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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 220257 | 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 | 217805 | 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 | 190351 | 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 | 190351 | 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 | 220154 | 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 | 220274 | 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 | 220154 | 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 | 220274 | 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 | 217801 | 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 | 217800 | 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 | 220229 | 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 | 220229 | 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 | 215992 | 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 | 220185 | 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 | 220185 | 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 | 217799 | 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 | 220152 | 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 | 10556 | 42 | 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 | 10556 | 42 | 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 | 10556 | 42 | 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 | 220152 | 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 | 220180 | 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 | 217802 | 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 | 220310 | 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 | 220180 | 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 | 220310 | 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 | 220633 | 13 | 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 | 217802 | 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 | 220147 | 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 | 220243 | 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 | 220147 | 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 | 220243 | 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 | 220236 | 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 | 220309 | 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 | 220236 | 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 | 220309 | 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 | 220192 | 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 | 220192 | 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 | 220169 | 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 | 220169 | 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 | 220316 | 15 | 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 | 220178 | 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 | 220292 | 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 | 220178 | 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 | 220292 | 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 | 220208 | 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 | 220216 | 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 | 220208 | 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 | 220216 | 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 | 220633 | 13 | 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 | 72751 | 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 | 72751 | 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 | 104933 | 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 | 104933 | 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 | 72746 | 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 | 72746 | 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 | 71361 | 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 | 71361 | 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 | 195737 | 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 | 195737 | 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 | 206822 | 38 | 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 | 206822 | 38 | 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 | 72749 | 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 | 72749 | 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 | 190983 | 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 | 190983 | 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 | 194635 | 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 | 194635 | 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 | 194800 | 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 | 194800 | 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 | 72744 | 32 | 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 | 72744 | 32 | 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 | 72753 | 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 | 72753 | 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 | 72742 | 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 | 72742 | 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 | 78015 | 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 | 78015 | 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 | 66727 | 1 | 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 | 66727 | 1 | 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 | 78042 | 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 | 78042 | 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 | 78040 | 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 | 78040 | 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 | 185308 | 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 | 185308 | 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 | 117365 | 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 | 117365 | 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 | 70022 | 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 | 70022 | 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 | 185601 | 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 | 185601 | 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 | 171647 | 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 | 171647 | 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 | 78038 | 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 | 78038 | 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 | 78016 | 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 | 78016 | 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 | 78013 | 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 | 78013 | 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 | 69570 | 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 | 69570 | 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 | 78021 | 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 | 78021 | 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 | 105357 | 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 | 105357 | 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 | 78033 | 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 | 78033 | 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 | 193857 | 10 | 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 | 193857 | 10 | 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 | 67823 | 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 | 67823 | 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 | 78036 | 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 | 78036 | 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 | 193819 | 1 | 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 | 193819 | 1 | 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 | 104907 | 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 | 104907 | 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 | 105626 | 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 | 105626 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 58631 | 6 | 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 | 58631 | 6 | 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 | 65810 | 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 | 65810 | 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 | 173913 | 1 | 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 | 173913 | 1 | 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 | 78019 | 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 | 78019 | 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 | 78030 | 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 | 78030 | 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 | 67064 | 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 | 67064 | 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 | 66517 | 1 | 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 | 66517 | 1 | 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 | 105330 | 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 | 105330 | 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 | 171647 | 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 | 171647 | 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 | 105599 | 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 | 105599 | 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 | 72743 | 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 | 72743 | 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 | 72759 | 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 | 72759 | 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 | 72745 | 1 | 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 | 72745 | 1 | 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 | 78017 | 3 | 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 | 78017 | 3 | 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 | 78029 | 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 | 78029 | 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 | 105667 | 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 | 105667 | 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 | 78014 | 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 | 78014 | 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 | 66788 | 1 | 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 | 66788 | 1 | 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 | 68144 | 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 | 68144 | 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 | 195781 | 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 | 195781 | 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 | 72726 | 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 | 72726 | 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 | 78035 | 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 | 78035 | 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 | 117329 | 41 | 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 | 117329 | 41 | 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 | 170003 | 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 | 170003 | 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 | 65864 | 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 | 65864 | 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 | 66959 | 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 | 66959 | 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 | 67212 | 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 | 67212 | 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 | 105698 | 3 | 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 | 105698 | 3 | 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 | 67176 | 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 | 67176 | 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 | 72741 | 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 | 72741 | 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 | 66385 | 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 | 66385 | 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 | 185421 | 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 | 185421 | 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 | 68163 | 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 | 68163 | 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 | 78034 | 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 | 78034 | 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 | 105466 | 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 | 105466 | 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 | 72750 | 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 | 72750 | 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 | 193750 | 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 | 193750 | 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 | 70033 | 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 | 70033 | 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 | 50493 | 6 | 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 | 50493 | 6 | 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 | 67043 | 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 | 67043 | 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 | 67124 | 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 | 67124 | 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 | 78037 | 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 | 78037 | 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 | 185594 | 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 | 185594 | 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 | 66895 | 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 | 66895 | 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 | 105327 | 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 | 105327 | 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 | 117329 | 41 | 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 | 117329 | 41 | 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 | 193927 | 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 | 193927 | 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 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 196250 | 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 | 196250 | 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 | 194779 | 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 | 194779 | 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 | 78032 | 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 | 78032 | 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 | 78043 | 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 | 78043 | 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 | 199872 | 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 | 199872 | 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 | 199428 | 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 | 199428 | 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 | 78020 | 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 | 78020 | 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 | 105241 | 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 | 105241 | 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 | 78039 | 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 | 78039 | 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 | 57786 | 5 | 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 | 57786 | 5 | 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 | 185478 | 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 | 185478 | 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 | 78041 | 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 | 78041 | 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 | 69569 | 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 | 69569 | 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 | 72752 | 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 | 72752 | 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 | 67158 | 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 | 67158 | 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 | 185419 | 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 | 185419 | 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 | 196146 | 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 | 196146 | 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 | 78018 | 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 | 78018 | 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 | 72748 | 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 | 72748 | 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 | 196170 | 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 | 196170 | 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 | 72747 | 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 | 72747 | 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 | 78031 | 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 | 78031 | 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 | 24317 | 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 | 24317 | 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 | 24352 | 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 | 24352 | 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 | 24383 | 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 | 24383 | 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 | 24316 | 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 | 24316 | 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 | 24414 | 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 | 24414 | 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 | 24561 | 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 | 24561 | 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 | 24351 | 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 | 24351 | 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 | 24213 | 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 | 24213 | 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 | 24413 | 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 | 24413 | 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 | 24451 | 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 | 24451 | 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 | 24524 | 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 | 24524 | 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 | 24214 | 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 | 24214 | 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 | 24251 | 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 | 24251 | 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 | 24252 | 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 | 24252 | 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 | 24523 | 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 | 24523 | 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 | 25872 | 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 | 25872 | 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 | 24452 | 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 | 24452 | 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 | 24488 | 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 | 24488 | 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 | 25871 | 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 | 25871 | 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 | 24562 | 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 | 24562 | 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 | 24382 | 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 | 24382 | 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 | 24594 | 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 | 24594 | 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 | 25886 | 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 | 25886 | 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 | 25906 | 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 | 25906 | 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 | 25999 | 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 | 25999 | 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 | 21781 | 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 | 21781 | 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 | 25939 | 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 | 25939 | 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 | 24176 | 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 | 24176 | 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 | 21784 | 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 | 21784 | 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 | 21825 | 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 | 21825 | 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 | 25887 | 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 | 25887 | 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 | 25973 | 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 | 25973 | 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 | 26000 | 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 | 26000 | 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 | 21782 | 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 | 21782 | 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 | 21795 | 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 | 21795 | 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 | 72751 | 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 | 72751 | 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 | 72749 | 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 | 72749 | 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 | 24286 | 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 | 24286 | 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 | 21763 | 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 | 21763 | 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 | 21770 | 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 | 21770 | 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 | 21771 | 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 | 21771 | 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 | 72756 | 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 | 72756 | 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 | 72758 | 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 | 72758 | 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 | 21826 | 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 | 21826 | 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 | 25851 | 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 | 25851 | 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 | 25923 | 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 | 25923 | 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 | 25956 | 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 | 25956 | 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 | 72746 | 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 | 72746 | 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 | 72744 | 32 | 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 | 72744 | 32 | 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 | 72744 | 32 | 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 | 72744 | 32 | 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 | 24489 | 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 | 24489 | 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 | 21764 | 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 | 21764 | 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 | 21808 | 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 | 21808 | 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 | 26110 | 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 | 26110 | 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 | 72757 | 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 | 72757 | 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 | 72743 | 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 | 72743 | 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 | 24068 | 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 | 24068 | 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 | 24068 | 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 | 24068 | 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 | 21806 | 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 | 21806 | 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 | 109715 | 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 | 109715 | 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 | 21761 | 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 | 21761 | 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 | 72741 | 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 | 72741 | 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 | 21827 | 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 | 21827 | 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 | 21827 | 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 | 21827 | 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 | 72759 | 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 | 72759 | 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 | 108541 | 6 | 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 | 108541 | 6 | 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 | 108541 | 6 | 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 | 25852 | 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 | 25852 | 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 | 25972 | 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 | 25972 | 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 | 72754 | 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 | 72754 | 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 | 21760 | 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 | 21760 | 