 | CN1CCN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| 57392815 | 67636 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912070 | 67636 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 56663346 | 65031 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 413 | 8 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829327 | 65031 | 0 | None | - | 1 | Human | 6.8 | pKi | = | 6.8 | Binding | ChEMBL | 413 | 8 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 57399726 | 67456 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 10 | 2 | 7 | 2.8 | Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909719 | 67456 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 383 | 10 | 2 | 7 | 2.8 | Cc1nccnc1-c1csc(NCCCCCNS(=O)(=O)C(C)C)n1 | 10.1016/j.bmcl.2011.08.072 | ||
| 70685340 | 73127 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016738 | 73127 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 449 | 3 | 1 | 6 | 4.0 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| 20647107 | 67652 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 10 | 2 | 8 | 3.4 | Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912086 | 67652 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 421 | 10 | 2 | 8 | 3.4 | Cc1noc(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 44345818 | 13602 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL119507 | 13602 | 1 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1cccc(Cl)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| 56683702 | 65018 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829314 | 65018 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 481 | 7 | 2 | 5 | 3.3 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 56677038 | 65015 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 2.5 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829311 | 65015 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 453 | 6 | 2 | 5 | 2.5 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | ||
| 12260207 | 178135 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 1 | 1 | 4 | 4.2 | CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL468414 | 178135 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 338 | 1 | 1 | 4 | 4.2 | CC1CC(=O)C(C2C3=C(CC(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 11475091 | 177969 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL466946 | 177969 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(Cl)cc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 44295007 | 101264 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 633 | 12 | 3 | 5 | 4.9 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL299742 | 101264 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 633 | 12 | 3 | 5 | 4.9 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL4289021 | 211725 | 0 | None | -7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290615 | 211739 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282168 | 211671 | 0 | None | -630 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 57399727 | 67459 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 4.4 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909722 | 67459 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 4.4 | CC(C)S(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.08.072 | ||
| 46913706 | 105218 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 4.5 | O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126041 | 105218 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 413 | 4 | 1 | 3 | 4.5 | O=C1CCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 9946965 | 192460 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1021/jm900110t | ||
| CHEMBL522456 | 192460 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 360 | 3 | 1 | 4 | 3.5 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1021/jm900110t | ||
| 44139602 | 192662 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 3 | 1 | 6 | 2.9 | C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL523945 | 192662 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 357 | 3 | 1 | 6 | 2.9 | C[C@@H]1NC(c2cnsn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 70687457 | 72959 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013029 | 72959 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 2.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cc2cn(C)c3ccccc23)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 10112931 | 94594 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL255147 | 94594 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 1504 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 1518 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 1521 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 24868177 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 44288922 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 77068007 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 90479759 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| CHEMBL438945 | 2757 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 44139601 | 192636 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 1 | 5 | 2.8 | C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL523776 | 192636 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 351 | 3 | 1 | 5 | 2.8 | C[C@@H]1NC(c2cnccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 70687455 | 72953 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013023 | 72953 | 0 | None | - | 1 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | 409 | 7 | 2 | 4 | 2.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL429531 | 211779 | 12 | None | -27 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | ||||
| 70683239 | 73126 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 1 | 5 | 4.6 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016737 | 73126 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 448 | 3 | 1 | 5 | 4.6 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| 9887225 | 186555 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1021/jm900110t | ||
| CHEMBL491930 | 186555 | 3 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 400 | 2 | 1 | 5 | 3.8 | O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 | 10.1021/jm900110t | ||
| 10112931 | 94594 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL255147 | 94594 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 421 | 5 | 1 | 2 | 4.4 | CCCC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 44139599 | 186444 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 5 | 3.4 | COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 | 10.1021/jm900110t | ||
| CHEMBL490902 | 186444 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 4 | 1 | 5 | 3.4 | COc1ccnc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c1 | 10.1021/jm900110t | ||
| 44138581 | 186549 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.4 | C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL491894 | 186549 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 3.4 | C[C@@H]1NC(c2cccc(S(C)(=O)=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 10155282 | 197196 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 6 | 2 | 3 | 4.5 | CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL58424 | 197196 | 1 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 357 | 6 | 2 | 3 | 4.5 | CCn1c2ccccc2c2cc(NC(=O)CNCc3ccccc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 54580489 | 62361 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783923 | 62361 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c1=O | 10.1016/j.bmc.2009.05.069 | ||
| 44138577 | 192513 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 4.3 | CC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| CHEMBL522793 | 192513 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 388 | 4 | 1 | 4 | 4.3 | CC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| 10202456 | 94971 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 4 | 1 | 3 | 3.2 | CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257022 | 94971 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 422 | 4 | 1 | 3 | 3.2 | CC(C)C(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 10047509 | 62451 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784130 | 62451 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 416 | 4 | 1 | 5 | 3.6 | C[C@@H]1NC(c2ccc(=O)n(C(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 10046270 | 62452 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784131 | 62452 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 396 | 4 | 1 | 6 | 2.3 | COn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| 10275303 | 95120 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 2.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257707 | 95120 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 444 | 5 | 1 | 4 | 2.4 | CCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 11729353 | 51986 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.6 | COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC | 10.1021/jm025513q | ||
| CHEMBL158913 | 51986 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Binding | ChEMBL | 413 | 5 | 2 | 4 | 4.6 | COc1ccc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)cc1OC | 10.1021/jm025513q | ||
| 10363209 | 62448 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784127 | 62448 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL439904 | 212096 | 12 | None | -50 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
