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 | 211672 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
56841989 | 211672 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -3 | 6 | Human | 8.8 | pEC50 | = | 8.8 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4288294 | 211730 | 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 | 209280 | 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 | 182990 | 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 | 182990 | 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 | 211627 | 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 | 211747 | 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 | 211627 | 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 | 211747 | 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 | 209276 | 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 | 209275 | 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 | 211702 | 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 | 211702 | 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 | 207469 | 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 | 211658 | 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 | 211658 | 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 | 209274 | 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 | 211625 | 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 | 3725 | 37 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
16033 | 3725 | 37 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
CHEMBL3559801 | 3725 | 37 | None | -79 | 4 | Human | 8.5 | pEC50 | = | 8.5 | Functional | ChEMBL | 248 | 2 | 1 | 2 | 3.7 | CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2O | 10.1021/acs.jmedchem.7b00976 | ||
CHEMBL4277590 | 211625 | 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 | 211653 | 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 | 209277 | 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 | 211783 | 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 | 211653 | 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 | 211783 | 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 | 212106 | 12 | None | -72 | 4 | Human | 6.4 | pEC50 | = | 6.4 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.0c00740 | ||||
CHEMBL3099724 | 209277 | 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 | 211620 | 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 | 211716 | 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 | 211620 | 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 | 211716 | 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 | 211709 | 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 | 211782 | 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 | 211709 | 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 | 211782 | 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 | 211665 | 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 | 211665 | 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 | 211642 | 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 | 211642 | 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 | 211789 | 12 | None | -29 | 2 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | ||||
CHEMBL4279794 | 211651 | 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 | 211765 | 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 | 211651 | 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 | 211765 | 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 | 211681 | 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 | 211689 | 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 | 211681 | 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 | 211689 | 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 | 212106 | 12 | None | -72 | 4 | Human | 8.1 | pEC50 | = | 8.1 | Functional | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1021/ml400335g | ||||
22253974 | 65646 | 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 | 65646 | 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 | 97705 | 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 | 97705 | 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 | 65641 | 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 | 65641 | 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 | 64256 | 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 | 64256 | 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 | 188371 | 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 | 188371 | 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 | 198360 | 31 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
CHEMBL595573 | 198360 | 31 | None | 1 | 2 | Human | 8.9 | pIC50 | = | 8.9 | Functional | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2010.09.064 | ||
9887852 | 65644 | 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 | 65644 | 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 | 183622 | 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 | 183622 | 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 | 187273 | 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 | 187273 | 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 | 187438 | 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 | 187438 | 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 | 65639 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 65639 | 24 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
20651581 | 65648 | 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 | 65648 | 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 | 65637 | 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 | 65637 | 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 | 70896 | 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 | 70896 | 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 | 59638 | 2 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17326 | 59638 | 2 | None | - | 1 | Human | 7.0 | pIC50 | = | 7 | Functional | ChEMBL | 346 | 4 | 2 | 4 | 5.8 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
57391285 | 70923 | 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 | 70923 | 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 | 70921 | 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 | 70921 | 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 | 177954 | 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 | 177954 | 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 | 110099 | 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 | 110099 | 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 | 62918 | 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 | 62918 | 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 | 178244 | 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 | 178244 | 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 | 164316 | 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 | 164316 | 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 | 70919 | 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 | 70919 | 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 | 70897 | 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 | 70897 | 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 | 70894 | 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 | 70894 | 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 | 62467 | 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 | 62467 | 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 | 70902 | 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 | 70902 | 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 | 98129 | 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 | 98129 | 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 | 70914 | 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 | 70914 | 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 | 186495 | 7 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
CHEMBL491288 | 186495 | 7 | None | - | 1 | Human | 8.7 | pIC50 | = | 8.7 | Functional | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
44271549 | 60724 | 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 | 60724 | 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 | 70917 | 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 | 70917 | 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 | 186457 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
CHEMBL490937 | 186457 | 0 | None | - | 1 | Human | 8.6 | pIC50 | = | 8.6 | Functional | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
44271565 | 97679 | 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 | 97679 | 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 | 98394 | 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 | 98394 | 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 | 886 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
5312114 | 886 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17645 | 886 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL195380 | 886 | 8 | None | -1 | 7 | Human | 8.5 | pIC50 | = | 8.5 | Functional | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
2350190 | 51580 | 7 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1585484 | 51580 | 7 | None | - | 1 | Mouse | 7.7 | pIC50 | = | 7.7 | Functional | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.01.027 | ||
44271517 | 58727 | 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 | 58727 | 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 | 166581 | 2 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL429053 | 166581 | 2 | None | - | 1 | Human | 6.7 | pIC50 | = | 6.7 | Functional | ChEMBL | 326 | 4 | 2 | 4 | 5.4 | Cc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
57391274 | 70900 | 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 | 70900 | 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 | 70911 | 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 | 70911 | 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 | 59972 | 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 | 59972 | 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 | 59431 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17247 | 59431 | 2 | None | - | 1 | Human | 6.6 | pIC50 | = | 6.6 | Functional | ChEMBL | 380 | 4 | 2 | 4 | 6.4 | Clc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1Cl | 10.1016/s0960-894x(00)00177-3 | ||
9955360 | 98102 | 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 | 98102 | 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 | 164316 | 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 | 164316 | 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 | 98367 | 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 | 98367 | 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 | 65638 | 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 | 65638 | 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 | 65654 | 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 | 65654 | 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 | 65640 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836318 | 65640 | 0 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
25346026 | 70898 | 4 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1956846 | 70898 | 4 | None | - | 1 | Mouse | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 386 | 5 | 1 | 6 | 4.3 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(OC(F)(F)F)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
57399997 | 70910 | 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 | 70910 | 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 | 98434 | 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 | 98434 | 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 | 70895 | 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 | 70895 | 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 | 59699 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17352 | 59699 | 2 | None | - | 1 | Human | 7.5 | pIC50 | = | 7.5 | Functional | ChEMBL | 342 | 5 | 2 | 5 | 5.1 | COc1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271550 | 61041 | 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 | 61041 | 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 | 188415 | 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 | 188415 | 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 | 65621 | 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 | 65621 | 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 | 70916 | 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 | 70916 | 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 | 110063 | 36 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
CHEMBL325226 | 110063 | 36 | None | - | 1 | Human | 7.4 | pIC50 | = | 7.4 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
44271486 | 162673 | 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 | 162673 | 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 | 58781 | 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 | 58781 | 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 | 59869 | 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 | 59869 | 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 | 60117 | 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 | 60117 | 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 | 98465 | 4 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL279408 | 98465 | 4 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Functional | ChEMBL | 383 | 7 | 2 | 5 | 6.0 | CCN(CC)c1ccc(Nc2nc(Nc3ccccc3)c3ccccc3n2)cc1 | 10.1016/s0960-894x(00)00177-3 | ||
44271638 | 60083 | 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 | 60083 | 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 | 65636 | 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 | 65636 | 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 | 59299 | 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 | 59299 | 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 | 178066 | 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 | 178066 | 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 | 61060 | 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 | 61060 | 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 | 70915 | 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 | 70915 | 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 | 98237 | 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 | 98237 | 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 | 65645 | 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 | 65645 | 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 | 186388 | 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 | 186388 | 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 | 62929 | 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 | 62929 | 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 | 43472 | 7 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1510429 | 43472 | 7 | None | - | 1 | Mouse | 7.3 | pIC50 | = | 7.3 | Functional | ChEMBL | 346 | 6 | 1 | 6 | 3.8 | CCOc1ccc(Nc2nc3cc(S(=O)(=O)CC)ccc3o2)cc1 | 10.1016/j.bmcl.2012.01.027 | ||
44271482 | 59953 | 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 | 59953 | 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 | 60031 | 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 | 60031 | 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 | 70918 | 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 | 70918 | 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 | 178237 | 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 | 178237 | 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 | 59805 | 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 | 59805 | 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 | 98099 | 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 | 98099 | 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 | 110063 | 36 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
CHEMBL325226 | 110063 | 36 | None | - | 1 | Human | 8.2 | pIC50 | = | 8.2 | Functional | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
9887225 | 186565 | 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 | 186565 | 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 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 188881 | 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 | 188881 | 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 | 187417 | 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 | 187417 | 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 | 70913 | 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 | 70913 | 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 | 70924 | 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 | 70924 | 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 | 192491 | 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 | 192491 | 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 | 192048 | 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 | 192048 | 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 | 70901 | 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 | 70901 | 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 | 98013 | 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 | 98013 | 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 | 70920 | 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 | 70920 | 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 | 50739 | 6 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
CHEMBL1578465 | 50739 | 6 | None | - | 1 | Mouse | 6.1 | pIC50 | = | 6.1 | Functional | ChEMBL | 358 | 4 | 1 | 5 | 4.7 | CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)(C)C)cc3)nc2c1 | 10.1016/j.bmcl.2012.01.027 | ||