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 | 21762 | 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 | 21762 | 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 | 25922 | 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 | 25922 | 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 | 72745 | 1 | 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 | 72745 | 1 | 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 | 72742 | 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 | 72742 | 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 | 211877 | 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 | 211877 | 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 | 25957 | 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 | 25957 | 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 | 21754 | 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 | 21754 | 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 | 72752 | 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 | 72752 | 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 | 72753 | 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 | 72753 | 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 | 21807 | 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 | 21807 | 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 | 21809 | 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 | 21809 | 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 | 25985 | 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 | 25985 | 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 | 21805 | 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 | 21805 | 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 | 26111 | 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 | 26111 | 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 | 72726 | 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 | 72726 | 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 | 72747 | 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 | 72747 | 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 | 170118 | 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 | 170118 | 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 | 24287 | 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 | 24287 | 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 | 21769 | 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 | 21769 | 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 | 21794 | 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 | 21794 | 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 | 21797 | 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 | 21797 | 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 | 25907 | 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 | 25907 | 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 | 25984 | 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 | 25984 | 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 | 74594 | 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 | 74594 | 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 | 21740 | 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 | 21740 | 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 | 211949 | 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 | 211949 | 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 | 21783 | 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 | 21783 | 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 | 72755 | 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 | 72755 | 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 | 72748 | 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 | 72748 | 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 | 21796 | 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 | 21796 | 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 | 26015 | 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 | 26015 | 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 | 25940 | 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 | 25940 | 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 | 72750 | 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 | 72750 | 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 | 7124 | 0 | None | 1 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 1522 | 7124 | 0 | None | -1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
| 11589975 | 8455 | 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 | 8455 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 220185 | 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 | 220216 | 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 | 220147 | 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 | 220147 | 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 | 220185 | 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 | 220216 | 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 | 220292 | 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 | 220292 | 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 | 220246 | 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 | 220274 | 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 | 220246 | 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 | 220274 | 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 | 135260 | 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 | 135260 | 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 | 83677 | 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 | 83677 | 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 | 83680 | 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 | 83680 | 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 | 135263 | 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 | 135263 | 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 | 125756 | 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 | 125756 | 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 | 135258 | 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 | 135258 | 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 | 193983 | 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 | 193983 | 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 | 83576 | 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 | 83576 | 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 | 88123 | 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 | 88123 | 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 | 135257 | 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 | 135257 | 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 | 135262 | 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 | 135262 | 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 | 135264 | 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 | 135264 | 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 | 105239 | 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 | 105239 | 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 | 132220 | 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 | 132220 | 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 | 88121 | 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 | 88121 | 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 | 83690 | 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 | 83690 | 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 | 88114 | 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 | 88114 | 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 | 32361 | 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 | 32361 | 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 | 36159 | 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 | 36159 | 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 | 126060 | 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 | 126060 | 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 | 83686 | 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 | 83686 | 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 | 135255 | 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 | 135255 | 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 | 135256 | 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 | 135256 | 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 | 34991 | 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 | 34991 | 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 | 177584 | 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 | 177584 | 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 | 132230 | 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 | 132230 | 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 | 83669 | 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 | 83669 | 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 | 88118 | 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 | 88118 | 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 | 88118 | 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 | 88118 | 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 | 83666 | 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 | 83666 | 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 | 209566 | 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 | 209566 | 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 | 209566 | 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 | 209566 | 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 | 35084 | 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 | 35084 | 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 | 125991 | 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 | 125991 | 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 | 135271 | 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 | 135271 | 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 | 211926 | 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 | 211926 | 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 | 83676 | 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 | 83676 | 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 | 64928 | 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 | 64928 | 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 | 83684 | 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 | 83684 | 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 | 131180 | 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 | 131180 | 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 | 194459 | 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 | 194459 | 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 | 194459 | 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 | 194459 | 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 | 132232 | 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 | 132232 | 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 | 65907 | 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 | 65907 | 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 | 66729 | 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 | 66729 | 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 | 88112 | 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 | 88112 | 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 | 135275 | 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 | 135275 | 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 | 204379 | 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 | 204379 | 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 | 135279 | 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 | 135279 | 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 | 132219 | 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 | 132219 | 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 | 199841 | 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 | 199841 | 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 | 132229 | 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 | 132229 | 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 | 204991 | 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 | 204991 | 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 | 132231 | 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 | 132231 | 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 | 200080 | 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 | 200080 | 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 | 34570 | 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 | 34570 | 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 | 125342 | 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 | 125342 | 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 | 135269 | 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 | 135269 | 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 | 64347 | 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 | 64347 | 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 | 65907 | 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 | 65907 | 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 | 132217 | 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 | 132217 | 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 | 176116 | 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 | 176116 | 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 | 105303 | 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 | 105303 | 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 | 88122 | 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 | 88122 | 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 | 135267 | 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 | 135267 | 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 | 135272 | 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 | 135272 | 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 | 88127 | 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 | 88127 | 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 | 135257 | 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 | 135257 | 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 | 199866 | 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 | 199866 | 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 | 199866 | 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 | 199866 | 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 | 200203 | 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 | 200203 | 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 | 194526 | 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 | 194526 | 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 | 194822 | 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 | 194822 | 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 | 194013 | 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 | 194013 | 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 | 88126 | 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 | 88126 | 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 | 73929 | 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 | 73929 | 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 | 105684 | 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 | 105684 | 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 | 135262 | 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 | 135262 | 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 | 135261 | 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 | 135261 | 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 | 200019 | 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 | 200019 | 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 | 200019 | 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 | 200019 | 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 | 206505 | 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 | 206505 | 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 | 67326 | 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 | 67326 | 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 | 135265 | 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 | 135265 | 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 | 135268 | 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 | 135268 | 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 | 176164 | 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 | 176164 | 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 | 199386 | 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 | 199386 | 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 | 206849 | 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 | 206849 | 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 | 194348 | 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 | 194348 | 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 | 194348 | 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 | 194348 | 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 | 194469 | 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 | 194469 | 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 | 194469 | 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 | 194469 | 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 | 199384 | 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 | 199384 | 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 | 210822 | 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 | 210822 | 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 | 20815 | 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 | 20815 | 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 | 117366 | 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 | 117366 | 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 | 194817 | 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 | 194817 | 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 | 212438 | 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 | 212438 | 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 | 126705 | 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 | 126705 | 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 | 120092 | 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 | 120092 | 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 | 131824 | 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 | 131824 | 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 | 88129 | 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 | 88129 | 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 | 135276 | 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 | 135276 | 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 | 88125 | 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 | 88125 | 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 | 122199 | 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 | 122199 | 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 | 132228 | 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 | 132228 | 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 | 194534 | 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 | 194534 | 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 | 194621 | 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 | 194621 | 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 | 199938 | 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 | 199938 | 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 | 105309 | 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 | 105309 | 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 | 33096 | 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 | 33096 | 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 | 194687 | 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 | 194687 | 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 | 208608 | 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 | 208608 | 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 | 199972 | 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 | 199972 | 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 | 64900 | 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 | 64900 | 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 | 105309 | 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 | 105309 | 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 | 205161 | 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 | 205161 | 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 | 200260 | 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 | 200260 | 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 | 206748 | 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 | 206748 | 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 | 206822 | 38 | 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 | 206822 | 38 | 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 | 200073 | 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 | 200073 | 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 | 200080 | 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 | 200080 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 175968 | 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 | 175968 | 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 | 88119 | 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 | 88119 | 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 | 135259 | 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 | 135259 | 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 | 204832 | 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 | 204832 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 199841 | 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 | 199841 | 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 | 200094 | 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 | 200094 | 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 | 64863 | 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 | 64863 | 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 | 67185 | 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 | 67185 | 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 | 67326 | 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 | 67326 | 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 | 88124 | 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 | 88124 | 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 | 135270 | 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 | 135270 | 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 | 132224 | 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 | 132224 | 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 | 132225 | 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 | 132225 | 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 | 203860 | 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 | 203860 | 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 | 205692 | 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 | 205692 | 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 | 206564 | 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 | 206564 | 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 | 199834 | 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 | 199834 | 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 | 105684 | 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 | 105684 | 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 | 132211 | 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 | 132211 | 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 | 190983 | 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 | 190983 | 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 | 75672 | 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 | 75672 | 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 | 132576 | 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 | 132576 | 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 | 135280 | 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 | 135280 | 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 | 123508 | 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 | 123508 | 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 | 103731 | 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 | 103731 | 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 | 194650 | 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 | 194650 | 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 | 193848 | 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 | 193848 | 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 | 193927 | 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 | 193927 | 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 | 193927 | 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 | 193927 | 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 | 206599 | 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 | 206599 | 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 | 105562 | 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 | 105562 | 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 | 34800 | 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 | 34800 | 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 | 132222 | 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 | 132222 | 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 | 132227 | 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 | 132227 | 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 | 194634 | 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 | 194634 | 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 | 204802 | 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 | 204802 | 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 | 203838 | 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 | 203838 | 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 | 203867 | 