| 44577739 | 188792 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL512996 | 188792 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 422 | 5 | 1 | 4 | 6.6 | CCC1(CC)CC(=O)C(C2C3=C(CC(CC)(CC)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 10223183 | 155021 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL404398 | 155021 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL4289021 | 211725 | 0 | None | -7 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290615 | 211739 | 0 | None | -1 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 56659886 | 65016 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829312 | 65016 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 2.9 | CCS(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL4282168 | 211671 | 0 | None | -630 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 9922187 | 100502 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 4 | 1 | 3 | 3.3 | CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL294286 | 100502 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 295 | 4 | 1 | 3 | 3.3 | CCn1c2ccccc2c2cc(NC(=O)CN(C)C)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 44345949 | 14365 | 3 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120332 | 14365 | 3 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | ||
| 56677039 | 65021 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 1.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829317 | 65021 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 423 | 7 | 2 | 5 | 1.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 44345638 | 109650 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL323658 | 109650 | 1 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 56670210 | 65017 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 7 | 2 | 5 | 3.1 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829313 | 65017 | 0 | None | - | 1 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 479 | 7 | 2 | 5 | 3.1 | CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1 | 10.1016/j.bmcl.2011.06.078 | ||
| 85472343 | 171726 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4475071 | 171726 | 0 | None | -338 | 4 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 1705 | 55 | 30 | 22 | -4.0 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 23397122 | 200060 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL60667 | 200060 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2cc(NC(=O)CN(C)C)ccc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 24950555 | 178187 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL468847 | 178187 | 0 | None | - | 1 | Human | 5.7 | pKi | = | 5.7 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1cccc2c1OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 70685339 | 73122 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016733 | 73122 | 0 | None | - | 1 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | 434 | 3 | 1 | 5 | 4.5 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 127030359 | 138664 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL3787528 | 138664 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL3787713 | 138664 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4535525 | 138664 | 0 | None | -186 | 4 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1845 | 61 | 29 | 21 | -1.5 | CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 155561620 | 175067 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4581256 | 175067 | 0 | None | -18 | 3 | Human | 6.7 | pKi | = | 6.7 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 56659887 | 65020 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829316 | 65020 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 499 | 7 | 2 | 6 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)S(=O)(=O)c3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 44345719 | 113275 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 227 | 2 | 1 | 2 | 3.5 | c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL332381 | 113275 | 1 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 227 | 2 | 1 | 2 | 3.5 | c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| 21336486 | 100865 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 475 | 10 | 3 | 3 | 5.7 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL296906 | 100865 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 475 | 10 | 3 | 3 | 5.7 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| 70695858 | 73133 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 510 | 4 | 1 | 5 | 5.6 | O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016744 | 73133 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 510 | 4 | 1 | 5 | 5.6 | O=C1O[C@]2(CC[C@@H](N(CC(F)(F)F)C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)Cc2ccccc21 | 10.1016/j.bmcl.2012.02.098 | ||
| 44283143 | 161137 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | ||
| 91931648 | 161137 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | ||
| CHEMBL413455 | 161137 | 0 | None | -1023 | 4 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 2361 | 75 | 32 | 32 | -6.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/jm010031k | ||
| 24950871 | 177944 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| CHEMBL466756 | 177944 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 446 | 1 | 1 | 4 | 6.9 | O=C1CC2(CCCCC2)CC(O)=C1C1C2=C(CC3(CCCCC3)CC2=O)Oc2ccccc21 | 10.1021/jm8003587 | ||
| 57391019 | 67646 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 543 | 12 | 2 | 8 | 4.5 | O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912080 | 67646 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 543 | 12 | 2 | 8 | 4.5 | O=C(OCc1ccccc1)N1CCC(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL4294277 | 211772 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 9907999 | 164305 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164305 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL4294277 | 211772 | 0 | None | -10 | 4 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 57396288 | 67639 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 3.9 | O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912073 | 67639 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 408 | 11 | 2 | 6 | 3.9 | O=S(=O)(CC1CCCC1)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL4282216 | 211672 | 0 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282216 | 211672 | 0 | None | -39 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CN(C(=N)N)C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 21336503 | 190465 | 0 | None | 549 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL51874 | 190465 | 0 | None | 549 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 490 | 8 | 2 | 3 | 5.7 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2cccc3ccccc23)CC1)c1ccccc1C(F)(F)F | 10.1016/s0960-894x(02)00287-1 | ||
| 11130476 | 54632 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 303 | 3 | 2 | 2 | 3.4 | O=C(Nc1cc(-c2ccccc2)[nH]n1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| CHEMBL161398 | 54632 | 0 | None | - | 1 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 303 | 3 | 2 | 2 | 3.4 | O=C(Nc1cc(-c2ccccc2)[nH]n1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| 44345971 | 14310 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120117 | 14310 | 1 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | ||
| 56673731 | 65013 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 7 | 2 | 5 | 2.4 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829309 | 65013 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 482 | 7 | 2 | 5 | 2.4 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 10223847 | 155002 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 1.6 | CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL404304 | 155002 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 419 | 4 | 1 | 5 | 1.6 | CN(C(=O)NC1CCN(c2cccc(C#N)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 57398084 | 67645 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 409 | 10 | 3 | 7 | 2.5 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912079 | 67645 | 0 | None | - | 1 | Human | 5.6 | pKi | = | 5.6 | Binding | ChEMBL | 409 | 10 | 3 | 7 | 2.5 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CCNCC1 | 10.1016/j.bmcl.2011.08.072 | ||
| 54584448 | 62363 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783925 | 62363 | 0 | None | - | 1 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1ccc(=O)[nH]c1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | ||
| 21336495 | 101541 | 0 | None | 1737 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL301747 | 101541 | 0 | None | 1737 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | ChEMBL | 468 | 9 | 2 | 6 | 4.0 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 127029975 | 138673 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL3785576 | 138673 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL3787766 | 138673 | 0 | None | -56 | 4 | Human | 6.6 | pKi | = | 6.6 | Binding | ChEMBL | 1675 | 55 | 28 | 20 | -1.9 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 24950556 | 188871 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL513701 | 188871 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(F)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 57398069 | 67460 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 10 | 2 | 7 | 2.0 | CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909723 | 67460 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 370 | 10 | 2 | 7 | 2.0 | CC(C)S(=O)(=O)NCCOCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 76332712 | 105220 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126043 | 105220 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | ||