24950714 | 178122 | 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 | 178122 | 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 | 70922 | 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 | 70922 | 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 | 62466 | 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 | 62466 | 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 | 65647 | 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 | 65647 | 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 | 60065 | 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 | 60065 | 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 | 178064 | 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 | 178064 | 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 | 188778 | 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 | 188778 | 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 | 70899 | 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 | 70899 | 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 | 65643 | 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 | 65643 | 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 | 188802 | 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 | 188802 | 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 | 65642 | 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 | 65642 | 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 | 70912 | 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 | 70912 | 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 | 17363 | 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 | 17363 | 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 | 17398 | 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 | 17398 | 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 | 17429 | 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 | 17429 | 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 | 17362 | 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 | 17362 | 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 | 17460 | 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 | 17460 | 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 | 17607 | 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 | 17607 | 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 | 17397 | 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 | 17397 | 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 | 17259 | 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 | 17259 | 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 | 17459 | 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 | 17459 | 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 | 17497 | 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 | 17497 | 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 | 17570 | 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 | 17570 | 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 | 17260 | 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 | 17260 | 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 | 17297 | 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 | 17297 | 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 | 17298 | 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 | 17298 | 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 | 17569 | 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 | 17569 | 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 | 18908 | 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 | 18908 | 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 | 17498 | 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 | 17498 | 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 | 17534 | 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 | 17534 | 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 | 18907 | 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 | 18907 | 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 | 17608 | 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 | 17608 | 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 | 17428 | 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 | 17428 | 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 | 17640 | 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 | 17640 | 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 | 18922 | 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 | 18922 | 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 | 18942 | 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 | 18942 | 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 | 19031 | 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 | 19031 | 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 | 14840 | 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 | 14840 | 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 | 18973 | 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 | 18973 | 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 | 17222 | 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 | 17222 | 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 | 14843 | 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 | 14843 | 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 | 14884 | 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 | 14884 | 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 | 18923 | 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 | 18923 | 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 | 19006 | 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 | 19006 | 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 | 19032 | 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 | 19032 | 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 | 14841 | 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 | 14841 | 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 | 14854 | 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 | 14854 | 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 | 65646 | 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 | 65646 | 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 | 65644 | 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 | 65644 | 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 | 17332 | 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 | 17332 | 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 | 14822 | 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 | 14822 | 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 | 14829 | 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 | 14829 | 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 | 14830 | 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 | 14830 | 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 | 65651 | 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 | 65651 | 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 | 65653 | 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 | 65653 | 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 | 14885 | 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 | 14885 | 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 | 18888 | 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 | 18888 | 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 | 18958 | 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 | 18958 | 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 | 18990 | 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 | 18990 | 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 | 65641 | 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 | 65641 | 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 | 65639 | 24 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 65639 | 24 | None | - | 1 | Rat | 8.9 | pKi | = | 8.9 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
22254068 | 65639 | 24 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836317 | 65639 | 24 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Functional | ChEMBL | 423 | 5 | 2 | 6 | 4.0 | CS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
44159706 | 17535 | 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 | 17535 | 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 | 14823 | 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 | 14823 | 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 | 14867 | 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 | 14867 | 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 | 19142 | 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 | 19142 | 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 | 65652 | 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 | 65652 | 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 | 65638 | 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 | 65638 | 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 | 17114 | 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 | 17114 | 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 | 17114 | 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 | 17114 | 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 | 14865 | 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 | 14865 | 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 | 102465 | 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 | 102465 | 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 | 14820 | 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 | 14820 | 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 | 65636 | 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 | 65636 | 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 | 14886 | 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 | 14886 | 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 | 14886 | 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 | 14886 | 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 | 65654 | 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 | 65654 | 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 | 101294 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL1435188 | 101294 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL299879 | 101294 | 4 | None | - | 1 | Rat | 7.8 | pKi | = | 7.8 | Functional | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
25071930 | 18889 | 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 | 18889 | 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 | 19005 | 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 | 19005 | 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 | 65649 | 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 | 65649 | 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 | 14819 | 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 | 14819 | 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 | 14821 | 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 | 14821 | 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 | 18957 | 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 | 18957 | 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 | 65640 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
CHEMBL1836318 | 65640 | 0 | None | - | 1 | Human | 8.6 | pKi | = | 8.6 | Functional | ChEMBL | 437 | 6 | 2 | 6 | 4.4 | CCS(=O)(=O)NC[C@H]1CC[C@H](Nc2nc3c(s2)CCSc2ccccc2-3)CC1 | 10.1016/j.bmcl.2011.06.124 | ||
22254003 | 65637 | 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 | 65637 | 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 | 203388 | 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 | 203388 | 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 | 18991 | 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 | 18991 | 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 | 14813 | 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 | 14813 | 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 | 65647 | 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 | 65647 | 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 | 65648 | 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 | 65648 | 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 | 14866 | 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 | 14866 | 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 | 14868 | 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 | 14868 | 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 | 19017 | 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 | 19017 | 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 | 14864 | 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 | 14864 | 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 | 19143 | 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 | 19143 | 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 | 65621 | 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 | 65621 | 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 | 65642 | 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 | 65642 | 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 | 162787 | 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 | 162787 | 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 | 17333 | 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 | 17333 | 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 | 14828 | 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 | 14828 | 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 | 14853 | 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 | 14853 | 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 | 14856 | 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 | 14856 | 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 | 18943 | 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 | 18943 | 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 | 19016 | 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 | 19016 | 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 | 67477 | 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 | 67477 | 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 | 14799 | 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 | 14799 | 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 | 203459 | 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 | 203459 | 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 | 14842 | 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 | 14842 | 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 | 65650 | 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 | 65650 | 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 | 65643 | 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 | 65643 | 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 | 14855 | 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 | 14855 | 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 | 19047 | 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 | 19047 | 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 | 18974 | 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 | 18974 | 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 | 65645 | 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 | 65645 | 0 | None | - | 1 | Human | 8.1 | pKi | = | 8.1 | Functional | ChEMBL | 397 | 8 | 2 | 6 | 3.6 | CS(=O)(=O)NCCCCCNc1nc2c(s1)CCSc1ccccc1-2 | 10.1016/j.bmcl.2011.06.124 | ||
1522 | 333 | 0 | None | 1 | 5 | Human | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
1522 | 333 | 0 | None | -1 | 5 | Rat | 8.2 | pIC50 | = | 8.2 | Functional | Guide to Pharmacology | None | None | None | None | 12069595 | ||||
11589975 | 1644 | 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 | 1644 | 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 | 211672 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
56841989 | 211672 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -17 | 7 | Mouse | 9.3 | pEC50 | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4280392 | 211658 | 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 | 211689 | 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 | 211620 | 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 | 211620 | 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 | 211658 | 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 | 211689 | 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 | 211765 | 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 | 211765 | 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 | 211719 | 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 | 211747 | 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 | 211719 | 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 | 211747 | 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 | 127960 | 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 | 127960 | 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 | 76549 | 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 | 76549 | 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 | 76552 | 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 | 76552 | 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 | 127963 | 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 | 127963 | 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 | 118473 | 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 | 118473 | 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 | 127958 | 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 | 127958 | 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 | 186621 | 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 | 186621 | 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 | 76448 | 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 | 76448 | 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 | 80936 | 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 | 80936 | 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 | 127957 | 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 | 127957 | 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 | 127962 | 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 | 127962 | 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 | 127964 | 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 | 127964 | 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 | 98011 | 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 | 98011 | 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 | 124922 | 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 | 124922 | 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 | 80934 | 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 | 80934 | 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 | 76562 | 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 | 76562 | 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 | 80927 | 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 | 80927 | 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 | 25385 | 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 | 25385 | 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 | 29173 | 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 | 29173 | 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 | 118777 | 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 | 118777 | 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 | 76558 | 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 | 76558 | 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 | 127955 | 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 | 127955 | 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 | 127956 | 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 | 127956 | 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 | 28007 | 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 | 28007 | 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 | 170238 | 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 | 170238 | 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 | 124932 | 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 | 124932 | 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 | 76541 | 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 | 76541 | 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 | 80931 | 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 | 80931 | 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 | 80931 | 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 | 80931 | 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 | 76538 | 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 | 76538 | 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 | 201099 | 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 | 201099 | 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 | 201099 | 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 | 201099 | 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 | 28099 | 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 | 28099 | 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 | 118708 | 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 | 118708 | 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 | 127971 | 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 | 127971 | 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 | 203437 | 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 | 203437 | 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 | 76548 | 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 | 76548 | 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 | 57846 | 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 | 57846 | 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 | 76556 | 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 | 76556 | 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 | 123883 | 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 | 123883 | 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 | 187097 | 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 | 187097 | 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 | 187097 | 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 | 187097 | 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 | 124934 | 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 | 124934 | 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 | 58821 | 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 | 58821 | 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 | 59640 | 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 | 59640 | 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 | 80925 | 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 | 80925 | 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 | 127975 | 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 | 127975 | 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 | 195923 | 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 | 195923 | 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 | 127979 | 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 | 127979 | 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 | 124921 | 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 | 124921 | 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 | 192460 | 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 | 192460 | 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 | 124931 | 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 | 124931 | 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 | 196535 | 