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 | 203867 | 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 | 204420 | 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 | 204420 | 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 | 205747 | 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 | 205747 | 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 | 205758 | 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 | 205758 | 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 | 194533 | 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 | 194533 | 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 | 194652 | 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 | 194652 | 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 | 203867 | 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 | 203867 | 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 | 83685 | 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 | 83685 | 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 | 135281 | 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 | 135281 | 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 | 203839 | 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 | 203839 | 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 | 194759 | 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 | 194759 | 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 | 83672 | 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 | 83672 | 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 | 83687 | 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 | 83687 | 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 | 35325 | 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 | 35325 | 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 | 194746 | 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 | 194746 | 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 | 194801 | 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 | 194801 | 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 | 110190 | 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 | 110190 | 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 | 110189 | 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 | 110189 | 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 | 199854 | 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 | 199854 | 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 | 17784 | 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 | 17784 | 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 | 110220 | 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 | 110220 | 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 | 66426 | 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 | 66426 | 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 | 35020 | 4 | 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 | 35020 | 4 | 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 | 37449 | 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 | 37449 | 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 | 211639 | 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 | 211639 | 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 | 212480 | 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 | 212480 | 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 | 19659 | 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 | 19659 | 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 | 19659 | 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 | 105212 | 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 | 105212 | 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 | 64922 | 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 | 64922 | 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 | 190977 | 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 | 190977 | 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 | 193652 | 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 | 193652 | 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 | 168471 | 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 | 168471 | 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 | 199687 | 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 | 199687 | 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 | 19761 | 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 | 19761 | 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 | 19761 | 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 | 33055 | 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 | 33055 | 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 | 205231 | 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 | 205231 | 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 | 64883 | 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 | 64883 | 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 | 110200 | 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 | 110200 | 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 | 110206 | 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 | 110206 | 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 | 176194 | 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 | 176194 | 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 | 73706 | 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 | 73706 | 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 | 73908 | 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 | 73908 | 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 | 19911 | 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 | 19911 | 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 | 19911 | 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 | 55201 | 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 | 55201 | 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 | 83673 | 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 | 83673 | 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 | 194938 | 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 | 194938 | 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 | 104033 | 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 | 104033 | 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 | 210319 | 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 | 210319 | 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 | 35301 | 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 | 35301 | 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 | 109691 | 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 | 109691 | 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 | 92950 | 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 | 92950 | 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 | 19590 | 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 | 19590 | 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 | 19590 | 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 | 110267 | 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 | 110267 | 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 | 170875 | 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 | 170875 | 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 | 169351 | 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 | 169351 | 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 | 117389 | 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 | 117389 | 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 | 110227 | 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 | 110227 | 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 | 92935 | 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 | 92935 | 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 | 57041 | 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 | 57041 | 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 | 125575 | 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 | 125575 | 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 | 78129 | 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 | 78129 | 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 | 71117 | 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 | 71117 | 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 | 123454 | 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 | 123454 | 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 | 174586 | 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 | 174586 | 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 | 211765 | 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 | 211765 | 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 | 211949 | 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 | 211949 | 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 | 103840 | 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 | 103840 | 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 | 104139 | 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 | 104139 | 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 | 176014 | 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 | 176014 | 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 | 64915 | 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 | 64915 | 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 | 194839 | 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 | 194839 | 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 | 194048 | 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 | 194048 | 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 | 123423 | 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 | 123423 | 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 | 211741 | 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 | 211741 | 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 | 20698 | 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 | 20698 | 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 | 20698 | 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 | 70274 | 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 | 70274 | 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 | 19598 | 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 | 19598 | 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 | 19598 | 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 | 194564 | 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 | 194564 | 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 | 70245 | 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 | 70245 | 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 | 34803 | 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 | 34803 | 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 | 199919 | 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 | 199919 | 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 | 63938 | 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 | 63938 | 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 | 172908 | 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 | 172908 | 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 | 126027 | 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 | 126027 | 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 | 172142 | 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 | 172142 | 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 | 194882 | 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 | 194882 | 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 | 70539 | 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 | 70539 | 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 | 54818 | 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 | 54818 | 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 | 211605 | 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 | 211605 | 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 | 57860 | 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 | 57860 | 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 | 76266 | 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 | 76266 | 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 | 176490 | 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 | 176490 | 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 | 174558 | 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 | 174558 | 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 | 174558 | 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 | 174558 | 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 | 199875 | 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 | 199875 | 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 | 170121 | 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 | 170121 | 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 | 212390 | 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 | 212390 | 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 | 212391 | 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 | 212391 | 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 | 212641 | 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 | 212641 | 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 | 88116 | 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 | 88116 | 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 | 35019 | 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 | 35019 | 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 | 125557 | 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 | 125557 | 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 | 211749 | 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 | 211749 | 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 | 212144 | 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 | 212144 | 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 | 77216 | 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 | 77216 | 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 | 125959 | 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 | 125959 | 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 | 126843 | 3 | 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 | 126843 | 3 | 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 | 126843 | 3 | 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 | 126843 | 3 | 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 | 179860 | 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 | 179860 | 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 | 85130 | 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 | 85130 | 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 | 126000 | 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 | 126000 | 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 | 67128 | 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 | 67128 | 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 | 194248 | 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 | 194248 | 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 | 199444 | 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 | 199444 | 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 | 199912 | 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 | 199912 | 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 | 35401 | 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 | 35401 | 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 | 194547 | 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 | 194547 | 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 | 112599 | 43 | 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 | 112599 | 43 | 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 | 174831 | 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 | 174831 | 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 | 211839 | 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 | 211839 | 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 | 109933 | 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 | 109933 | 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 | 69560 | 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 | 69560 | 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 | 35223 | 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 | 35223 | 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 | 200140 | 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 | 200140 | 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 | 199975 | 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 | 199975 | 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 | 212365 | 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 | 212365 | 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 | 212457 | 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 | 212457 | 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 | 175465 | 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 | 175465 | 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 | 133074 | 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 | 133074 | 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 | 105303 | 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 | 105303 | 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 | 88115 | 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 | 88115 | 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 | 19648 | 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 | 19648 | 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 | 19648 | 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 | 126075 | 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 | 126075 | 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 | 108084 | 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 | 108084 | 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 | 54071 | 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 | 54071 | 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 | 109920 | 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 | 109920 | 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 | 33342 | 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 | 33342 | 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 | 212085 | 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 | 212085 | 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 | 212718 | 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 | 212718 | 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 | 193992 | 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 | 193992 | 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 | 212435 | 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 | 212435 | 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 | 71250 | 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 | 71250 | 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 | 199422 | 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 | 199422 | 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 | 112598 | 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 | 112598 | 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 | 110213 | 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 | 110213 | 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 | 71318 | 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 | 71318 | 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 | 58631 | 6 | 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 | 58631 | 6 | 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 | 58631 | 6 | 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 | 58631 | 6 | 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 | 34960 | 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 | 34960 | 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 | 126814 | 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 | 126814 | 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 | 88117 | 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 | 88117 | 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 | 112263 | 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 | 112263 | 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 | 20718 | 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 | 20718 | 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 | 20718 | 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 | 200118 | 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 | 200118 | 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 | 204625 | 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 | 204625 | 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 | 17804 | 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 | 17804 | 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 | 117365 | 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 | 117365 | 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 | 170239 | 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 | 170239 | 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 | 204024 | 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 | 204024 | 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 | 205721 | 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 | 205721 | 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 | 204024 | 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 | 204024 | 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 | 206600 | 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 | 206600 | 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 | 200067 | 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 | 200067 | 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 | 199851 | 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 | 199851 | 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 | 111059 | 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 | 111059 | 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 | 112404 | 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 | 112404 | 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 | 112759 | 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 | 112759 | 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 | 112905 | 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 | 112905 | 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 | 174803 | 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 | 174803 | 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 | 212371 | 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 | 212371 | 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 | 212383 | 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 | 212383 | 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 | 212453 | 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 | 212453 | 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 | 212738 | 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 | 212738 | 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 | 66729 | 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 | 66729 | 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 | 194347 | 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 | 194347 | 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 | 203976 | 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 | 203976 | 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 | 193651 | 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 | 193651 | 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 | 203976 | 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 | 203976 | 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 | 206910 | 1 | 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 | 206910 | 1 | 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 | 208146 | 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 | 208146 | 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 | 194347 | 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 | 194347 | 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 | 206822 | 38 | 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 | 206822 | 38 | 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 | 206849 | 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 | 206849 | 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 | 32513 | 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 | 32513 | 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 | 190980 | 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 | 190980 | 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 | 204629 | 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 | 204629 | 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 | 203584 | 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 | 203584 | 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 | 205532 | 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 | 205532 | 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 | 205723 | 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 | 205723 | 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 | 200152 | 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 | 200152 | 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 | 193801 | 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 | 193801 | 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 | 193852 | 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 | 193852 | 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 | 206880 | 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 | 206880 | 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 | 208634 | 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 | 208634 | 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 | 206819 | 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 | 206819 | 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 | 132226 | 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 | 132226 | 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 | 211401 | 9 | 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 | 211401 | 9 | 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 | 205712 | 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 | 205712 | 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 | 194528 | 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 | 194528 | 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 | 193645 | 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 | 193645 | 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 | 206819 | 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 | 206819 | 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 | 66313 | 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 | 66313 | 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 | 67185 | 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 | 67185 | 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 | 207922 | 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 | 207922 | 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 | 194800 | 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 | 194800 | 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 | 204834 | 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 | 204834 | 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 | 205235 | 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 | 205235 | 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 | 193927 | 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 | 193927 | 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 | 199958 | 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 | 199958 | 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 | 193849 | 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 | 193849 | 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 | 193877 | 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 | 193877 | 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 | 206716 | 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 | 206716 | 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 | 206749 | 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 | 206749 | 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 | 205287 | 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 | 205287 | 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 | 83689 | 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 | 83689 | 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 | 206597 | 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 | 206597 | 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 | 76808 | 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 | 76808 | 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 | 204627 | 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 | 204627 | 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 | 203618 | 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 | 203618 | 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 | 181420 | 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 | 181420 | 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 | 66313 | 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 | 66313 | 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 | 175968 | 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 | 175968 | 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 | 92951 | 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 | 92951 | 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 | 194635 | 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 | 194635 | 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 | 204962 | 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 | 204962 | 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 | 203586 | 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 | 203586 | 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 | 208527 | 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 | 208527 | 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 | 200035 | 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 | 200035 | 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 | 83675 | 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 | 83675 | 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 | 76357 | 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 | 76357 | 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 | 19671 | 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 | 19671 | 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 | 19671 | 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 | 204928 | 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 | 204928 | 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 | 208640 | 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 | 208640 | 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 | 70746 | 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 | 70746 | 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 | 66426 | 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 | 66426 | 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 | 92945 | 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 | 92945 | 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 | 132215 | 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 | 132215 | 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 | 132223 | 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 | 132223 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 205802 | 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 | 205802 | 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 | 194527 | 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 | 194527 | 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 | 205802 | 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 | 205802 | 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 | 206911 | 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 | 206911 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 111672 | 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 | 111672 | 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 | 105562 | 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 | 105562 | 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 | 92947 | 1 | 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 | 92947 | 1 | 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 | 126231 | 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 | 126231 | 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 | 200188 | 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 | 200188 | 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 | 110188 | 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 | 110188 | 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 | 210865 | 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 | 210865 | 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 | 194823 | 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 | 194823 | 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 | 193767 | 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 | 193767 | 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 | 212178 | 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 | 212178 | 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 | 212721 | 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 | 212721 | 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 | 19591 | 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 | 19591 | 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 | 19591 | 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 | 109715 | 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 | 109715 | 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 | 139264 | 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 | 139264 | 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 | 54625 | 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 | 54625 | 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 | 194017 | 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 | 194017 | 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 | 67105 | 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 | 67105 | 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 | 85358 | 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 | 85358 | 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 | 212527 | 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 | 212527 | 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 | 110217 | 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 | 110217 | 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 | 19639 | 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 | 19639 | 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 | 19639 | 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 | 83681 | 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 | 83681 | 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 | 67119 | 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 | 67119 | 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 | 126642 | 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 | 126642 | 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 | 174902 | 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 | 174902 | 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 | 112396 | 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 | 112396 | 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 | 112288 | 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 | 112288 | 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 | 119870 | 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 | 119870 | 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 | 108291 | 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 | 108291 | 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 | 92943 | 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 | 92943 | 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 | 35506 | 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 | 35506 | 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 | 123489 | 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 | 123489 | 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 | 175293 | 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 | 175293 | 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 | 70606 | 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 | 70606 | 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 | 16936 | 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 | 16936 | 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 | 109921 | 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 | 109921 | 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 | 193987 | 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 | 193987 | 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 | 193987 | 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 | 193987 | 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 | 212320 | 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 | 212320 | 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 | 110195 | 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 | 110195 | 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 | 20781 | 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 | 20781 | 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 | 20781 | 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 | 117396 | 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 | 117396 | 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 | 36164 | 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 | 36164 | 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 | 211493 | 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 | 211493 | 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 | 175917 | 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 | 175917 | 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 | 176286 | 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 | 176286 | 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 | 212136 | 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 | 212136 | 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 | 64324 | 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 | 64324 | 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 | 211854 | 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 | 211854 | 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 | 125561 | 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 | 125561 | 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 | 71320 | 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 | 71320 | 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 | 212388 | 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 | 212388 | 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 | 211658 | 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 | 211658 | 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 | 210741 | 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 | 210741 | 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 | 92937 | 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 | 92937 | 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 | 110917 | 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 | 110917 | 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 | 111169 | 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 | 111169 | 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 | 19951 | 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 | 19951 | 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 | 19951 | 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 | 108005 | 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 | 108005 | 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 | 34764 | 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 | 34764 | 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 | 194639 | 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 | 194639 | 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 | 34360 | 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 | 34360 | 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 | 173140 | 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 | 173140 | 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 | 212589 | 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 | 212589 | 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 | 206565 | 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 | 206565 | 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 | 19638 | 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 | 19638 | 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 | 19638 | 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 | 172987 | 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 | 172987 | 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 | 35481 | 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 | 35481 | 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 | 168613 | 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 | 168613 | 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 | 211727 | 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 | 211727 | 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 | 20279 | 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 | 20279 | 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 | 110214 | 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 | 110214 | 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 | 18415 | 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 | 18415 | 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 | 194241 | 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 | 194241 | 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 | 7299 | 14 | 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 | 7299 | 14 | 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 | 7299 | 14 | 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 | 175981 | 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 | 175981 | 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 | 35445 | 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 | 35445 | 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 | 200189 | 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 | 200189 | 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 | 212147 | 1 | 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 | 212147 | 1 | 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 | 165564 | 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 | 165564 | 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 | 179361 | 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 | 179361 | 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 | 53036 | 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 | 53036 | 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 | 36047 | 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 | 36047 | 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 | 211754 | 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 | 211754 | 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 | 33994 | 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 | 33994 | 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 | 211276 | 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 | 211276 | 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 | 112403 | 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 | 112403 | 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 | 170418 | 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 | 170418 | 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 | 211706 | 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 | 211706 | 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 | 111525 | 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 | 111525 | 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 | 34528 | 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 | 34528 | 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 | 132221 | 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 | 132221 | 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 | 194468 | 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 | 194468 | 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 | 200071 | 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 | 200071 | 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 | 205238 | 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 | 205238 | 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 | 17104 | 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 | 17104 | 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 | 117329 | 41 | 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 | 117329 | 41 | 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 | 174869 | 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 | 174869 | 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 | 203625 | 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 | 203625 | 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 | 194093 | 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 | 194093 | 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 | 194468 | 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 | 194468 | 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 | 200071 | 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 | 200071 | 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 | 104907 | 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 | 104907 | 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 | 111520 | 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 | 111520 | 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 | 212332 | 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 | 212332 | 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 | 212659 | 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 | 212659 | 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 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 1518 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 1521 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 24868177 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 44288922 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 77068007 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 90479759 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| CHEMBL438945 | 9583 | 8 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
| 71458606 | 88128 | 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 | 88128 | 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 | 135273 | 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 | 135273 | 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 | 203585 | 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 | 203585 | 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 | 199484 | 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 | 199484 | 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 | 211847 | 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 | 211847 | 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 | 204630 | 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 | 204630 | 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 | 205118 | 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 | 205118 | 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 | 132218 | 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 | 132218 | 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 | 204801 | 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 | 204801 | 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 | 193750 | 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 | 193750 | 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 | 170032 | 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 | 170032 | 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 | 204664 | 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 | 204664 | 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 | 205160 | 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 | 205160 | 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 | 199720 | 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 | 199720 | 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 | 194779 | 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 | 194779 | 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 | 199838 | 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 | 199838 | 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 | 135278 | 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 | 135278 | 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 | 190894 | 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 | 190894 | 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 | 63954 | 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 | 63954 | 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 | 92949 | 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 | 92949 | 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 | 132212 | 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 | 132212 | 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 | 105216 | 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 | 105216 | 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 | 204628 | 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 | 204628 | 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 | 194622 | 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 | 194622 | 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 | 206506 | 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 | 206506 | 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 | 29827 | 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 | 29827 | 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 | 211433 | 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 | 211433 | 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 | 195051 | 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 | 195051 | 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 | 19584 | 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 | 19584 | 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 | 19584 | 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 | 170341 | 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 | 170341 | 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 | 118164 | 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 | 118164 | 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 | 194271 | 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 | 194271 | 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 | 20748 | 1 | 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 | 20748 | 1 | 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 | 20748 | 1 | 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 | 77041 | 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 | 77041 | 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 | 109931 | 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 | 109931 | 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 | 175924 | 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 | 175924 | 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 | 76611 | 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 | 76611 | 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 | 83679 | 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 | 83679 | 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 | 63947 | 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 | 63947 | 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 | 35261 | 14 | 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 | 35261 | 14 | 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 | 60787 | 