| 10178465 | 192578 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 2.9 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@H](CO)N2)c1 | 10.1021/jm900110t | ||
| CHEMBL523305 | 192578 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 390 | 4 | 2 | 5 | 2.9 | N#Cc1ccnc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)[C@H](CO)N2)c1 | 10.1021/jm900110t | ||
| 44139356 | 192083 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)nc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL521932 | 192083 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)nc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL4292105 | 211755 | 0 | None | -7 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4292105 | 211755 | 0 | None | -7 | 4 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 44139480 | 186550 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cncc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL491895 | 186550 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cncc(C#N)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 10181110 | 166507 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL428953 | 166507 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2cc(F)cc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 10139329 | 166855 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 2.8 | CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL429679 | 166855 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 5 | 1 | 4 | 2.8 | CC(C)S(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 57398085 | 67653 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 10 | 2 | 8 | 3.8 | Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912087 | 67653 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 437 | 10 | 2 | 8 | 3.8 | Cc1nc(C)c(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)s1 | 10.1016/j.bmcl.2011.08.072 | ||
| 22458823 | 101522 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.8 | CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL301638 | 101522 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 349 | 5 | 1 | 3 | 4.8 | CC(C)n1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 136088970 | 62445 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784124 | 62445 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2c[nH]c(=O)c(Cl)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 56677041 | 65029 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829325 | 65029 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 10161574 | 95121 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 6 | 1 | 4 | 2.8 | CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257708 | 95121 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 458 | 6 | 1 | 4 | 2.8 | CCCS(=O)(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 44345933 | 16109 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL122527 | 16109 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| 56666777 | 65025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829321 | 65025 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 443 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCOc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 70685314 | 72943 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 7 | 2 | 4 | 2.4 | Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013013 | 72943 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 407 | 7 | 2 | 4 | 2.4 | Cc1ccc2c(c1)CCN2CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 9907999 | 164305 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164305 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| 11742181 | 62450 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.8 | CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784129 | 62450 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.8 | CC(C)n1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| 21031286 | 186519 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2nccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL491567 | 186519 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 376 | 3 | 1 | 6 | 2.7 | C[C@@H]1NC(c2nccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 57396265 | 67457 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 10 | 2 | 6 | 3.8 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909720 | 67457 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 373 | 10 | 2 | 6 | 3.8 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 136000677 | 62446 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 3 | 2 | 4 | 3.7 | C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784125 | 62446 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 434 | 3 | 2 | 4 | 3.7 | C[C@@H]1NC(c2c[nH]c(=O)c(C(F)(F)F)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 56677041 | 65029 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL1829325 | 65029 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 455 | 7 | 2 | 4 | 2.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL4290048 | 211732 | 0 | None | -25 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 44345934 | 14373 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120377 | 14373 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| 44139354 | 186461 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| CHEMBL491107 | 186461 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 374 | 3 | 1 | 4 | 3.9 | C[C@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| 44345855 | 14469 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 3.0 | N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120538 | 14469 | 0 | None | - | 1 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | 246 | 2 | 1 | 3 | 3.0 | N#Cc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 70681118 | 73134 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 4.8 | O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016745 | 73134 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 427 | 4 | 1 | 5 | 4.8 | O=C(CC1CCC2(CC1)Cc1ccccc1C(=O)O2)Nc1cnc(-c2ccccc2)cn1 | 10.1016/j.bmcl.2012.02.098 | ||
| 20610104 | 94710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 1.7 | CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL255800 | 94710 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 394 | 4 | 1 | 4 | 1.7 | CN(C(=O)NC1CCN(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 20647123 | 67649 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 7 | 3.8 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912083 | 67649 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 408 | 10 | 2 | 7 | 3.8 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1cccs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL4290891 | 211746 | 0 | None | 5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10295943 | 97599 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 1.7 | COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL273180 | 97599 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 424 | 5 | 1 | 5 | 1.7 | COc1cccc(N2CCC(NC(=O)N(C)C3CCN(S(C)(=O)=O)CC3)CC2)c1 | 10.1016/j.bmcl.2007.11.132 | ||
| 20610111 | 157111 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL408153 | 157111 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 430 | 4 | 1 | 4 | 2.0 | CN(C(=O)NC1CCN(c2ccc(F)c(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL4293564 | 211766 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10005032 | 58895 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL17022 | 58895 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 472 | 8 | 2 | 3 | 5.9 | O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1 | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL4290891 | 211746 | 0 | None | 5 | 4 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 9806472 | 161430 | 0 | None | 257 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL415926 | 161430 | 0 | None | 257 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 476 | 8 | 2 | 3 | 5.3 | O=S(=O)(NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1)c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL4293564 | 211766 | 0 | None | -1 | 3 | Human | 5.5 | pKi | = | 5.5 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 1565 | 2168 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | ||
| 624746 | 2168 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | ||
| CHEMBL491762 | 2168 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm900110t | ||
| 1565 | 2168 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| 624746 | 2168 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| CHEMBL491762 | 2168 | 15 | None | 1 | 2 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10.1021/jm8003587 | ||
| 11002986 | 53538 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 363 | 5 | 2 | 4 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC | 10.1021/jm025513q | ||
| CHEMBL160443 | 53538 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 363 | 5 | 2 | 4 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1OC | 10.1021/jm025513q | ||
| 57398068 | 67458 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 10 | 2 | 7 | 3.8 | Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909721 | 67458 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 402 | 10 | 2 | 7 | 3.8 | Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1 | 10.1016/j.bmcl.2011.08.072 | ||
| 44345935 | 14381 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 3.4 | Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120431 | 14381 | 1 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 257 | 2 | 1 | 2 | 3.4 | Fc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1F | 10.1016/s0960-894x(03)00747-9 | ||