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 | 196535 | 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 | 124933 | 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 | 124933 | 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 | 192698 | 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 | 192698 | 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 | 27589 | 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 | 27589 | 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 | 118059 | 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 | 118059 | 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 | 127969 | 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 | 127969 | 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 | 57269 | 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 | 57269 | 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 | 58821 | 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 | 58821 | 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 | 124919 | 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 | 124919 | 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 | 168771 | 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 | 168771 | 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 | 98075 | 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 | 98075 | 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 | 80935 | 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 | 80935 | 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 | 127967 | 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 | 127967 | 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 | 127972 | 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 | 127972 | 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 | 80940 | 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 | 80940 | 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 | 127957 | 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 | 127957 | 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 | 192485 | 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 | 192485 | 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 | 192485 | 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 | 192485 | 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 | 192821 | 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 | 192821 | 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 | 187164 | 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 | 187164 | 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 | 187460 | 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 | 187460 | 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 | 186651 | 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 | 186651 | 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 | 80939 | 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 | 80939 | 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 | 66819 | 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 | 66819 | 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 | 98451 | 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 | 98451 | 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 | 127962 | 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 | 127962 | 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 | 127961 | 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 | 127961 | 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 | 192637 | 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 | 192637 | 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 | 192637 | 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 | 192637 | 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 | 198044 | 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 | 198044 | 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 | 60228 | 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 | 60228 | 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 | 127965 | 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 | 127965 | 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 | 127968 | 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 | 127968 | 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 | 168819 | 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 | 168819 | 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 | 192008 | 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 | 192008 | 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 | 198387 | 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 | 198387 | 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 | 186986 | 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 | 186986 | 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 | 186986 | 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 | 186986 | 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 | 187107 | 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 | 187107 | 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 | 187107 | 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 | 187107 | 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 | 192006 | 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 | 192006 | 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 | 202345 | 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 | 202345 | 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 | 13929 | 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 | 13929 | 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 | 110100 | 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 | 110100 | 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 | 187455 | 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 | 187455 | 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 | 203946 | 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 | 203946 | 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 | 119422 | 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 | 119422 | 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 | 112816 | 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 | 112816 | 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 | 124526 | 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 | 124526 | 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 | 80942 | 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 | 80942 | 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 | 127976 | 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 | 127976 | 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 | 80938 | 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 | 80938 | 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 | 114922 | 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 | 114922 | 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 | 124930 | 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 | 124930 | 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 | 187172 | 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 | 187172 | 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 | 187259 | 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 | 187259 | 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 | 192556 | 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 | 192556 | 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 | 98081 | 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 | 98081 | 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 | 26119 | 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 | 26119 | 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 | 187325 | 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 | 187325 | 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 | 200144 | 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 | 200144 | 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 | 192590 | 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 | 192590 | 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 | 57818 | 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 | 57818 | 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 | 98081 | 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 | 98081 | 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 | 196705 | 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 | 196705 | 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 | 192852 | 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 | 192852 | 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 | 198286 | 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 | 198286 | 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 | 198360 | 31 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
CHEMBL595573 | 198360 | 31 | None | - | 1 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
12108783 | 192691 | 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 | 192691 | 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 | 192698 | 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 | 192698 | 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 | 886 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
5312114 | 886 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL17645 | 886 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
CHEMBL195380 | 886 | 8 | None | - | 2 | Human | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2005.03.052 | ||
44271289 | 168623 | 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 | 168623 | 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 | 80932 | 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 | 80932 | 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 | 127959 | 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 | 127959 | 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 | 196376 | 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 | 196376 | 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 | 886 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
5312114 | 886 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17645 | 886 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL195380 | 886 | 8 | None | 2 | 2 | Rat | 8.9 | pIC50 | = | 8.9 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
9908945 | 192460 | 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 | 192460 | 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 | 192712 | 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 | 192712 | 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 | 57783 | 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 | 57783 | 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 | 60090 | 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 | 60090 | 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 | 60228 | 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 | 60228 | 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 | 80937 | 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 | 80937 | 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 | 127970 | 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 | 127970 | 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 | 124926 | 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 | 124926 | 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 | 124927 | 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 | 124927 | 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 | 195405 | 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 | 195405 | 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 | 197235 | 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 | 197235 | 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 | 198103 | 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 | 198103 | 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 | 192453 | 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 | 192453 | 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 | 98451 | 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 | 98451 | 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 | 124913 | 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 | 124913 | 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 | 183622 | 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 | 183622 | 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 | 68555 | 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 | 68555 | 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 | 125277 | 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 | 125277 | 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 | 127980 | 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 | 127980 | 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 | 116230 | 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 | 116230 | 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 | 96508 | 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 | 96508 | 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 | 187288 | 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 | 187288 | 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 | 186486 | 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 | 186486 | 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 | 186565 | 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 | 186565 | 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 | 186565 | 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 | 186565 | 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 | 198138 | 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 | 198138 | 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 | 98330 | 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 | 98330 | 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 | 27818 | 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 | 27818 | 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 | 124924 | 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 | 124924 | 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 | 124929 | 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 | 124929 | 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 | 187272 | 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 | 187272 | 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 | 196346 | 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 | 196346 | 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 | 195383 | 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 | 195383 | 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 | 195412 | 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 | 195412 | 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 | 195964 | 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 | 195964 | 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 | 197290 | 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 | 197290 | 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 | 197301 | 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 | 197301 | 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 | 187171 | 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 | 187171 | 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 | 187290 | 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 | 187290 | 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 | 195412 | 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 | 195412 | 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 | 76557 | 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 | 76557 | 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 | 127981 | 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 | 127981 | 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 | 195384 | 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 | 195384 | 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 | 187397 | 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 | 187397 | 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 | 76544 | 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 | 76544 | 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 | 76559 | 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 | 76559 | 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 | 28340 | 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 | 28340 | 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 | 187384 | 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 | 187384 | 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 | 187439 | 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 | 187439 | 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 | 102938 | 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 | 102938 | 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 | 102937 | 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 | 102937 | 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 | 192473 | 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 | 192473 | 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 | 10909 | 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 | 10909 | 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 | 102968 | 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 | 102968 | 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 | 59340 | 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 | 59340 | 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 | 28036 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
CHEMBL137404 | 28036 | 3 | None | - | 0 | Human | 7.0 | pIC50 | = | 7 | Binding | ChEMBL | 294 | 2 | 1 | 4 | 2.8 | Cc1nc(N2CCOCC2)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