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 | 60787 | 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 | 92939 | 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 | 92939 | 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 | 35205 | 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 | 35205 | 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 | 104009 | 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 | 104009 | 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 | 194234 | 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 | 194234 | 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 | 128923 | 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 | 128923 | 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 | 171669 | 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 | 171669 | 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 | 19778 | 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 | 19778 | 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 | 123024 | 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 | 123024 | 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 | 110204 | 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 | 110204 | 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 | 110880 | 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 | 110880 | 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 | 17813 | 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 | 17813 | 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 | 210300 | 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 | 210300 | 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 | 211770 | 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 | 211770 | 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 | 117175 | 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 | 117175 | 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 | 119676 | 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 | 119676 | 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 | 199651 | 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 | 199651 | 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 | 211504 | 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 | 211504 | 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 | 109669 | 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 | 109669 | 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 | 123459 | 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 | 123459 | 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 | 179846 | 1 | 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 | 179846 | 1 | 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 | 107030 | 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 | 107030 | 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 | 200171 | 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 | 200171 | 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 | 176849 | 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 | 176849 | 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 | 211399 | 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 | 211399 | 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 | 212381 | 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 | 212381 | 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 | 172924 | 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 | 172924 | 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 | 63957 | 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 | 63957 | 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 | 212172 | 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 | 212172 | 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 | 83683 | 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 | 83683 | 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 | 34945 | 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 | 34945 | 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 | 211734 | 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 | 211734 | 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 | 186624 | 5 | 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 | 186624 | 5 | 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 | 186624 | 5 | 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 | 186624 | 5 | 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 | 83682 | 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 | 83682 | 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 | 108854 | 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 | 108854 | 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 | 108854 | 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 | 126937 | 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 | 126937 | 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 | 200057 | 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 | 200057 | 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 | 194046 | 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 | 194046 | 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 | 172414 | 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 | 172414 | 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 | 19599 | 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 | 19599 | 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 | 19599 | 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 | 20799 | 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 | 20799 | 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 | 71125 | 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 | 71125 | 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 | 194085 | 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 | 194085 | 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 | 110935 | 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 | 110935 | 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 | 171472 | 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 | 171472 | 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 | 212447 | 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 | 212447 | 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 | 212663 | 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 | 212663 | 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 | 111661 | 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 | 111661 | 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 | 111661 | 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 | 211852 | 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 | 211852 | 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 | 92946 | 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 | 92946 | 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 | 132213 | 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 | 132213 | 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 | 132216 | 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 | 132216 | 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 | 199955 | 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 | 199955 | 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 | 205063 | 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 | 205063 | 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 | 199955 | 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 | 199955 | 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 | 209453 | 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 | 209453 | 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 | 205105 | 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 | 205105 | 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 | 206883 | 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 | 206883 | 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 | 70644 | 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 | 70644 | 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 | 135274 | 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 | 135274 | 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 | 88120 | 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 | 88120 | 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 | 193819 | 1 | 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 | 193819 | 1 | 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 | 194020 | 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 | 194020 | 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 | 92938 | 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 | 92938 | 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 | 206599 | 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 | 206599 | 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 | 66031 | 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 | 66031 | 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 | 132214 | 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 | 132214 | 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 | 205804 | 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 | 205804 | 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 | 193879 | 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 | 193879 | 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 | 80223 | 47 | 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 | 80223 | 47 | 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 | 80223 | 47 | 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 | 80223 | 47 | 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 | 206748 | 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 | 206748 | 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 | 64863 | 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 | 64863 | 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 | 105216 | 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 | 105216 | 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 | 190984 | 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 | 190984 | 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 | 179541 | 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 | 179541 | 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 | 194301 | 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 | 194301 | 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 | 205104 | 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 | 205104 | 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 | 76596 | 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 | 76596 | 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 | 87933 | 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 | 87933 | 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 | 117118 | 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 | 117118 | 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 | 211206 | 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 | 211206 | 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 | 212103 | 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 | 212103 | 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 | 111672 | 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 | 111672 | 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 | 110205 | 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 | 110205 | 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 | 83678 | 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 | 83678 | 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 | 35058 | 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 | 35058 | 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 | 123575 | 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 | 123575 | 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 | 83668 | 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 | 83668 | 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 | 171941 | 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 | 171941 | 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 | 204835 | 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 | 204835 | 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 | 212086 | 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 | 212086 | 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 | 77682 | 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 | 77682 | 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 | 92940 | 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 | 92940 | 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 | 58366 | 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 | 58366 | 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 | 126115 | 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 | 126115 | 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 | 210675 | 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 | 210675 | 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 | 199891 | 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 | 199891 | 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 | 112633 | 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 | 112633 | 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 | 109860 | 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 | 109860 | 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 | 34461 | 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 | 34461 | 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 | 199978 | 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 | 199978 | 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 | 83671 | 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 | 83671 | 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 | 17820 | 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 | 17820 | 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 | 110203 | 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 | 110203 | 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 | 60546 | 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 | 60546 | 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 | 122271 | 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 | 122271 | 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 | 62352 | 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 | 62352 | 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 | 200053 | 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 | 200053 | 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 | 170279 | 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 | 170279 | 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 | 170118 | 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 | 170118 | 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 | 211849 | 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 | 211849 | 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 | 103812 | 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 | 103812 | 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 | 35108 | 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 | 35108 | 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 | 71384 | 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 | 71384 | 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 | 83667 | 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 | 83667 | 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 | 65996 | 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 | 65996 | 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 | 180139 | 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 | 180139 | 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 | 194434 | 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 | 194434 | 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 | 58846 | 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 | 58846 | 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 | 53781 | 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 | 53781 | 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 | 122134 | 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 | 122134 | 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 | 136435 | 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 | 136435 | 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 | 34859 | 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 | 34859 | 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 | 109857 | 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 | 109857 | 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 | 175834 | 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 | 175834 | 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 | 92952 | 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 | 92952 | 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 | 169266 | 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 | 169266 | 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 | 211726 | 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 | 211726 | 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 | 199959 | 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 | 199959 | 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 | 204631 | 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 | 204631 | 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 | 194295 | 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 | 194295 | 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 | 110952 | 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 | 110952 | 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 | 111672 | 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 | 111672 | 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 | 113913 | 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 | 113913 | 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 | 212171 | 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 | 212171 | 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 | 110216 | 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 | 110216 | 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 | 117170 | 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 | 117170 | 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 | 211930 | 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 | 211930 | 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 | 199872 | 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 | 199872 | 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 | 35867 | 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 | 35867 | 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 | 204833 | 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 | 204833 | 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 | 208622 | 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 | 208622 | 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 | 194047 | 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 | 194047 | 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 | 74333 | 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 | 74333 | 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 | 191106 | 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 | 191106 | 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 | 194651 | 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 | 194651 | 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 | 168554 | 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 | 168554 | 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 | 199428 | 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 | 199428 | 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 | 19697 | 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 | 19697 | 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 | 19697 | 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 | 19855 | 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 | 19855 | 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 | 19855 | 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 | 194912 | 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 | 194912 | 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 | 211887 | 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 | 211887 | 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 | 110357 | 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 | 110357 | 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 | 194864 | 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 | 194864 | 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 | 199858 | 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 | 199858 | 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 | 35930 | 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 | 35930 | 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 | 35297 | 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 | 35297 | 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 | 103786 | 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 | 103786 | 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 | 63920 | 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 | 63920 | 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 | 185463 | 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 | 185463 | 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 | 109803 | 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 | 109803 | 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 | 34953 | 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 | 34953 | 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 | 35056 | 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 | 35056 | 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 | 105654 | 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 | 105654 | 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 | 19724 | 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 | 19724 | 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 | 105654 | 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 | 105654 | 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 | 108932 | 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 | 108932 | 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 | 194233 | 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 | 194233 | 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 | 194272 | 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 | 194272 | 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 | 67285 | 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 | 67285 | 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 | 67285 | 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 | 126185 | 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 | 126185 | 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 | 126201 | 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 | 126201 | 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 | 63969 | 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 | 63969 | 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 | 134003 | 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 | 134003 | 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 | 194670 | 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 | 194670 | 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 | 64891 | 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 | 64891 | 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 | 35412 | 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 | 35412 | 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 | 199974 | 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 | 199974 | 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 | 129294 | 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 | 129294 | 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 | 125964 | 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 | 125964 | 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 | 210510 | 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 | 210510 | 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 | 211097 | 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 | 211097 | 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 | 211592 | 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 | 211592 | 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 | 83691 | 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 | 83691 | 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 | 194838 | 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 | 194838 | 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 | 126056 | 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 | 126056 | 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 | 175235 | 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 | 175235 | 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 | 194242 | 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 | 194242 | 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 | 125920 | 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 | 125920 | 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 | 111143 | 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 | 111143 | 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 | 111522 | 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 | 111522 | 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 | 212087 | 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 | 212087 | 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 | 212125 | 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 | 212125 | 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 | 212126 | 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 | 212126 | 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 | 212333 | 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 | 212333 | 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 | 212436 | 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 | 212436 | 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 | 212480 | 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 | 212480 | 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 | 173164 | 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 | 173164 | 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 | 130456 | 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 | 130456 | 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 | 205314 | 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 | 205314 | 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 | 194850 | 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 | 194850 | 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 | 67202 | 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 | 67202 | 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 | 193990 | 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 | 193990 | 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 | 173887 | 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 | 173887 | 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 | 83670 | 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 | 83670 | 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 | 211105 | 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 | 211105 | 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 | 211444 | 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 | 211444 | 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 | 211877 | 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 | 211877 | 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 | 195737 | 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 | 195737 | 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 | 193702 | 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 | 193702 | 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 | 88113 | 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 | 88113 | 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 | 210273 | 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 | 210273 | 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 | 19673 | 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 | 19673 | 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 | 19673 | 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 | 125930 | 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 | 125930 | 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 | 92953 | 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 | 92953 | 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 | 83674 | 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 | 83674 | 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 | 113913 | 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 | 113913 | 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 | 210818 | 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 | 210818 | 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 | 110582 | 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 | 110582 | 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 | 211659 | 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 | 211659 | 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 | 71149 | 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 | 71149 | 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 | 199436 | 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 | 199436 | 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 | 130862 | 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 | 130862 | 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 | 34796 | 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 | 34796 | 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 | 64216 | 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 | 64216 | 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 | 127245 | 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 | 127245 | 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 | 34851 | 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 | 34851 | 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 | 109944 | 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 | 109944 | 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 | 34621 | 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 | 34621 | 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 | 211551 | 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 | 211551 | 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 | 64225 | 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 | 64225 | 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 | 126695 | 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 | 126695 | 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 | 170221 | 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 | 170221 | 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 | 212367 | 1 | 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 | 212367 | 1 | 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 | 212589 | 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 | 212589 | 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 | 20614 | 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 | 20614 | 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 | 20614 | 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 | 117365 | 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 | 117365 | 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 | 20144 | 11 | 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 | 20144 | 11 | 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 | 171336 | 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 | 171336 | 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 | 212324 | 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 | 212324 | 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 | 212480 | 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 | 212480 | 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 | 110194 | 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 | 110194 | 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 | 204689 | 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 | 204689 | 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 | 92942 | 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 | 92942 | 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 | 194433 | 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 | 194433 | 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 | 168577 | 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 | 168577 | 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 | 193984 | 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 | 193984 | 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 | 204017 | 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 | 204017 | 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 | 193984 | 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 | 193984 | 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 | 83688 | 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 | 83688 | 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 | 70270 | 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 | 70270 | 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 | 199899 | 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 | 199899 | 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 | 51363 | 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 | 51363 | 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 | 70040 | 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 | 70040 | 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 | 199423 | 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 | 199423 | 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 | 211812 | 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 | 211812 | 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 | 117995 | 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 | 117995 | 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 | 211429 | 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 | 211429 | 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 | 112187 | 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 | 112187 | 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 | 211731 | 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 | 211731 | 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 | 17792 | 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 | 17792 | 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 | 62353 | 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 | 62353 | 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 | 34354 | 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 | 34354 | 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 | 32787 | 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 | 32787 | 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 | 35246 | 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 | 35246 | 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 | 121904 | 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 | 121904 | 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 | 200259 | 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 | 200259 | 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 | 171462 | 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 | 171462 | 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 | 64856 | 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 | 64856 | 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 | 110193 | 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 | 110193 | 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 | 173172 | 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 | 173172 | 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 | 123192 | 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 | 123192 | 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 | 37231 | 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 | 37231 | 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 | 110356 | 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 | 110356 | 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 | 106984 | 1 | 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 | 106984 | 1 | 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 | 211593 | 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 | 211593 | 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 | 211394 | 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 | 211394 | 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 | 19733 | 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 | 19733 | 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 | 19733 | 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 | 19401 | 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 | 19401 | 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 | 107186 | 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 | 107186 | 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 | 20388 | 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 | 20388 | 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 | 212031 | 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 | 212031 | 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 | 172685 | 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 | 172685 | 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 | 34592 | 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 | 34592 | 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 | 126199 | 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 | 126199 | 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 | 211383 | 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 | 211383 | 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 | 59509 | 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 | 59509 | 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 | 18064 | 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 | 18064 | 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 | 199902 | 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 | 199902 | 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 | 20704 | 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 | 20704 | 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 | 20704 | 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 | 109950 | 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 | 109950 | 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 | 193989 | 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 | 193989 | 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 | 107362 | 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 | 107362 | 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 | 32512 | 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 | 32512 | 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 | 199865 | 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 | 199865 | 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 | 20728 | 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 | 20728 | 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 | 20728 | 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 | 205187 | 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 | 205187 | 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 | 211415 | 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 | 211415 | 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 | 92936 | 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 | 92936 | 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 | 211701 | 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 | 211701 | 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 | 16902 | 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 | 16902 | 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 | 176203 | 4 | 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 | 176203 | 4 | 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 | 126828 | 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 | 126828 | 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 | 212485 | 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 | 212485 | 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 | 175359 | 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 | 175359 | 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 | 194881 | 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 | 194881 | 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 | 125994 | 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 | 125994 | 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 | 191105 | 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 | 191105 | 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 | 63274 | 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 | 63274 | 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 | 34377 | 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 | 34377 | 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 | 171635 | 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 | 171635 | 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 | 126891 | 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 | 126891 | 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 | 19751 | 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 | 19751 | 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 | 19751 | 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 | 36220 | 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 | 36220 | 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 | 77869 | 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 | 77869 | 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 | 70281 | 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 | 70281 | 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 | 130687 | 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 | 130687 | 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 | 129713 | 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 | 129713 | 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 | 129713 | 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 | 129713 | 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 | 109418 | 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 | 109418 | 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 | 204929 | 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 | 204929 | 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 | 211893 | 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 | 211893 | 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 | 73774 | 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 | 73774 | 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 | 67202 | 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 | 67202 | 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 | 198457 | 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 | 198457 | 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 | 194501 | 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 | 194501 | 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 | 190951 | 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 | 190951 | 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 | 92944 | 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 | 92944 | 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 | 20713 | 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 | 20713 | 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 | 20713 | 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 | 194012 | 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 | 194012 | 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 | 194012 | 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 | 194012 | 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 | 210603 | 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 | 210603 | 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 | 109679 | 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 | 109679 | 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 | 194588 | 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 | 194588 | 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 | 193824 | 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 | 193824 | 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 | 85294 | 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 | 85294 | 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 | 126852 | 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 | 126852 | 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 | 195635 | 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 | 195635 | 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 | 35365 | 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 | 35365 | 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 | 211845 | 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 | 211845 | 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 | 212249 | 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 | 212249 | 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 | 92948 | 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 | 92948 | 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 | 92941 | 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 | 92941 | 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 | 212354 | 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 | 212354 | 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 | 73951 | 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 | 73951 | 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 | 209515 | 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 | 209515 | 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 | 72144 | 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 | 72144 | 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 | 80087 | 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 | 80087 | 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 | 220229 | 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 | 220229 | 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 | 162148 | 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 | 162148 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 80079 | 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 | 80079 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 72147 | 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 | 72147 | 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 | 220152 | 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 | 220243 | 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 | 220152 | 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 | 220243 | 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 | 80258 | 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 | 80258 | 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 | 162363 | 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 | 162363 | 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 | 80224 | 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 | 80224 | 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 | 72146 | 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 | 72146 | 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 | 199480 | 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 | 199480 | 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 | 72150 | 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 | 72150 | 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 | 206999 | 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 | 206999 | 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 | 80266 | 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 | 80266 | 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 | 72150 | 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 | 72150 | 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 | 72145 | 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 | 72145 | 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 | 80077 | 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 | 80077 | 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 | 80089 | 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 | 80089 | 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 | 80092 | 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 | 80092 | 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 | 80265 | 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 | 80265 | 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 | 72144 | 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 | 72144 | 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 | 193756 | 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 | 193756 | 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 | 199947 | 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 | 199947 | 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 | 80088 | 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 | 80088 | 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 | 19470 | 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 | 19470 | 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 | 19470 | 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 | 80083 | 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 | 80083 | 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 | 173571 | 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 | 173571 | 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 | 61922 | 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 | 61922 | 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 | 61922 | 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 | 61922 | 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 | 80091 | 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 | 80091 | 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 | 101860 | 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 | 101860 | 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 | 220169 | 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 | 193857 | 10 | 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 | 193857 | 10 | 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 | 220169 | 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 | 193857 | 10 | 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 | 193857 | 10 | 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 | 73391 | 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 | 73391 | 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 | 73391 | 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 | 193669 | 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 | 193669 | 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 | 193669 | 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 | 193669 | 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 | 107809 | 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 | 107809 | 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 | 80082 | 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 | 80082 | 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 | 80085 | 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 | 80085 | 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 | 162238 | 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 | 162238 | 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 | 220180 | 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 | 117993 | 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 | 117993 | 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 | 220180 | 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 | 206822 | 38 | 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 | 