| 296732 | 110866 | 78 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL327027 | 110866 | 78 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 24950714 | 178112 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL468225 | 178112 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(F)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 24950712 | 188768 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL512787 | 188768 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Cl)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 7068786 | 181716 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL478417 | 181716 | 2 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 366 | 1 | 1 | 4 | 5.0 | CC1(C)CC(=O)C([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 10112368 | 155033 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL404462 | 155033 | 0 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2cccc(F)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 54586366 | 62366 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2cccc(=O)n2C)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783928 | 62366 | 0 | None | - | 1 | Human | 6.5 | pKi | = | 6.5 | Binding | ChEMBL | 380 | 3 | 1 | 5 | 2.7 | C[C@@H]1NC(c2cccc(=O)n2C)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 9803547 | 178054 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL467550 | 178054 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 444 | 1 | 1 | 4 | 5.8 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3cc(Br)ccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 24950557 | 178234 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL469256 | 178234 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 380 | 1 | 1 | 4 | 5.3 | Cc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 57396289 | 67643 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 9 | 2 | 6 | 5.1 | Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912077 | 67643 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 443 | 9 | 2 | 6 | 5.1 | Cc1c(-c2csc(NCCCCCNS(C)(=O)=O)n2)sc2ccc(Cl)cc12 | 10.1016/j.bmcl.2011.08.072 | ||
| 44345650 | 110125 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL325704 | 110125 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.2 | FC(F)(F)c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 56663347 | 65037 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 8 | 2 | 5 | 3.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829333 | 65037 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 445 | 8 | 2 | 5 | 3.7 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCSc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 57392790 | 67465 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 10 | 2 | 7 | 2.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909728 | 67465 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 411 | 10 | 2 | 7 | 2.0 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)N1CCOCC1 | 10.1016/j.bmcl.2011.08.072 | ||
| 10449735 | 162671 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.2 | CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL418459 | 162671 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 337 | 4 | 1 | 4 | 3.2 | CC(C)n1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 22288540 | 102138 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.2 | CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL304245 | 102138 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 320 | 2 | 1 | 2 | 4.2 | CCN1Cc2ccc(NC(=O)C(F)(F)F)cc2-c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL4280250 | 211646 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283705 | 211683 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 211737 | 0 | None | -630 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 44345853 | 14686 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120760 | 14686 | 1 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 289 | 2 | 1 | 2 | 4.4 | Clc1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL4290048 | 211732 | 0 | None | -25 | 4 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 76325491 | 105222 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.4 | CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126045 | 105222 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 457 | 4 | 1 | 4 | 5.4 | CC(C)(C)C1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | ||
| 70681100 | 72944 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 411 | 7 | 2 | 4 | 2.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013014 | 72944 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 411 | 7 | 2 | 4 | 2.2 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 44139603 | 186298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 3.5 | C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL489732 | 186298 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 356 | 3 | 1 | 5 | 3.5 | C[C@@H]1NC(c2nccs2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 136088969 | 62443 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784120 | 62443 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | ||
| 9923839 | 186447 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | ||
| CHEMBL490937 | 186447 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | ||
| 56677043 | 65038 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 3.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829334 | 65038 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 427 | 8 | 2 | 4 | 3.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCCc3cc(Cl)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 70695857 | 73131 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.7 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016742 | 73131 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 442 | 3 | 1 | 5 | 4.7 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1ccccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| 22458799 | 100509 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.4 | CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL294305 | 100509 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 329 | 4 | 1 | 3 | 4.4 | CCn1c2ccccc2c2cc(NC(=O)Cc3ccncc3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 10364093 | 62449 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 408 | 5 | 1 | 5 | 3.6 | CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784128 | 62449 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 408 | 5 | 1 | 5 | 3.6 | CCCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| 44345801 | 14502 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120586 | 14502 | 1 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 305 | 3 | 1 | 3 | 4.0 | FC(F)(F)Oc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| 44345737 | 113313 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL332561 | 113313 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 290 | 2 | 1 | 3 | 3.8 | Clc1ccc(-c2c[nH]c(-c3cnccn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| 44345961 | 113412 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL332582 | 113412 | 1 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 235 | 2 | 1 | 2 | 3.4 | Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL4280250 | 211646 | 0 | None | 1 | 3 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4283705 | 211683 | 0 | None | -3 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4290445 | 211737 | 0 | None | -630 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N(C)[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 155549336 | 173681 | 0 | None | -141 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4549208 | 173681 | 0 | None | -141 | 4 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@H](CCCC[C@@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 44453965 | 94634 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 1.1 | CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL255390 | 94634 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 395 | 4 | 1 | 5 | 1.1 | CN(C(=O)NC1CCN(c2cccnc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 10041884 | 162237 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL417236 | 162237 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 323 | 4 | 1 | 4 | 2.7 | CCn1c(=O)c2ccc(NC(=O)CN(C)C)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 76321860 | 105228 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 5 | 1 | 3 | 4.7 | CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126051 | 105228 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 442 | 5 | 1 | 3 | 4.7 | CC(C)N1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| 24950870 | 178235 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 2 | 1 | 4 | 5.6 | CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL469257 | 178235 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 394 | 2 | 1 | 4 | 5.6 | CCc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 44294983 | 101245 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 5 | 4.0 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL299579 | 101245 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 455 | 11 | 2 | 5 | 4.0 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1 | 10.1016/s0960-894x(02)00288-3 | ||