10664487 | 30461 | 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 | 30461 | 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 | 203152 | 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 | 203152 | 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 | 203988 | 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 | 203988 | 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 | 12778 | 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 | 12778 | 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 | 12778 | 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 | 97984 | 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 | 97984 | 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 | 57840 | 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 | 57840 | 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 | 183616 | 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 | 183616 | 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 | 186290 | 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 | 186290 | 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 | 161143 | 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 | 161143 | 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 | 192306 | 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 | 192306 | 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 | 12880 | 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 | 12880 | 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 | 12880 | 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 | 26078 | 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 | 26078 | 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 | 196775 | 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 | 196775 | 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 | 57802 | 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 | 57802 | 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 | 102948 | 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 | 102948 | 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 | 102954 | 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 | 102954 | 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 | 168849 | 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 | 168849 | 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 | 66598 | 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 | 66598 | 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 | 66798 | 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 | 66798 | 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 | 13028 | 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 | 13028 | 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 | 13028 | 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 | 48163 | 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 | 48163 | 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 | 76545 | 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 | 76545 | 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 | 187576 | 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 | 187576 | 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 | 96809 | 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 | 96809 | 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 | 201846 | 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 | 201846 | 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 | 28316 | 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 | 28316 | 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 | 102441 | 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 | 102441 | 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 | 85748 | 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 | 85748 | 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 | 12709 | 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 | 12709 | 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 | 12709 | 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 | 103015 | 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 | 103015 | 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 | 163544 | 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 | 163544 | 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 | 162022 | 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 | 162022 | 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 | 110123 | 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 | 110123 | 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 | 102975 | 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 | 102975 | 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 | 85733 | 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 | 85733 | 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 | 49997 | 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 | 49997 | 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 | 118292 | 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 | 118292 | 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 | 71010 | 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 | 71010 | 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 | 64012 | 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 | 64012 | 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 | 116176 | 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 | 116176 | 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 | 167244 | 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 | 167244 | 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 | 203278 | 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 | 203278 | 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 | 203459 | 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 | 203459 | 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 | 96618 | 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 | 96618 | 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 | 96915 | 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 | 96915 | 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 | 168669 | 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 | 168669 | 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 | 57833 | 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 | 57833 | 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 | 187477 | 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 | 187477 | 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 | 186686 | 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 | 186686 | 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 | 116145 | 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 | 116145 | 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 | 203254 | 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 | 203254 | 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 | 13813 | 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 | 13813 | 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 | 13813 | 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 | 63170 | 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 | 63170 | 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 | 12717 | 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 | 12717 | 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 | 12717 | 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 | 187202 | 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 | 187202 | 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 | 63141 | 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 | 63141 | 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 | 27821 | 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 | 27821 | 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 | 192538 | 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 | 192538 | 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 | 56869 | 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 | 56869 | 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 | 165576 | 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 | 165576 | 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 | 118744 | 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 | 118744 | 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 | 164811 | 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 | 164811 | 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 | 187520 | 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 | 187520 | 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 | 63434 | 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 | 63434 | 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 | 47780 | 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 | 47780 | 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 | 203118 | 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 | 203118 | 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 | 50813 | 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 | 50813 | 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 | 69148 | 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 | 69148 | 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 | 169144 | 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 | 169144 | 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 | 167216 | 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 | 167216 | 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 | 167216 | 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 | 167216 | 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 | 192494 | 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 | 192494 | 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 | 162790 | 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 | 162790 | 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 | 203899 | 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 | 203899 | 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 | 203900 | 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 | 203900 | 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 | 204147 | 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 | 204147 | 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 | 80929 | 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 | 80929 | 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 | 28035 | 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 | 28035 | 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 | 118274 | 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 | 118274 | 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 | 203262 | 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 | 203262 | 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 | 203654 | 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 | 203654 | 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 | 70098 | 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 | 70098 | 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 | 118676 | 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 | 118676 | 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 | 119560 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
CHEMBL350620 | 119560 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00002-1 | ||
10007341 | 119560 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
CHEMBL350620 | 119560 | 1 | None | - | 0 | Human | 7.8 | pIC50 | = | 7.8 | Binding | ChEMBL | 535 | 10 | 2 | 5 | 4.6 | COc1ccc2c(c1)CC(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2 | 10.1016/s0960-894x(02)00018-5 | ||
44289698 | 172512 | 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 | 172512 | 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 | 77952 | 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 | 77952 | 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 | 118717 | 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 | 118717 | 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 | 60035 | 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 | 60035 | 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 | 186886 | 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 | 186886 | 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 | 192064 | 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 | 192064 | 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 | 192531 | 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 | 192531 | 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 | 28416 | 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 | 28416 | 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 | 187185 | 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 | 187185 | 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 | 105342 | 40 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | ||
CHEMBL312711 | 105342 | 40 | None | - | 0 | Human | 5.8 | pIC50 | = | 5.8 | Binding | ChEMBL | 270 | 3 | 1 | 3 | 4.7 | Fc1ccc(-c2csc(Nc3ccccc3)n2)cc1 | 10.1016/j.bmcl.2004.03.014 | ||
44313092 | 167489 | 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 | 167489 | 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 | 203351 | 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 | 203351 | 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 | 102681 | 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 | 102681 | 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 | 62457 | 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 | 62457 | 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 | 28238 | 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 | 28238 | 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 | 192758 | 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 | 192758 | 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 | 192593 | 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 | 192593 | 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 | 203874 | 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 | 203874 | 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 | 203965 | 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 | 203965 | 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 | 168121 | 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 | 168121 | 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 | 125775 | 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 | 125775 | 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 | 98075 | 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 | 98075 | 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 | 80928 | 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 | 80928 | 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 | 12767 | 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 | 12767 | 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 | 12767 | 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 | 118792 | 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 | 118792 | 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 | 100837 | 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 | 100837 | 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 | 47033 | 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 | 47033 | 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 | 102668 | 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 | 102668 | 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 | 26364 | 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 | 26364 | 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 | 203595 | 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 | 203595 | 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 | 204223 | 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 | 204223 | 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 | 186630 | 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 | 186630 | 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 | 203943 | 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 | 203943 | 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 | 64145 | 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 | 64145 | 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 | 192042 | 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 | 192042 | 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 | 105341 | 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 | 105341 | 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 | 102961 | 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 | 102961 | 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 | 64213 | 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 | 64213 | 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 | 51580 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | ||
CHEMBL1585484 | 51580 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.07.020 | ||
2350190 | 51580 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | ||
CHEMBL1585484 | 51580 | 7 | None | - | 0 | Mouse | 7.7 | pIC50 | = | 7.7 | Binding | ChEMBL | 423 | 5 | 1 | 5 | 3.5 | O=S(=O)(c1ccc2[nH]c(SCc3cccc(Cl)c3)nc2c1)N1CCOCC1 | 10.1016/j.bmcl.2012.11.005 | ||
10805667 | 27976 | 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 | 27976 | 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 | 119531 | 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 | 119531 | 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 | 80930 | 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 | 80930 | 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 | 105007 | 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 | 105007 | 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 | 13833 | 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 | 13833 | 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 | 13833 | 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 | 192736 | 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 | 192736 | 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 | 196169 | 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 | 196169 | 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 | 10929 | 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 | 10929 | 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 | 110099 | 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 | 110099 | 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 | 162908 | 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 | 162908 | 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 | 195569 | 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 | 195569 | 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 | 197264 | 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 | 197264 | 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 | 195569 | 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 | 195569 | 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 | 198139 | 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 | 198139 | 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 | 192685 | 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 | 192685 | 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 | 192470 | 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 | 192470 | 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 | 103805 | 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 | 103805 | 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 | 105148 | 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 | 105148 | 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 | 105502 | 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 | 105502 | 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 | 105648 | 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 | 105648 | 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 | 167461 | 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 | 167461 | 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 | 203880 | 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 | 203880 | 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 | 203892 | 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 | 203892 | 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 | 203961 | 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 | 203961 | 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 | 204243 | 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 | 204243 | 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 | 59640 | 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 | 59640 | 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 | 186985 | 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 | 186985 | 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 | 195521 | 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 | 195521 | 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 | 186289 | 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 | 186289 | 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 | 195521 | 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 | 195521 | 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 | 198447 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
CHEMBL596264 | 198447 | 0 | None | - | 0 | Human | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 389 | 3 | 1 | 6 | 3.9 | O=C1O[C@]2(CC[C@H](C(=O)Nc3cc(-c4ccccc4)on3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
46226628 | 199682 | 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 | 199682 | 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 | 186985 | 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 | 186985 | 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 | 198360 | 31 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
CHEMBL595573 | 198360 | 31 | None | - | 1 | Rat | 8.7 | pIC50 | = | 8.7 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmc.2009.08.019 | ||
11407098 | 198387 | 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 | 198387 | 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 | 25537 | 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 | 25537 | 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 | 183619 | 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 | 183619 | 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 | 196173 | 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 | 196173 | 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 | 195130 | 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 | 195130 | 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 | 197075 | 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 | 197075 | 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 | 197266 | 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 | 197266 | 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 | 192770 | 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 | 192770 | 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 | 186439 | 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 | 186439 | 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 | 186490 | 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 | 186490 | 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 | 198417 | 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 | 198417 | 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 | 200170 | 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 | 200170 | 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 | 198357 | 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 | 198357 | 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 | 124928 | 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 | 124928 | 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 | 202916 | 6 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