206822 | 38 | 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 | 193720 | 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 | 193720 | 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 | 61922 | 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 | 61922 | 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 | 80086 | 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 | 80086 | 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 | 74596 | 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 | 74596 | 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 | 72148 | 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 | 72148 | 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 | 19403 | 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 | 19403 | 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 | 19403 | 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 | 80084 | 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 | 80084 | 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 | 102419 | 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 | 102419 | 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 | 74780 | 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 | 74780 | 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 | 19404 | 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 | 19404 | 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 | 19404 | 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 | 209522 | 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 | 209522 | 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 | 220147 | 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 | 80261 | 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 | 80261 | 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 | 112497 | 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 | 112497 | 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 | 80078 | 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 | 80078 | 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 | 126853 | 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 | 126853 | 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 | 86271 | 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 | 86271 | 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 | 196471 | 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 | 196471 | 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 | 220236 | 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 | 220249 | 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 | 220257 | 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 | 220155 | 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 | 220193 | 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 | 220275 | 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 | 193313 | 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 | 193313 | 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 | 108629 | 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 | 108629 | 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 | 108303 | 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 | 108303 | 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 | 74765 | 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 | 74765 | 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 | 107516 | 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 | 107516 | 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 | 80269 | 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 | 80269 | 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 | 69562 | 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 | 69562 | 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 | 197926 | 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 | 197926 | 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 | 74776 | 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 | 74776 | 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 | 72152 | 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 | 72152 | 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 | 74782 | 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 | 74782 | 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 | 215992 | 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 | 120742 | 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 | 120742 | 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 | 217253 | 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 | 74766 | 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 | 74766 | 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 | 109503 | 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 | 109503 | 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 | 112496 | 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 | 112496 | 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 | 177762 | 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 | 177762 | 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 | 80095 | 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 | 80095 | 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 | 59086 | 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 | 59086 | 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 | 193306 | 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 | 193306 | 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 | 220185 | 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 | 175767 | 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 | 175767 | 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 | 175767 | 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 | 220189 | 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 | 220216 | 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 | 220265 | 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 | 220289 | 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 | 69291 | 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 | 69291 | 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 | 101859 | 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 | 101859 | 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 | 220185 | 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 | 162183 | 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 | 162183 | 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 | 175767 | 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 | 175767 | 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 | 175767 | 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 | 220189 | 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 | 220216 | 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 | 220265 | 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 | 220289 | 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 | 209514 | 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 | 209514 | 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 | 124078 | 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 | 124078 | 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 | 72155 | 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 | 72155 | 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 | 185421 | 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 | 185421 | 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 | 195781 | 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 | 195781 | 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 | 168770 | 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 | 168770 | 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 | 195986 | 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 | 195986 | 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 | 145984 | 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 | 145984 | 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 | 145984 | 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 | 117319 | 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 | 117319 | 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 | 193815 | 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 | 193815 | 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 | 22355 | 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 | 22355 | 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 | 107854 | 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 | 107854 | 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 | 109058 | 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 | 109058 | 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 | 169572 | 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 | 169572 | 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 | 220178 | 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 | 220247 | 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 | 74763 | 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 | 74763 | 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 | 74773 | 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 | 74773 | 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 | 177768 | 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 | 177768 | 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 | 108326 | 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 | 108326 | 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 | 118095 | 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 | 118095 | 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 | 220222 | 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 | 74783 | 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 | 74783 | 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 | 207271 | 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 | 207271 | 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 | 121218 | 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 | 121218 | 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 | 220178 | 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 | 220247 | 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 | 85130 | 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 | 85130 | 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 | 220222 | 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 | 102171 | 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 | 102171 | 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 | 104799 | 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 | 104799 | 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 | 217260 | 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 | 185594 | 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 | 185594 | 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 | 220772 | 19 | 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 | 108451 | 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 | 108451 | 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 | 220772 | 19 | 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 | 74599 | 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 | 74599 | 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 | 74768 | 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 | 74768 | 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 | 72151 | 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 | 72151 | 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 | 74588 | 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 | 74588 | 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 | 80264 | 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 | 80264 | 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 | 74784 | 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 | 74784 | 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 | 20501 | 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 | 20501 | 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 | 72138 | 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 | 72138 | 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 | 72135 | 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 | 72135 | 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 | 185501 | 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 | 185501 | 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 | 185333 | 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 | 185333 | 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 | 108524 | 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 | 108524 | 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 | 220262 | 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 | 220276 | 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 | 220208 | 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 | 74591 | 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 | 74591 | 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 | 112488 | 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 | 112488 | 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 | 199851 | 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 | 199851 | 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 | 200054 | 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 | 200054 | 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 | 80096 | 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 | 80096 | 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 | 101825 | 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 | 101825 | 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 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 1518 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 1521 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 24868177 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 44288922 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 77068007 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 90479759 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| CHEMBL438945 | 9583 | 8 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
| 44139601 | 200028 | 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 | 200028 | 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 | 80090 | 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 | 80090 | 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 | 220316 | 15 | 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 | 80263 | 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 | 80263 | 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 | 193927 | 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 | 193927 | 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 | 101825 | 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 | 101825 | 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 | 193816 | 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 | 193816 | 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 | 193921 | 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 | 193921 | 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 | 205663 | 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 | 205663 | 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 | 69479 | 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 | 69479 | 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 | 199904 | 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 | 199904 | 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 | 102203 | 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 | 102203 | 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 | 69569 | 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 | 69569 | 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 | 69570 | 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 | 69570 | 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 | 102352 | 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 | 102352 | 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 | 59054 | 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 | 59054 | 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 | 69566 | 1 | 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 | 69566 | 1 | 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 | 220633 | 13 | 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 | 196170 | 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 | 196170 | 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 | 162352 | 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 | 162352 | 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 | 220262 | 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 | 220276 | 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 | 72136 | 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 | 72136 | 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 | 220208 | 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 | 107761 | 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 | 107761 | 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 | 21321 | 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 | 21321 | 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 | 72141 | 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 | 72141 | 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 | 116929 | 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 | 116929 | 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 | 72137 | 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 | 72137 | 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 | 179081 | 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 | 179081 | 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 | 208534 | 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 | 208534 | 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 | 185553 | 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 | 185553 | 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 | 80259 | 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 | 80259 | 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 | 145985 | 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 | 145985 | 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 | 145985 | 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 | 145985 | 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 | 182429 | 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 | 182429 | 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 | 72140 | 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 | 72140 | 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 | 120564 | 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 | 120564 | 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 | 108125 | 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 | 108125 | 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 | 80270 | 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 | 80270 | 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 | 168477 | 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 | 168477 | 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 | 168477 | 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 | 185308 | 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 | 185308 | 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 | 74778 | 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 | 74778 | 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 | 220309 | 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 | 171647 | 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 | 171647 | 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 | 220309 | 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 | 74771 | 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 | 74771 | 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 | 220209 | 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 | 220209 | 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 | 197848 | 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 | 197848 | 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 | 61706 | 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 | 61706 | 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 | 21234 | 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 | 21234 | 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 | 72133 | 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 | 72133 | 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 | 162333 | 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 | 162333 | 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 | 74777 | 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 | 74777 | 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 | 69481 | 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 | 69481 | 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 | 108801 | 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 | 108801 | 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 | 145994 | 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 | 145994 | 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 | 145994 | 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 | 196250 | 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 | 196250 | 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 | 74592 | 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 | 74592 | 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 | 112490 | 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 | 112490 | 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 | 199970 | 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 | 199970 | 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 | 199473 | 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 | 199473 | 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 | 220292 | 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 | 220292 | 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 | 193922 | 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 | 193922 | 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 | 173850 | 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 | 173850 | 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 | 174199 | 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 | 174199 | 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 | 74785 | 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 | 74785 | 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 | 108782 | 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 | 108782 | 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 | 69563 | 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 | 69563 | 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 | 72149 | 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 | 72149 | 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 | 102353 | 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 | 102353 | 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 | 23072 | 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 | 23072 | 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 | 72145 | 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 | 72145 | 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 | 80080 | 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 | 80080 | 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 | 171647 | 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 | 171647 | 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 | 69568 | 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 | 69568 | 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 | 193891 | 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 | 193891 | 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 | 74589 | 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 | 74589 | 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 | 69564 | 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 | 69564 | 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 | 72149 | 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 | 72149 | 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 | 220269 | 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 | 21329 | 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 | 21329 | 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 | 193833 | 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 | 193833 | 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 | 21425 | 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 | 21425 | 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 | 80271 | 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 | 80271 | 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 | 101941 | 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 | 101941 | 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 | 74781 | 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 | 74781 | 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 | 220283 | 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 | 104838 | 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 | 104838 | 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 | 164444 | 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 | 164444 | 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 | 220303 | 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 | 65996 | 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 | 65996 | 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 | 220283 | 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 | 168770 | 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 | 168770 | 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 | 220303 | 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 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 60610 | 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 | 60610 | 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 | 74590 | 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 | 74590 | 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 | 21337 | 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 | 21337 | 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 | 118144 | 85 | 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 | 118144 | 85 | 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 | 185478 | 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 | 185478 | 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 | 196146 | 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 | 196146 | 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 | 189087 | 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 | 189087 | 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 | 162364 | 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 | 162364 | 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 | 69484 | 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 | 69484 | 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 | 185419 | 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 | 185419 | 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 | 185601 | 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 | 185601 | 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 | 74775 | 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 | 74775 | 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 | 117404 | 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 | 117404 | 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 | 72157 | 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 | 72157 | 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 | 74597 | 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 | 74597 | 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 | 170013 | 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 | 170013 | 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 | 109401 | 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 | 109401 | 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 | 220183 | 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 | 220220 | 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 | 220274 | 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 | 21642 | 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 | 21642 | 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 | 220269 | 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 | 112492 | 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 | 112492 | 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 | 80081 | 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 | 80081 | 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 | 193670 | 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 | 193670 | 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 | 69561 | 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 | 69561 | 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 | 193819 | 1 | 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 | 193819 | 1 | 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 | 72158 | 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 | 72158 | 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 | 80268 | 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 | 80268 | 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 | 107768 | 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 | 107768 | 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 | 69567 | 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 | 69567 | 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 | 21458 | 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 | 21458 | 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 | 120602 | 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 | 120602 | 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 | 120701 | 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 | 120701 | 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 | 220183 | 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 | 220220 | 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 | 220274 | 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 | 181042 | 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 | 181042 | 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 | 101865 | 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 | 101865 | 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 | 169578 | 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 | 169578 | 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 | 112498 | 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 | 112498 | 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 | 185602 | 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 | 185602 | 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 | 108505 | 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 | 108505 | 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 | 193650 | 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 | 193650 | 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 | 69478 | 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 | 69478 | 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 | 72134 | 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 | 72134 | 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 | 108057 | 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 | 108057 | 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 | 107492 | 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 | 107492 | 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 | 74774 | 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 | 74774 | 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 | 74769 | 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 | 74769 | 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 | 57481 | 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 | 57481 | 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 | 194978 | 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 | 194978 | 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 | 180405 | 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 | 180405 | 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 | 219845 | 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 | 17245 | 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 | 17245 | 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 | 104384 | 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 | 104384 | 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 | 74770 | 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 | 74770 | 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 | 80223 | 47 | 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 | 80223 | 47 | 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 | 69565 | 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 | 69565 | 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 | 112486 | 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 | 112486 | 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 | 112493 | 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 | 112493 | 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 | 112494 | 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 | 112494 | 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 | 193668 | 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 | 193668 | 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 | 80093 | 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 | 80093 | 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 | 200037 | 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 | 200037 | 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 | 102258 | 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 | 102258 | 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 | 220211 | 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 | 220211 | 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 | 102111 | 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 | 102111 | 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 | 74423 | 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 | 74423 | 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 | 74593 | 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 | 74593 | 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 | 220145 | 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 | 220170 | 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 | 220145 | 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 | 220170 | 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 | 103635 | 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 | 103635 | 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 | 220270 | 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 | 74587 | 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 | 74587 | 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 | 102418 | 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 | 102418 | 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 | 161988 | 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 | 161988 | 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 | 21323 | 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 | 21323 | 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 | 74767 | 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 | 74767 | 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 | 182217 | 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 | 182217 | 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 | 171804 | 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 | 171804 | 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 | 162118 | 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 | 162118 | 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 | 175235 | 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 | 175235 | 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 | 188425 | 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 | 188425 | 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 | 12788 | 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 | 12788 | 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 | 112487 | 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 | 112487 | 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 | 102303 | 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 | 102303 | 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 | 69571 | 1 | 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 | 69571 | 1 | 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 | 69482 | 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 | 69482 | 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 | 72139 | 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 | 72139 | 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 | 74600 | 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 | 74600 | 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 | 72154 | 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 | 72154 | 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 | 69477 | 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 | 69477 | 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 | 217252 | 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 | 59206 | 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 | 59206 | 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 | 217832 | 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 | 220172 | 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 | 220192 | 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 | 69925 | 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 | 69925 | 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 | 69925 | 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 | 220172 | 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 | 220192 | 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 | 219644 | 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 | 121271 | 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 | 121271 | 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 | 112491 | 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 | 112491 | 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 | 69559 | 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 | 69559 | 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 | 171647 | 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 | 171647 | 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 | 69476 | 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 | 69476 | 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 | 161839 | 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 | 161839 | 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 | 74594 | 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 | 74594 | 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 | 185449 | 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 | 185449 | 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 | 179968 | 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 | 179968 | 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 | 179968 | 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 | 220586 | 16 | 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 | 112501 | 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 | 112501 | 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 | 193560 | 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 | 193560 | 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 | 195723 | 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 | 195723 | 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 | 199971 | 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 | 199971 | 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 | 86420 | 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 | 86420 | 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 | 74764 | 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 | 74764 | 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 | 74598 | 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 | 74598 | 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 | 166261 | 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 | 166261 | 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 | 166261 | 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 | 220154 | 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 | 220154 | 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 | 220246 | 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 | 220284 | 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 | 220310 | 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 | 220246 | 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 | 220284 | 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 | 220310 | 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 | 104402 | 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 | 104402 | 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 | 74779 | 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 | 74779 | 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 | 209341 | 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 | 209341 | 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 | 117408 | 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 | 117408 | 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 | 80262 | 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 | 80262 | 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 | 112489 | 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 | 112489 | 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 | 112500 | 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 | 112500 | 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 | 108541 | 6 | 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 | 108541 | 6 | 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 | 108541 | 6 | 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 | 107362 | 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 | 107362 | 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 | 72143 | 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 | 72143 | 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 | 69572 | 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 | 69572 | 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 | 69480 | 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 | 69480 | 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 | 69483 | 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 | 69483 | 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 | 193820 | 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 | 193820 | 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 | 104839 | 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 | 104839 | 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 | 80094 | 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 | 80094 | 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 | 74772 | 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 | 74772 | 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 | 58883 | 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 | 58883 | 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 | 74595 | 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 | 74595 | 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 | 185579 | 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 | 185579 | 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 | 104401 | 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 | 104401 | 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 | 80267 | 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 | 80267 | 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 | 195968 | 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 | 195968 | 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 | 80260 | 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 | 80260 | 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 | 72153 | 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 | 72153 | 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 | 162131 | 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 | 162131 | 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 | 112495 | 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 | 112495 | 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 | 112499 | 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 | 112499 | 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 | 72156 | 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 | 72156 | 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 | 60959 | 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 | 60959 | 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 | 107848 | 3 | 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 | 107848 | 3 | 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 | 185552 | 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 | 185552 | 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 | 200036 | 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 | 200036 | 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 | 72142 | 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 | 72142 | 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 | 222835 | 0 | 125I-hPP | -295 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 126455957 | 222833 | 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 | 222837 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 222835 | 0 | 3H-Propionyl-NPY | -1318 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| 21129772 | 176203 | 4 | 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 | 176203 | 4 | 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 | 176203 | 4 | 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 | 176203 | 4 | 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 | 176203 | 4 | 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 | 176203 | 4 | 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 | 222835 | 0 | 125I-PYY | -331131 | 13 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 223014 | 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 | 223207 | 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 | 222835 | 0 | 125I-PYY | -1318 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 222837 | 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 | 222835 | 0 | 125I-PYY | -295 | 13 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
| None | 222837 | 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 | 220199 | 6 | 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 | 220199 | 6 | 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 | 222837 | 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 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 9084 | 0 | None | -25 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1549 | 9663 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1549 | 9663 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817422 | 9663 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817422 | 9663 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1504 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1518 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1521 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 24868177 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44288922 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 77068007 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 90479759 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL438945 | 9583 | 8 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1504 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1518 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1521 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 24868177 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44288922 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 77068007 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 90479759 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL438945 | 9583 | 8 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1557 | 9660 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44328226 | 9660 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL439478 | 9660 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1529 | 8632 | 0 | None | -31622 | 5 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1513 | 9774 | 0 | None | -19952 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1513 | 9774 | 0 | None | -15848 | 6 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1557 | 9660 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44328226 | 9660 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL439478 | 9660 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1516 | 10016 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1516 | 10016 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 57339564 | 10016 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 57339564 | 10016 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91898411 | 10016 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91898411 | 10016 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1507 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44351001 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91929182 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL265849 | 9658 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1565 | 8988 | 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 | 8988 | 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 | 8988 | 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 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 44351001 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 91929182 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL265849 | 9658 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1510 | 9666 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817418 | 9666 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 16142730 | 9666 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1512 | 9777 | 0 | None | -501 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1554 | 10018 | 0 | None | -2 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1544 | 8282 | 0 | None | -1 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1544 | 8282 | 0 | None | 1 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1564 | 8893 | 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 | 8893 | 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 | 7123 | 0 | None | - | 1 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1554 | 10018 | 0 | None | 2 | 3 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1527 | 9084 | 0 | None | -31 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1510 | 9666 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 155817418 | 9666 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 16142730 | 9666 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1561 | 9929 | 0 | None | - | 1 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1512 | 9777 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1512 | 9777 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1515 | 9826 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL269503 | 9826 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1524 | 9083 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
| 1524 | 9083 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1515 | 9826 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| CHEMBL269503 | 9826 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1524 | 9083 | 0 | None | 1 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
| 1562 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | 7686 | 13 | 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 | ||