| 44294898 | 186278 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 7 | 2 | 3 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL48960 | 186278 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 490 | 7 | 2 | 3 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| 54580488 | 62360 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783922 | 62360 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2cc[nH]c(=O)c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 56673732 | 65014 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 2 | 5 | 1.6 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829310 | 65014 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 454 | 7 | 2 | 5 | 1.6 | CN(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)CCSc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 44295107 | 100797 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 15 | 3 | 5 | 4.7 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL296387 | 100797 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 607 | 15 | 3 | 5 | 4.7 | Cc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)NCCCCCCNS(=O)(=O)c2cccc3ccccc23)cc1 | 10.1016/s0960-894x(02)00288-3 | ||
| 10336953 | 100236 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.7 | CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL292560 | 100236 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 334 | 2 | 1 | 3 | 3.7 | CCn1c(=O)c2ccc(NC(=O)C(F)(F)F)cc2c2ccccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 57398083 | 67642 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 9 | 2 | 7 | 2.4 | CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912076 | 67642 | 0 | None | - | 1 | Human | 5.4 | pKi | = | 5.4 | Binding | ChEMBL | 346 | 9 | 2 | 7 | 2.4 | CS(=O)(=O)NCCCCCNc1nc(-c2nccs2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 57391018 | 67637 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 10 | 2 | 6 | 2.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912071 | 67637 | 0 | None | - | 1 | Human | 7.4 | pKi | = | 7.4 | Binding | ChEMBL | 366 | 10 | 2 | 6 | 2.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)C1CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| 11099807 | 50420 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| CHEMBL157588 | 50420 | 0 | None | - | 1 | Human | 6.4 | pKi | = | 6.4 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccccc2Cl)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| 22462213 | 187606 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 11 | 2 | 5 | 3.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL49906 | 187606 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 459 | 11 | 2 | 5 | 3.4 | O=C(NCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| 155547323 | 173044 | 0 | None | -41 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4533775 | 173044 | 0 | None | -41 | 3 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1590 | 51 | 25 | 19 | -1.2 | CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL413426 | 211308 | 0 | None | -97 | 4 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC | 10.1021/jm010031k | ||||
| 44345637 | 10358 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL116488 | 10358 | 1 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 339 | 2 | 1 | 2 | 5.6 | Clc1ccc(-c2c[nH]c(-c3cc4ccccc4cn3)n2)cc1Cl | 10.1016/s0960-894x(03)00747-9 | ||
| 10183204 | 97146 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL270890 | 97146 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 462 | 4 | 1 | 4 | 3.0 | CN(C(=O)NC1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 57398081 | 67638 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 11 | 2 | 6 | 3.5 | CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912072 | 67638 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 382 | 11 | 2 | 6 | 3.5 | CCC(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 20629114 | 73086 | 40 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016681 | 73086 | 40 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | ||
| 136000678 | 62447 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 396 | 4 | 2 | 5 | 2.7 | COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784126 | 62447 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 396 | 4 | 2 | 5 | 2.7 | COc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)c[nH]c1=O | 10.1016/j.bmc.2009.05.069 | ||
| 66677782 | 105216 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126039 | 105216 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ncc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 46913606 | 105223 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 2 | 3 | 3.5 | O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126046 | 105223 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 400 | 4 | 2 | 3 | 3.5 | O=C1NCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 46913409 | 105224 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 4 | 1 | 3 | 3.9 | CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126047 | 105224 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 414 | 4 | 1 | 3 | 3.9 | CN1CCN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O | 10.1016/j.bmcl.2014.02.023 | ||
| 44139600 | 186296 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL489725 | 186296 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 393 | 4 | 2 | 5 | 2.5 | C[C@@H]1NC(c2cc(C(N)=O)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 70689509 | 72956 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013026 | 72956 | 0 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 416 | 7 | 2 | 5 | 2.5 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(C#N)ccc32)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 44139481 | 192645 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| CHEMBL523821 | 192645 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cccc(C#N)n2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
| 10224063 | 95026 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 3.4 | CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257248 | 95026 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 422 | 5 | 1 | 3 | 3.4 | CCCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL4282616 | 211674 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4282616 | 211674 | 0 | None | 3 | 4 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CCC(N)=O)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10111188 | 94879 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL256592 | 94879 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 2317 | 67292 | 9 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | ||
| CHEMBL19060 | 67292 | 9 | None | -2 | 2 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 590 | 27 | 4 | 8 | 6.3 | COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC | 10.1016/j.bmcl.2011.06.124 | ||
| 57398070 | 67461 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 7 | 1 | 7 | 2.0 | CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909724 | 67461 | 0 | None | - | 1 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 395 | 7 | 1 | 7 | 2.0 | CC(C)S(=O)(=O)N1CCN(CCNc2nc(-c3ccccn3)cs2)CC1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL4276796 | 211608 | 0 | None | -63 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4278746 | 211633 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4276796 | 211608 | 0 | None | -63 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4278746 | 211633 | 0 | None | -3 | 3 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| 10820168 | 96399 | 0 | None | -147 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | ||
| CHEMBL265391 | 96399 | 0 | None | -147 | 4 | Human | 5.3 | pKi | = | 5.3 | Binding | ChEMBL | 1192 | 37 | 16 | 15 | -2.3 | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)CC | 10.1021/jm010031k | ||
| CHEMBL429005 | 211733 | 0 | None | -5 | 2 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
| 57403234 | 67455 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909718 | 67455 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 368 | 10 | 2 | 6 | 3.1 | CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 10111188 | 95186 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257939 | 95186 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 393 | 4 | 1 | 3 | 2.8 | CN(C(=O)N[C@H]1CC[C@H](c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 20610103 | 154658 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL402557 | 154658 | 0 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 408 | 4 | 1 | 4 | 2.0 | Cc1ccccc1N1CCC(NC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 12250899 | 14367 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL120336 | 14367 | 1 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 221 | 2 | 1 | 2 | 3.1 | c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 57394537 | 67635 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 9 | 2 | 6 | 2.3 | CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912069 | 67635 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 340 | 9 | 2 | 6 | 2.3 | CS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 155553742 | 174855 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1505 | 47 | 22 | 18 | -0.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4576579 | 174855 | 0 | None | - | 1 | Human | 6.3 | pKi | = | 6.3 | Binding | ChEMBL | 1505 | 47 | 22 | 18 | -0.4 | CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| 44345802 | 164462 | 3 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 251 | 3 | 1 | 3 | 3.1 | COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL422608 | 164462 | 3 | None | - | 1 | Human | 7.3 | pKi | = | 7.3 | Binding | ChEMBL | 251 | 3 | 1 | 3 | 3.1 | COc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| 10155286 | 154788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 357 | 3 | 1 | 2 | 3.4 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL403223 | 154788 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 357 | 3 | 1 | 2 | 3.4 | CC(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3ccccc3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 2821670 | 167880 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| CHEMBL435036 | 167880 | 2 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 337 | 3 | 2 | 2 | 4.1 | O=C(Nc1cc(-c2ccc(Cl)cc2)n[nH]1)C1Cc2ccccc2C1 | 10.1021/jm025513q | ||