CHEMBL7342 | 202916 | 6 | None | - | 0 | Human | 8.6 | pIC50 | = | 8.6 | Binding | ChEMBL | 275 | 1 | 1 | 2 | 3.9 | Cc1ccc2c(c1)-c1nc(-c3cccnc3)[nH]c1CCC2 | 10.1016/s0960-894x(02)00090-2 | ||
45487530 | 197255 | 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 | 197255 | 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 | 187166 | 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 | 187166 | 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 | 186283 | 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 | 186283 | 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 | 198357 | 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 | 198357 | 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 | 59227 | 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 | 59227 | 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 | 60090 | 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 | 60090 | 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 | 199458 | 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 | 199458 | 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 | 187438 | 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 | 187438 | 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 | 196378 | 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 | 196378 | 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 | 196779 | 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 | 196779 | 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 | 186565 | 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 | 186565 | 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 | 192576 | 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 | 192576 | 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 | 186487 | 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 | 186487 | 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 | 186515 | 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 | 186515 | 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 | 198255 | 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 | 198255 | 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 | 198287 | 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 | 198287 | 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 | 196831 | 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 | 196831 | 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 | 76561 | 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 | 76561 | 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 | 198136 | 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 | 198136 | 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 | 69690 | 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 | 69690 | 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 | 196171 | 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 | 196171 | 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 | 195164 | 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 | 195164 | 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 | 174069 | 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 | 174069 | 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 | 59227 | 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 | 59227 | 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 | 168623 | 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 | 168623 | 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 | 85749 | 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 | 85749 | 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 | 187273 | 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 | 187273 | 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 | 196506 | 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 | 196506 | 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 | 195132 | 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 | 195132 | 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 | 200063 | 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 | 200063 | 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 | 192653 | 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 | 192653 | 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 | 76547 | 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 | 76547 | 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 | 69239 | 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 | 69239 | 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 | 12790 | 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 | 12790 | 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 | 12790 | 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 | 196472 | 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 | 196472 | 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 | 200176 | 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 | 200176 | 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 | 63641 | 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 | 63641 | 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 | 59340 | 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 | 59340 | 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 | 85743 | 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 | 85743 | 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 | 124917 | 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 | 124917 | 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 | 124925 | 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 | 124925 | 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 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
5312114 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL17645 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
CHEMBL195380 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/s0960-894x(00)00177-3 | ||
45487565 | 197345 | 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 | 197345 | 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 | 187165 | 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 | 187165 | 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 | 197345 | 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 | 197345 | 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 | 198448 | 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 | 198448 | 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 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
5312114 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
CHEMBL17645 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
CHEMBL195380 | 886 | 8 | None | - | 2 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 10.1016/j.bmcl.2003.11.070 | ||
9867212 | 104416 | 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 | 104416 | 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 | 98330 | 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 | 98330 | 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 | 85745 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
CHEMBL2312075 | 85745 | 0 | None | - | 0 | Mouse | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 379 | 5 | 1 | 5 | 4.2 | CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 | 10.1016/j.bmcl.2012.11.005 | ||
10831203 | 118948 | 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 | 118948 | 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 | 192806 | 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 | 192806 | 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 | 102936 | 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 | 102936 | 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 | 202387 | 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 | 202387 | 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 | 187461 | 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 | 187461 | 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 | 186405 | 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 | 186405 | 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 | 203688 | 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 | 203688 | 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 | 204226 | 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 | 204226 | 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 | 12710 | 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 | 12710 | 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 | 12710 | 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 | 102465 | 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 | 102465 | 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 | 131965 | 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 | 131965 | 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 | 47587 | 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 | 47587 | 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 | 186655 | 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 | 186655 | 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 | 60012 | 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 | 60012 | 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 | 78173 | 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 | 78173 | 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 | 204034 | 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 | 204034 | 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 | 102965 | 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 | 102965 | 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 | 12758 | 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 | 12758 | 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 | 12758 | 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 | 76553 | 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 | 76553 | 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 | 60026 | 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 | 60026 | 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 | 119359 | 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 | 119359 | 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 | 167560 | 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 | 167560 | 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 | 105140 | 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 | 105140 | 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 | 105032 | 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 | 105032 | 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 | 112594 | 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 | 112594 | 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 | 101044 | 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 | 101044 | 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 | 85741 | 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 | 85741 | 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 | 28520 | 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 | 28520 | 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 | 116211 | 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 | 116211 | 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 | 167949 | 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 | 167949 | 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 | 63501 | 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 | 63501 | 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 | 10069 | 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 | 10069 | 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 | 102669 | 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 | 102669 | 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 | 186625 | 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 | 186625 | 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 | 186625 | 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 | 186625 | 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 | 203830 | 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 | 203830 | 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 | 102943 | 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 | 102943 | 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 | 13895 | 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 | 13895 | 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 | 13895 | 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 | 110130 | 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 | 110130 | 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 | 29178 | 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 | 29178 | 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 | 203008 | 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 | 203008 | 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 | 168572 | 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 | 168572 | 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 | 168940 | 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 | 168940 | 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 | 203646 | 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 | 203646 | 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 | 57246 | 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 | 57246 | 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 | 203366 | 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 | 203366 | 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 | 118278 | 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 | 118278 | 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 | 64215 | 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 | 64215 | 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 | 203897 | 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 | 203897 | 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 | 203171 | 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 | 203171 | 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 | 202264 | 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 | 202264 | 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 | 85735 | 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 | 85735 | 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 | 103663 | 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 | 103663 | 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 | 103913 | 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 | 103913 | 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 | 13068 | 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 | 13068 | 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 | 13068 | 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 | 100758 | 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 | 100758 | 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 | 27782 | 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 | 27782 | 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 | 187277 | 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 | 187277 | 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 | 27380 | 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 | 27380 | 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 | 165808 | 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 | 165808 | 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 | 204096 | 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 | 204096 | 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 | 198104 | 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 | 198104 | 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 | 12757 | 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 | 12757 | 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 | 12757 | 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 | 165655 | 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 | 165655 | 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 | 28496 | 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 | 28496 | 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 | 161285 | 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 | 161285 | 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 | 203240 | 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 | 203240 | 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 | 13396 | 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 | 13396 | 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 | 102962 | 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 | 102962 | 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 | 11538 | 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 | 11538 | 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 | 186879 | 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 | 186879 | 0 | None | - | 0 | Human | 6.6 | pIC50 | = | 6.6 | Binding | ChEMBL | 392 | 4 | 1 | 4 | 4.0 | COC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 | 10.1016/j.bmcl.2009.01.101 | ||
1305 | 508 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
9934033 | 508 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
CHEMBL182150 | 508 | 10 | None | - | 0 | Human | 5.6 | pIC50 | = | 5.6 | Binding | ChEMBL | 425 | 5 | 2 | 5 | 4.1 | O=C(c1ccc(c(c1)F)F)N[C@@H]1CC[C@@H](CC1)Nc1nc2ccccc2c(n1)N(C)C | 10.1016/j.bmcl.2005.05.121 | ||
44370177 | 168636 | 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 | 168636 | 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 | 28460 | 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 | 28460 | 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 | 192807 | 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 | 192807 | 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 | 203657 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
CHEMBL79849 | 203657 | 0 | None | - | 0 | Human | 7.6 | pIC50 | = | 7.6 | Binding | ChEMBL | 419 | 6 | 1 | 6 | 3.6 | CCOCC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
44379102 | 158239 | 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 | 158239 | 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 | 172013 | 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 | 172013 | 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 | 46001 | 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 | 46001 | 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 | 29061 | 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 | 29061 | 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 | 203267 | 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 | 203267 | 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 | 27014 | 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 | 27014 | 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 | 202792 | 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 | 202792 | 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 | 105147 | 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 | 105147 | 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 | 163087 | 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 | 163087 | 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 | 203219 | 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 | 203219 | 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 | 104269 | 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 | 104269 | 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 | 27547 | 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 | 27547 | 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 | 124923 | 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 | 124923 | 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 | 187106 | 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 | 187106 | 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 | 192689 | 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 | 192689 | 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 | 196782 | 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 | 196782 | 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 | 10234 | 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 | 10234 | 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 | 110063 | 36 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
CHEMBL325226 | 110063 | 36 | None | - | 0 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | 351 | 2 | 1 | 3 | 4.5 | Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C | 10.1021/jm011125x | ||