| 2979261 | 181054 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 | 10.1021/jm8003587 | ||
| CHEMBL477578 | 181054 | 7 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)C(C1=C(O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2 | 10.1021/jm8003587 | ||
| 11640844 | 5924 | 0 | None | -199 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
| CHEMBL1080298 | 5924 | 0 | None | -199 | 2 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | 444 | 6 | 2 | 6 | 6.6 | c1ccc([C@@H]2CCSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1 | 10.1016/j.bmcl.2009.09.048 | ||
| 46913508 | 105217 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126040 | 105217 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 400 | 4 | 1 | 4 | 3.5 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2cnc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 10294889 | 95071 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 3 | 3.0 | CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL257457 | 95071 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 3 | 3.0 | CCC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 10341402 | 62453 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784132 | 62453 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | ||
| 54587390 | 62364 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783926 | 62364 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 384 | 3 | 2 | 4 | 2.9 | C[C@@H]1NC(c2ccc(F)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 56683703 | 65019 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829315 | 65019 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 467 | 7 | 2 | 5 | 3.8 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCC(C)(C)Sc3ccccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 57403235 | 67468 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 16 | 2 | 8 | 2.2 | COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909731 | 67468 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 457 | 16 | 2 | 8 | 2.2 | COCCN(CCOC)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 56673733 | 65034 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829330 | 65034 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 429 | 8 | 2 | 5 | 3.0 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 136000663 | 62359 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783921 | 62359 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc[nH]c2=O)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL2440182 | 208718 | 0 | None | -12 | 2 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]2[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)[C@H]2C(=O)OC)[C@H]1C(=O)OC | 10.1021/jm4008505 | ||||
| 10892960 | 52138 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 4 | 2 | 3 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | ||
| CHEMBL159070 | 52138 | 0 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 333 | 4 | 2 | 3 | 3.4 | COc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | ||
| CHEMBL3104112 | 209297 | 0 | None | -69 | 3 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)c1cccnc1SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2013.11.061 | ||||
| CHEMBL4279133 | 211635 | 0 | None | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281010 | 211655 | 0 | None | -316 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| 136000675 | 62806 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784121 | 62806 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1789629 | 62806 | 0 | None | - | 1 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(=O)[nH]cc1C1=N[C@@](c2ccc(F)cc2)(c2ccc(F)nc2)[C@H](C)N1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL4279133 | 211635 | 0 | None | -7 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC(=O)O)Cc1ccc(O)cc1)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4281010 | 211655 | 0 | None | -316 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL411117 | 211108 | 0 | None | -2454 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OC)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||||
| 44345854 | 113982 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL333509 | 113982 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 269 | 2 | 1 | 2 | 4.1 | Cc1[nH]c(-c2cccnc2)nc1-c1ccc(Cl)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
| 76332713 | 105221 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126044 | 105221 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 415 | 4 | 1 | 4 | 4.4 | C[C@H]1CN([C@H]2CC[C@@H](C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C(=O)O1 | 10.1016/j.bmcl.2014.02.023 | ||
| 54583973 | 62441 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 410 | 5 | 1 | 6 | 2.7 | CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784119 | 62441 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 410 | 5 | 1 | 6 | 2.7 | CCOn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
| 9907999 | 164305 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| CHEMBL422012 | 164305 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 382 | 4 | 2 | 3 | 4.5 | CCc1cc(-c2cc(NC(=O)C3Cc4ccc5ccccc5c4C3)[nH]n2)ccn1 | 10.1021/jm025513q | ||
| 136088971 | 62358 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783920 | 62358 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 366 | 3 | 2 | 4 | 2.7 | C[C@@H]1NC(c2ccc(=O)[nH]c2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 9821993 | 154509 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 3 | 2.6 | CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL401726 | 154509 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 394 | 3 | 1 | 3 | 2.6 | CC(=O)N1CCC(N(C)C(=O)NC2CCN(c3cc(F)cc(F)c3)CC2)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 54752621 | 67462 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909725 | 67462 | 0 | None | -1 | 2 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 369 | 10 | 2 | 6 | 2.2 | CN(C)S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 3107239 | 178084 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL467813 | 178084 | 1 | None | - | 1 | Human | 7.2 | pKi | = | 7.2 | Binding | ChEMBL | 400 | 1 | 1 | 4 | 5.7 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Cl)cccc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 155543070 | 172608 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4522438 | 172608 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL4570354 | 172608 | 0 | None | -436 | 4 | Human | 6.2 | pKi | = | 6.2 | Binding | ChEMBL | 1761 | 57 | 30 | 22 | -3.5 | CCC(=O)N[C@@H](CCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O | 10.1021/acs.jmedchem.6b00309 | ||
| CHEMBL438914 | 212049 | 14 | None | -275 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC | 10.1021/jm010031k | ||||
| 46913408 | 105231 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126054 | 105231 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 44294739 | 186189 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 442 | 9 | 3 | 5 | 3.6 | O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL48904 | 186189 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 442 | 9 | 3 | 5 | 3.6 | O=C(NCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12 | 10.1016/s0960-894x(02)00288-3 | ||
| 44294789 | 188347 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 464 | 10 | 2 | 3 | 4.6 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL50807 | 188347 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 464 | 10 | 2 | 3 | 4.6 | O=C(NCCCCCCNS(=O)(=O)c1cccc2ccccc12)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| 44295138 | 192579 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL52332 | 192579 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 535 | 8 | 2 | 5 | 4.8 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3cccc([N+](=O)[O-])c3c2)CC1)C1CCc2ccccc2C1 | 10.1016/s0960-894x(02)00288-3 | ||
| 71461713 | 79220 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 6 | 1 | 4 | 4.3 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL2115090 | 79220 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 364 | 6 | 1 | 4 | 4.3 | CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ncc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 57396287 | 67632 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 11 | 2 | 8 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912066 | 67632 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 468 | 11 | 2 | 8 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 57392791 | 67466 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 2 | 7 | 2.7 | CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909729 | 67466 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 439 | 10 | 2 | 7 | 2.7 | CC1CN(S(=O)(=O)NCCCCCNc2nc(-c3ccccn3)cs2)CC(C)O1 | 10.1016/j.bmcl.2011.08.072 | ||
| 44283050 | 158923 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||
| 91931647 | 158923 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||
| CHEMBL410166 | 158923 | 0 | None | -17378 | 4 | Human | 5.1 | pKi | = | 5.1 | Binding | ChEMBL | 2323 | 60 | 32 | 30 | -6.7 | CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NC[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)CN[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O | 10.1021/jm010031k | ||
| CHEMBL4277676 | 211617 | 0 | None | -100 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4277676 | 211617 | 0 | None | -100 | 4 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287058 | 211709 | 0 | None | -316 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4291016 | 211747 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294418 | 211773 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4287058 | 211709 | 0 | None | -316 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4291016 | 211747 | 0 | None | -7 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
| CHEMBL4294418 | 211773 | 0 | None | -616 | 4 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CCC(=O)NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)[C@@H](C)O)C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@H](CCCCN)NC1=O | 10.1021/acs.jmedchem.8b01046 | ||||
| 20610119 | 97164 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL270999 | 97164 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccc(F)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 20647096 | 67647 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 3.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912081 | 67647 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 10 | 2 | 6 | 3.9 | O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F | 10.1016/j.bmcl.2011.08.072 | ||
| 9972871 | 200866 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 4.1 | CCn1c2ccccc2c2cc(-c3nc4c[nH]cnc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL61175 | 200866 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 313 | 2 | 1 | 4 | 4.1 | CCn1c2ccccc2c2cc(-c3nc4c[nH]cnc-4n3)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 44345820 | 110129 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| CHEMBL325727 | 110129 | 1 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 255 | 2 | 1 | 2 | 3.8 | Clc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1 | 10.1016/s0960-894x(03)00747-9 | ||
| 70683238 | 73125 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.7 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016736 | 73125 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 420 | 3 | 1 | 4 | 4.7 | CN(C(=O)Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@]2(CC1)COc1ccccc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 46913511 | 105219 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.0 | O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126042 | 105219 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 401 | 4 | 1 | 4 | 4.0 | O=C1OCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 46913408 | 105230 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126053 | 105230 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 399 | 4 | 1 | 3 | 4.1 | O=C1CCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 9982218 | 101281 | 4 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL1435188 | 101281 | 4 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| CHEMBL299879 | 101281 | 4 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
| 9952193 | 100107 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm025513q | ||
| CHEMBL291666 | 100107 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 387 | 6 | 2 | 4 | 4.4 | COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)[nH]n2)cc1OC | 10.1021/jm025513q | ||
| 56659888 | 65023 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829319 | 65023 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3cc(F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 10432823 | 62454 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 3.9 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1784133 | 62454 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 430 | 4 | 1 | 5 | 3.9 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cn(C(F)F)c1=O | 10.1016/j.bmc.2009.05.069 | ||
| 54581508 | 62362 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783924 | 62362 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 380 | 3 | 2 | 4 | 3.0 | Cc1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)[nH]c(=O)c1 | 10.1016/j.bmc.2009.05.069 | ||
| 54582496 | 62365 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| CHEMBL1783927 | 62365 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 400 | 3 | 2 | 4 | 3.4 | C[C@@H]1NC(c2ccc(Cl)c(=O)[nH]2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
| 44139355 | 186448 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 5 | 1 | 4 | 4.7 | CCC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| CHEMBL490949 | 186448 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 402 | 5 | 1 | 4 | 4.7 | CCC[C@@H]1NC(c2cc(C#N)ccn2)=NC1(c1ccc(F)cc1)c1ccc(F)cc1 | 10.1021/jm900110t | ||
| 10205608 | 97600 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL273182 | 97600 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2cccc(Br)c2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 70687456 | 72957 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.0 | Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| CHEMBL2013027 | 72957 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 405 | 7 | 2 | 4 | 3.0 | Cc1cc2ccccc2n1CC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2012.01.117 | ||
| 57398082 | 67640 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1912074 | 67640 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 345 | 9 | 2 | 6 | 3.0 | CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 11758930 | 51815 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 3 | 2 | 2 | 3.7 | Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | ||
| CHEMBL158759 | 51815 | 3 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 317 | 3 | 2 | 2 | 3.7 | Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | ||
| 20647090 | 67463 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 9 | 3 | 6 | 1.6 | NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| CHEMBL1909726 | 67463 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 341 | 9 | 3 | 6 | 1.6 | NS(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 | 10.1016/j.bmcl.2011.08.072 | ||
| 24950713 | 178212 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)=C(O)C1 | 10.1021/jm8003587 | ||
| CHEMBL469041 | 178212 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 384 | 1 | 1 | 4 | 5.1 | CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccc(F)cc32)=C(O)C1 | 10.1021/jm8003587 | ||
| 20610117 | 97163 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL270997 | 97163 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 472 | 4 | 1 | 4 | 2.5 | CN(C(=O)NC1CCN(c2ccc(Br)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 70683240 | 73130 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 4.1 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016741 | 73130 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 443 | 3 | 1 | 6 | 4.1 | CN(C(=O)Nc1cnc(-c2ccccc2)cn1)[C@H]1CC[C@@]2(CC1)Cc1cnccc1C(=O)O2 | 10.1016/j.bmcl.2012.02.098 | ||
| 24950558 | 188590 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 3 | 1 | 5 | 5.4 | CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL511264 | 188590 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 410 | 3 | 1 | 5 | 5.4 | CCOc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 70695856 | 73123 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 3 | 2 | 6 | 3.5 | O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| CHEMBL2016734 | 73123 | 0 | None | - | 1 | Human | 6.1 | pKi | = | 6.1 | Binding | ChEMBL | 421 | 3 | 2 | 6 | 3.5 | O=C(Nc1ccn(-c2ccccc2F)n1)NC1CCC2(CC1)OC(=O)c1ccncc12 | 10.1016/j.bmcl.2012.02.098 | ||
| 56677042 | 65033 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 2.4 | COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829329 | 65033 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 425 | 9 | 2 | 6 | 2.4 | COc1ccc2c(c1)OCCN2CCN[C@H]1CC[C@H](CNS(=O)(=O)C(C)C)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 20610110 | 154801 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| CHEMBL403282 | 154801 | 0 | None | - | 1 | Human | 7.1 | pKi | = | 7.1 | Binding | ChEMBL | 412 | 4 | 1 | 4 | 1.9 | CN(C(=O)NC1CCN(c2ccccc2F)CC1)C1CCN(S(C)(=O)=O)CC1 | 10.1016/j.bmcl.2007.11.132 | ||
| 46913512 | 105225 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 3.9 | O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126048 | 105225 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 414 | 4 | 2 | 3 | 3.9 | O=C1NCCCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 76310949 | 105229 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.4 | O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| CHEMBL3126052 | 105229 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 440 | 5 | 1 | 3 | 4.4 | O=C1N(C2CC2)CCN1[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 | 10.1016/j.bmcl.2014.02.023 | ||
| 46209598 | 65036 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 8 | 2 | 5 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829332 | 65036 | 0 | None | - | 1 | Human | 8.0 | pKi | = | 8.0 | Binding | ChEMBL | 463 | 8 | 2 | 5 | 3.4 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(C(F)(F)F)ccc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| 11057532 | 53885 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 5 | 2 | 3 | 4.2 | CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | ||
| CHEMBL160722 | 53885 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 361 | 5 | 2 | 3 | 4.2 | CC(C)Oc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)[nH]n2)cc1 | 10.1021/jm025513q | ||