11002751 | 167527 | 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 | 167527 | 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 | 195171 | 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 | 195171 | 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 | 186731 | 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 | 186731 | 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 | 187106 | 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 | 187106 | 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 | 192689 | 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 | 192689 | 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 | 97679 | 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 | 97679 | 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 | 104264 | 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 | 104264 | 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 | 203841 | 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 | 203841 | 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 | 204164 | 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 | 204164 | 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 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
1518 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
1521 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
24868177 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
44288922 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
77068007 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
90479759 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
CHEMBL438945 | 2767 | 7 | None | -9 | 10 | Human | 8.5 | pIC50 | = | 8.5 | Binding | ChEMBL | None | None | None | None | 10.1021/jm990468g | ||||
71458606 | 80941 | 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 | 80941 | 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 | 127973 | 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 | 127973 | 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 | 195131 | 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 | 195131 | 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 | 192104 | 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 | 192104 | 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 | 203359 | 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 | 203359 | 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 | 196174 | 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 | 196174 | 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 | 196662 | 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 | 196662 | 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 | 124920 | 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 | 124920 | 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 | 196345 | 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 | 196345 | 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 | 186388 | 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 | 186388 | 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 | 162702 | 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 | 162702 | 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 | 196208 | 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 | 196208 | 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 | 196704 | 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 | 196704 | 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 | 192339 | 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 | 192339 | 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 | 187417 | 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 | 187417 | 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 | 192457 | 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 | 192457 | 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 | 127978 | 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 | 127978 | 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 | 183533 | 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 | 183533 | 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 | 56884 | 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 | 56884 | 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 | 85747 | 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 | 85747 | 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 | 124914 | 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 | 124914 | 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 | 97988 | 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 | 97988 | 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 | 196172 | 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 | 196172 | 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 | 187260 | 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 | 187260 | 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 | 198045 | 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 | 198045 | 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 | 22853 | 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 | 22853 | 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 | 202948 | 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 | 202948 | 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 | 187688 | 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 | 187688 | 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 | 12703 | 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 | 12703 | 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 | 12703 | 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 | 163010 | 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 | 163010 | 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 | 110899 | 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 | 110899 | 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 | 186909 | 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 | 186909 | 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 | 13863 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | ||
CHEMBL1196846 | 13863 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | ||
CHEMBL558393 | 13863 | 0 | None | - | 0 | Rat | 6.5 | pIC50 | = | 6.5 | Binding | ChEMBL | 399 | 4 | 1 | 4 | 3.9 | O=C(CN1CCC(N2C(=O)OCc3ccccc32)CC1)Nc1ccc(Cl)cc1 | 10.1021/jm049599u | ||
44401671 | 69923 | 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 | 69923 | 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 | 102679 | 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 | 102679 | 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 | 168579 | 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 | 168579 | 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 | 69493 | 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 | 69493 | 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 | 76551 | 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 | 76551 | 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 | 56877 | 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 | 56877 | 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 | 28276 | 13 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
CHEMBL137572 | 28276 | 13 | None | - | 0 | Human | 5.5 | pIC50 | = | 5.5 | Binding | ChEMBL | 224 | 1 | 2 | 3 | 2.5 | Cc1nc(N)c2[nH]c(-c3ccccc3)cc2n1 | 10.1021/jm000269t | ||
10872140 | 53728 | 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 | 53728 | 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 | 85737 | 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 | 85737 | 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 | 28220 | 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 | 28220 | 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 | 96785 | 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 | 96785 | 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 | 186872 | 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 | 186872 | 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 | 121631 | 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 | 121631 | 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 | 164338 | 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 | 164338 | 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 | 12896 | 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 | 12896 | 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 | 115746 | 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 | 115746 | 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 | 102952 | 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 | 102952 | 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 | 103626 | 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 | 103626 | 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 | 10938 | 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 | 10938 | 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 | 201827 | 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 | 201827 | 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 | 203283 | 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 | 203283 | 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 | 109909 | 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 | 109909 | 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 | 112400 | 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 | 112400 | 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 | 192270 | 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 | 192270 | 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 | 203018 | 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 | 203018 | 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 | 102419 | 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 | 102419 | 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 | 116181 | 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 | 116181 | 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 | 172498 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
CHEMBL451955 | 172498 | 0 | None | - | 0 | Human | 7.4 | pIC50 | = | 7.4 | Binding | ChEMBL | 333 | 1 | 1 | 4 | 3.5 | Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 | 10.1016/j.bmcl.2008.08.018 | ||
9806525 | 99790 | 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 | 99790 | 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 | 192789 | 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 | 192789 | 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 | 169503 | 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 | 169503 | 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 | 202914 | 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 | 202914 | 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 | 203890 | 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 | 203890 | 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 | 165592 | 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 | 165592 | 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 | 56887 | 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 | 56887 | 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 | 203682 | 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 | 203682 | 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 | 76555 | 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 | 76555 | 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 | 27961 | 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 | 27961 | 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 | 203247 | 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 | 203247 | 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 | 179265 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
CHEMBL4745232 | 179265 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
25881665 | 179265 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
CHEMBL4745232 | 179265 | 2 | None | - | 0 | Mouse | 5.4 | pIC50 | = | 5.4 | Binding | ChEMBL | 397 | 3 | 1 | 7 | 1.8 | CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1nc2cc3c(cc2s1)OCCO3 | 10.1021/acs.jmedchem.0c02000 | ||
70693069 | 76554 | 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 | 76554 | 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 | 101607 | 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 | 101607 | 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 | 101607 | 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 | 119654 | 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 | 119654 | 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 | 192675 | 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 | 192675 | 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 | 186684 | 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 | 186684 | 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 | 165083 | 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 | 165083 | 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 | 12718 | 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 | 12718 | 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 | 12718 | 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 | 13913 | 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 | 13913 | 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 | 64020 | 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 | 64020 | 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 | 186723 | 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 | 186723 | 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 | 103681 | 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 | 103681 | 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 | 164141 | 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 | 164141 | 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 | 203955 | 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 | 203955 | 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 | 204168 | 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 | 204168 | 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 | 104405 | 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 | 104405 | 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 | 104405 | 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 | 203364 | 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 | 203364 | 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 | 85744 | 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 | 85744 | 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 | 124915 | 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 | 124915 | 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 | 124918 | 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 | 124918 | 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 | 192573 | 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 | 192573 | 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 | 196607 | 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 | 196607 | 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 | 192573 | 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 | 192573 | 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 | 200987 | 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 | 200987 | 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 | 196649 | 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 | 196649 | 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 | 198420 | 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 | 198420 | 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 | 63539 | 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 | 63539 | 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 | 127974 | 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 | 127974 | 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 | 80933 | 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 | 80933 | 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 | 186457 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
CHEMBL490937 | 186457 | 0 | None | - | 1 | Human | 8.4 | pIC50 | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1016/j.bmcl.2009.01.101 | ||
10293081 | 186658 | 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 | 186658 | 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 | 85736 | 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 | 85736 | 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 | 198138 | 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 | 198138 | 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 | 58945 | 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 | 58945 | 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 | 124916 | 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 | 124916 | 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 | 197347 | 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 | 197347 | 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 | 186517 | 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 | 186517 | 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 | 73101 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | ||
CHEMBL2016681 | 73101 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.09.025 | ||
20629114 | 73101 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | ||
CHEMBL2016681 | 73101 | 40 | None | - | 1 | Mouse | 8.3 | pIC50 | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.11.005 | ||
9952232 | 198286 | 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 | 198286 | 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 | 57783 | 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 | 57783 | 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 | 97988 | 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 | 97988 | 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 | 183623 | 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 | 183623 | 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 | 172193 | 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 | 172193 | 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 | 186939 | 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 | 186939 | 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 | 196648 | 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 | 196648 | 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 | 69478 | 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 | 69478 | 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 | 80746 | 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 | 80746 | 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 | 109852 | 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 | 109852 | 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 | 202722 | 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 | 202722 | 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 | 203613 | 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 | 203613 | 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 | 104416 | 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 | 104416 | 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 | 102953 | 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 | 102953 | 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 | 76550 | 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 | 76550 | 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 | 28074 | 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 | 28074 | 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 | 116297 | 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 | 116297 | 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 | 76540 | 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 | 76540 | 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 | 164610 | 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 | 164610 | 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 | 196379 | 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 | 196379 | 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 | 203596 | 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 | 203596 | 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 | 70563 | 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 | 70563 | 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 | 85738 | 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 | 85738 | 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 | 51316 | 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 | 51316 | 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 | 118832 | 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 | 118832 | 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 | 202198 | 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 | 202198 | 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 | 192510 | 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 | 192510 | 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 | 105376 | 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 | 105376 | 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 | 102609 | 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 | 102609 | 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 | 27480 | 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 | 27480 | 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 | 192596 | 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 | 192596 | 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 | 76543 | 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 | 76543 | 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 | 10945 | 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 | 10945 | 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 | 102951 | 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 | 102951 | 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 | 53490 | 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 | 53490 | 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 | 114994 | 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 | 114994 | 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 | 55289 | 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 | 55289 | 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 | 192671 | 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 | 192671 | 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 | 162948 | 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 | 162948 | 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 | 162787 | 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 | 162787 | 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 | 203361 | 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 | 203361 | 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 | 96590 | 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 | 96590 | 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 | 28123 | 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 | 28123 | 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 | 64279 | 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 | 64279 | 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 | 76539 | 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 | 76539 | 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 | 58910 | 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 | 58910 | 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 | 172788 | 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 | 172788 | 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 | 187072 | 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 | 187072 | 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 | 51793 | 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 | 51793 | 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 | 46743 | 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 | 46743 | 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 | 114857 | 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 | 114857 | 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 | 129135 | 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 | 129135 | 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 | 27876 | 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 | 27876 | 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 | 102606 | 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 | 102606 | 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 | 168489 | 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 | 168489 | 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 | 85750 | 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 | 85750 | 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 | 161937 | 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 | 161937 | 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 | 203239 | 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 | 203239 | 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 | 192577 | 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 | 192577 | 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 | 196175 | 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 | 196175 | 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 | 186933 | 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 | 186933 | 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 | 103698 | 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 | 103698 | 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 | 104416 | 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 | 104416 | 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 | 106652 | 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 | 106652 | 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 | 203681 | 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 | 203681 | 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 | 102964 | 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 | 102964 | 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 | 109904 | 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 | 109904 | 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 | 203440 | 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 | 203440 | 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 | 192491 | 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 | 192491 | 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 | 28881 | 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 | 28881 | 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 | 196377 | 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 | 196377 | 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 | 200158 | 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 | 200158 | 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 | 186685 | 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 | 186685 | 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 | 67218 | 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 | 67218 | 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 | 183745 | 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 | 183745 | 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 | 187289 | 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 | 187289 | 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 | 161226 | 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 | 161226 | 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 | 192048 | 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 | 192048 | 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 | 12816 | 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 | 12816 | 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 | 12816 | 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 | 12972 | 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 | 12972 | 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 | 12972 | 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 | 187550 | 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 | 187550 | 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 | 203398 | 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 | 203398 | 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 | 103105 | 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 | 103105 | 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 | 187502 | 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 | 187502 | 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 | 192477 | 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 | 192477 | 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 | 28944 | 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 | 28944 | 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 | 28312 | 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 | 28312 | 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 | 96563 | 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 | 96563 | 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 | 56851 | 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 | 56851 | 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 | 178108 | 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 | 178108 | 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 | 102552 | 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 | 102552 | 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 | 27969 | 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 | 27969 | 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 | 28072 | 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 | 28072 | 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 | 98421 | 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 | 98421 | 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 | 12843 | 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 | 12843 | 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 | 98421 | 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 | 98421 | 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 | 101685 | 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 | 101685 | 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 | 186871 | 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 | 186871 | 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 | 186910 | 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 | 186910 | 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 | 60187 | 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 | 60187 | 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 | 60187 | 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 | 118902 | 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 | 118902 | 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 | 118918 | 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 | 118918 | 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 | 56899 | 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 | 56899 | 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 | 126704 | 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 | 126704 | 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 | 187308 | 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 | 187308 | 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 | 57809 | 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 | 57809 | 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 | 28427 | 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 | 28427 | 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 | 192592 | 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 | 192592 | 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 | 122001 | 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 | 122001 | 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 | 118681 | 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 | 118681 | 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 | 202036 | 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 | 202036 | 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 | 202615 | 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 | 202615 | 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 | 203105 | 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 | 203105 | 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 | 76563 | 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 | 76563 | 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 | 187476 | 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 | 187476 | 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 | 118773 | 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 | 118773 | 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 | 167891 | 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 | 167891 | 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 | 186880 | 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 | 186880 | 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 | 118637 | 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 | 118637 | 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 | 103887 | 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 | 103887 | 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 | 104266 | 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 | 104266 | 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 | 203597 | 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 | 203597 | 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 | 203635 | 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 | 203635 | 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 | 203636 | 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 | 203636 | 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 | 203842 | 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 | 203842 | 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 | 203944 | 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 | 203944 | 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 | 203988 | 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 | 203988 | 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 | 165832 | 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 | 165832 | 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 | 123161 | 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 | 123161 | 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 | 196858 | 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 | 196858 | 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 | 187488 | 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 | 187488 | 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 | 60107 | 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 | 60107 | 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 | 186628 | 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 | 186628 | 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 | 166555 | 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 | 166555 | 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 | 76542 | 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 | 76542 | 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 | 202623 | 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 | 202623 | 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 | 202959 | 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 | 202959 | 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 | 203388 | 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 | 203388 | 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 | 188371 | 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 | 188371 | 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 | 186340 | 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 | 186340 | 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 | 80926 | 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 | 80926 | 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 | 201800 | 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 | 201800 | 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 | 12792 | 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 | 12792 | 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 | 12792 | 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 | 118647 | 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 | 118647 | 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 | 85751 | 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 | 85751 | 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 | 76546 | 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 | 76546 | 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 | 106652 | 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 | 106652 | 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 | 202341 | 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 | 202341 | 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 | 103328 | 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 | 103328 | 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 | 203172 | 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 | 203172 | 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 | 64044 | 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 | 64044 | 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 | 192056 | 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 | 192056 | 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 | 123566 | 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 | 123566 | 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 | 27814 | 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 | 27814 | 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 | 57141 | 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 | 57141 | 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 | 119961 | 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 | 119961 | 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 | 27869 | 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 | 27869 | 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 | 102692 | 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 | 102692 | 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 | 27640 | 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 | 27640 | 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 | 203064 | 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 | 203064 | 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 | 57150 | 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 | 57150 | 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 | 119412 | 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 | 119412 | 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 | 162890 | 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 | 162890 | 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 | 203876 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
CHEMBL81442 | 203876 | 0 | None | - | 0 | Human | 7.2 | pIC50 | = | 7.2 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.6 | CC(=O)N1CCC(CNc2nc3c(s2)CCOc2ccc(F)cc2-3)CC1 | 10.1016/j.bmcl.2004.03.014 | ||
9799669 | 204096 | 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 | 204096 | 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 | 13730 | 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 | 13730 | 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 | 13730 | 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 | 110099 | 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 | 110099 | 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 | 13261 | 10 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
CHEMBL119247 | 13261 | 10 | None | - | 0 | Human | 8.2 | pIC50 | = | 8.2 | Binding | ChEMBL | 323 | 2 | 1 | 3 | 3.7 | CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 | 10.1021/jm011125x | ||