| 9922092 | 100589 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| CHEMBL294822 | 100589 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
| 9930634 | 178186 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| CHEMBL468846 | 178186 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 396 | 2 | 1 | 5 | 5.0 | COc1ccc2c(c1)OC1=C(C(=O)CC(C)(C)C1)C2C1=C(O)CC(C)(C)CC1=O | 10.1021/jm8003587 | ||
| 44295115 | 192644 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 3 | 3 | 6.1 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00288-3 | ||
| CHEMBL52382 | 192644 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 519 | 7 | 3 | 3 | 6.1 | O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3ccccc23)CC1)Nc1ccc(Cl)c(Cl)c1 | 10.1016/s0960-894x(02)00288-3 | ||
| 56677040 | 65022 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| CHEMBL1829318 | 65022 | 0 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 441 | 7 | 2 | 5 | 1.6 | CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2C(=O)COc3ccc(F)cc32)CC1 | 10.1016/j.bmcl.2011.06.078 | ||
| None | 214275 | 0 | 125I-hPP | -295 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 126455957 | 214273 | 0 | 125I-hPP | -2 | 5 | Rat | 9.4 | pKi | = | 9.4 | Binding | PDSP KiDatabase | 4307 | 134 | 63 | 59 | -16.4 | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CNC=N6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N | None | ||
| None | 214277 | 0 | 125I-hPP | -8317 | 8 | Rat | 9.2 | pKi | = | 9.2 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | ||
| 56841989 | 211662 | 4 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
| CHEMBL4281479 | 211662 | 4 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
| 1562 | 884 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
| 5312114 | 884 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
| CHEMBL17645 | 884 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
| CHEMBL195380 | 884 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
| None | 214275 | 0 | 3H-Propionyl-NPY | -1318 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 21129772 | 168846 | 3 | 125I-PYY | -309 | 9 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
| 21129772 | 168846 | 3 | 125I-PYY | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
| 21129772 | 168846 | 3 | 125I-hPP | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
| CHEMBL44246 | 168846 | 3 | 125I-PYY | -309 | 9 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
| CHEMBL44246 | 168846 | 3 | 125I-PYY | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
| CHEMBL44246 | 168846 | 3 | 125I-hPP | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
| None | 214275 | 0 | 125I-PYY | -331131 | 13 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214472 | 0 | 125I-hPP | -131 | 3 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 895 | 16 | 5 | 11 | 3.3 | C1CCC(C1)(CC(=O)NC(CCCN=C(N)N)C(=O)NCCN2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)N5CCN(CC5)C6C7=CC=CC=C7C(=O)NC8=CC=CC=C68 | None | ||
| None | 214671 | 0 | 125I-hPP | - | 1 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 643 | 13 | 7 | 5 | 2.5 | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)N.C(=O)(C(F)(F)F)O | None | ||
| None | 214275 | 0 | 125I-PYY | -1318 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214277 | 0 | 125I-PYY | -8317 | 8 | Rat | 6.5 | pKi | = | 6.5 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | ||
| None | 214275 | 0 | 125I-PYY | -295 | 13 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 214277 | 0 | 125I-PYY | -162181 | 8 | Human | 6.4 | pKi | = | 6.4 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | ||
| 56841989 | 211662 | 4 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
| CHEMBL4281479 | 211662 | 4 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
| None | 214277 | 0 | 125I-PYY | -8317 | 8 | Rat | 7.2 | pKi | = | 7.2 | Binding | PDSP KiDatabase | 444 | 3 | 1 | 3 | 7.0 | C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=CC=C6 | None | ||
| 1565 | 2168 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | ||
| 624746 | 2168 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | ||
| CHEMBL491762 | 2168 | 15 | None | 1 | 2 | Human | 7.6 | pKi | = | 7.6 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | ||
| 1527 | 2262 | 0 | None | -25 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1549 | 2832 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1549 | 2832 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817422 | 2832 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817422 | 2832 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1504 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1518 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1521 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 24868177 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44288922 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 77068007 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 90479759 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL438945 | 2757 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1504 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1518 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1521 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 24868177 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44288922 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 77068007 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 90479759 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL438945 | 2757 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1557 | 2829 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44328226 | 2829 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL439478 | 2829 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1529 | 1813 | 0 | None | -31622 | 5 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1513 | 2941 | 0 | None | -19952 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1513 | 2941 | 0 | None | -15848 | 6 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1557 | 2829 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44328226 | 2829 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL439478 | 2829 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1516 | 3179 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1516 | 3179 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 57339564 | 3179 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 57339564 | 3179 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91898411 | 3179 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91898411 | 3179 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1507 | 2827 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44351001 | 2827 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91929182 | 2827 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL265849 | 2827 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1565 | 2168 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | ||
| 624746 | 2168 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | ||
| CHEMBL491762 | 2168 | 15 | None | -1 | 2 | Rat | 7.5 | pKi | None | 7.5 | Binding | Guide to Pharmacology | 366 | 1 | 1 | 4 | 5.0 | OC1=C(C(=O)CC(C1)(C)C)C1C2=C(Oc3c1cccc3)CC(CC2=O)(C)C | 10872822 | ||
| 1507 | 2827 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44351001 | 2827 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91929182 | 2827 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL265849 | 2827 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1510 | 2835 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817418 | 2835 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 16142730 | 2835 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1512 | 2943 | 0 | None | -501 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1554 | 3180 | 0 | None | -2 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1544 | 1467 | 0 | None | -1 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1544 | 1467 | 0 | None | 1 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1564 | 2072 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | ||
| 73755001 | 2072 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | ||
| 1560 | 332 | 0 | None | - | 1 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1554 | 3180 | 0 | None | 2 | 3 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1527 | 2262 | 0 | None | -31 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1510 | 2835 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817418 | 2835 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 16142730 | 2835 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1561 | 3094 | 0 | None | - | 1 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1512 | 2943 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1512 | 2943 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1515 | 2992 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL269503 | 2992 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1524 | 2261 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1524 | 2261 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1515 | 2992 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL269503 | 2992 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1524 | 2261 | 0 | None | 1 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1562 | 884 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||
| 5312114 | 884 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||
| CHEMBL17645 | 884 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||
| CHEMBL195380 | 884 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||