44460467 | 164005 | 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 | 164005 | 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 | 203834 | 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 | 203834 | 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 | 203988 | 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 | 203988 | 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 | 102942 | 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 | 102942 | 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 | 196233 | 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 | 196233 | 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 | 85740 | 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 | 85740 | 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 | 187071 | 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 | 187071 | 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 | 161249 | 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 | 161249 | 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 | 186622 | 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 | 186622 | 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 | 195562 | 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 | 195562 | 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 | 186622 | 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 | 186622 | 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 | 76560 | 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 | 76560 | 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 | 63166 | 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 | 63166 | 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 | 192518 | 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 | 192518 | 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 | 44337 | 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 | 44337 | 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 | 62936 | 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 | 62936 | 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 | 192043 | 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 | 192043 | 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 | 203324 | 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 | 203324 | 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 | 110730 | 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 | 110730 | 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 | 202944 | 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 | 202944 | 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 | 104931 | 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 | 104931 | 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 | 203244 | 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 | 203244 | 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 | 10917 | 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 | 10917 | 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 | 55290 | 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 | 55290 | 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 | 27374 | 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 | 27374 | 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 | 25810 | 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 | 25810 | 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 | 28261 | 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 | 28261 | 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 | 114628 | 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 | 114628 | 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 | 192851 | 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 | 192851 | 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 | 164131 | 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 | 164131 | 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 | 57776 | 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 | 57776 | 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 | 102941 | 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 | 102941 | 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 | 165840 | 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 | 165840 | 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 | 115914 | 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 | 115914 | 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 | 30244 | 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 | 30244 | 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 | 103104 | 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 | 103104 | 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 | 99745 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL288355 | 99745 | 0 | None | - | 0 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 487 | 11 | 5 | 4 | 2.9 | CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
44313496 | 203106 | 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 | 203106 | 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 | 202909 | 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 | 202909 | 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 | 12852 | 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 | 12852 | 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 | 12852 | 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 | 12520 | 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 | 12520 | 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 | 99944 | 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 | 99944 | 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 | 13505 | 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 | 13505 | 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 | 203541 | 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 | 203541 | 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 | 165353 | 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 | 165353 | 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 | 27611 | 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 | 27611 | 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 | 118916 | 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 | 118916 | 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 | 202898 | 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 | 202898 | 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 | 52455 | 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 | 52455 | 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 | 11187 | 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 | 11187 | 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 | 192521 | 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 | 192521 | 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 | 13819 | 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 | 13819 | 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 | 13819 | 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 | 102698 | 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 | 102698 | 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 | 186627 | 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 | 186627 | 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 | 100120 | 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 | 100120 | 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 | 25536 | 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 | 25536 | 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 | 192484 | 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 | 192484 | 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 | 13843 | 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 | 13843 | 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 | 13843 | 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 | 196731 | 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 | 196731 | 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 | 202930 | 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 | 202930 | 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 | 85734 | 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 | 85734 | 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 | 203214 | 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 | 203214 | 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 | 10035 | 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 | 10035 | 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 | 168857 | 3 | None | -309 | 9 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
CHEMBL44246 | 168857 | 3 | None | -309 | 9 | Human | 4.1 | pIC50 | = | 4.1 | Binding | ChEMBL | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | 10.1016/s0960-894x(00)00292-4 | ||
11056043 | 119545 | 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 | 119545 | 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 | 203993 | 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 | 203993 | 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 | 168015 | 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 | 168015 | 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 | 187519 | 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 | 187519 | 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 | 118711 | 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 | 118711 | 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 | 183744 | 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 | 183744 | 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 | 56206 | 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 | 56206 | 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 | 27397 | 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 | 27397 | 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 | 164304 | 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 | 164304 | 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 | 119608 | 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 | 119608 | 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 | 12870 | 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 | 12870 | 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 | 12870 | 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 | 29234 | 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 | 29234 | 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 | 70750 | 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 | 70750 | 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 | 63177 | 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 | 63177 | 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 | 123391 | 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 | 123391 | 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 | 122420 | 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 | 122420 | 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 | 122420 | 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 | 122420 | 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 | 102168 | 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 | 102168 | 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 | 196473 | 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 | 196473 | 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 | 203404 | 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 | 203404 | 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 | 66665 | 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 | 66665 | 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 | 60107 | 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 | 60107 | 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 | 191082 | 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 | 191082 | 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 | 187139 | 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 | 187139 | 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 | 183590 | 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 | 183590 | 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 | 85742 | 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 | 85742 | 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 | 13828 | 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 | 13828 | 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 | 13828 | 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 | 186650 | 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 | 186650 | 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 | 186650 | 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 | 186650 | 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 | 202127 | 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 | 202127 | 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 | 102429 | 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 | 102429 | 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 | 187226 | 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 | 187226 | 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 | 186462 | 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 | 186462 | 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 | 78110 | 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 | 78110 | 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 | 119569 | 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 | 119569 | 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 | 188269 | 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 | 188269 | 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 | 28380 | 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 | 28380 | 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 | 203357 | 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 | 203357 | 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 | 203759 | 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 | 203759 | 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 | 85746 | 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 | 85746 | 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 | 85739 | 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 | 85739 | 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 | 203863 | 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 | 203863 | 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 | 66841 | 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 | 66841 | 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 | 201048 | 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 | 201048 | 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 | 65039 | 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 | 65039 | 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 | 72965 | 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 | 72965 | 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 | 211702 | 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 | 211702 | 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 | 154830 | 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 | 154830 | 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 | 211672 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
57345520 | 72957 | 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 | 72957 | 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 | 211672 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
CHEMBL4281479 | 211672 | 4 | None | -2 | 7 | Human | 9.3 | pKi | = | 9.3 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | 10.1021/acs.jmedchem.8b01046 | ||||
56666778 | 65042 | 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 | 65042 | 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 | 211625 | 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 | 211716 | 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 | 211625 | 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 | 211716 | 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 | 73136 | 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 | 73136 | 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 | 155044 | 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 | 155044 | 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 | 73102 | 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 | 73102 | 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 | 65041 | 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 | 65041 | 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 | 192100 | 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 | 192100 | 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 | 65045 | 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 | 65045 | 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 | 198536 | 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 | 198536 | 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 | 73144 | 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 | 73144 | 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 | 65045 | 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 | 65045 | 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 | 65040 | 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 | 65040 | 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 | 72955 | 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 | 72955 | 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 | 72967 | 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 | 72967 | 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 | 72970 | 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 | 72970 | 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 | 73143 | 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 | 73143 | 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 | 65039 | 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 | 65039 | 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 | 186394 | 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 | 186394 | 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 | 192565 | 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 | 192565 | 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 | 72966 | 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 | 72966 | 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 | 12589 | 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 | 12589 | 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 | 12589 | 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 | 72961 | 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 | 72961 | 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 | 166239 | 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 | 166239 | 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 | 54862 | 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 | 54862 | 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 | 54862 | 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 | 54862 | 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 | 72969 | 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 | 72969 | 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 | 94642 | 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 | 94642 | 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 | 211642 | 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 | 186495 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL491288 | 186495 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL4278700 | 211642 | 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 | 186495 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
CHEMBL491288 | 186495 | 7 | None | - | 1 | Human | 8.9 | pKi | = | 8.9 | Binding | ChEMBL | 375 | 3 | 1 | 5 | 3.3 | C[C@@H]1NC(c2cc(C#N)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 | 10.1021/jm900110t | ||
54141274 | 66284 | 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 | 66284 | 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 | 66284 | 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 | 186307 | 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 | 186307 | 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 | 186307 | 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 | 186307 | 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 | 100563 | 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 | 100563 | 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 | 72960 | 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 | 72960 | 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 | 72963 | 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 | 72963 | 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 | 154921 | 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 | 154921 | 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 | 211653 | 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 | 110728 | 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 | 110728 | 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 | 211653 | 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 | 198360 | 31 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | ||
CHEMBL595573 | 198360 | 31 | None | - | 1 | Human | 8.8 | pKi | = | 8.8 | Binding | ChEMBL | 406 | 3 | 1 | 6 | 3.6 | O=C1O[C@]2(CC[C@H](C(=O)Nc3ccn(-c4ccccc4F)n3)CC2)c2cnccc21 | 10.1016/j.bmcl.2012.02.098 | ||
44139478 | 186358 | 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 | 186358 | 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 | 54862 | 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 | 54862 | 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 | 72964 | 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 | 72964 | 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 | 67479 | 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 | 67479 | 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 | 65043 | 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 | 65043 | 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 | 12522 | 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 | 12522 | 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 | 12522 | 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 | 72962 | 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 | 72962 | 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 | 95200 | 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 | 95200 | 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 | 67663 | 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 | 67663 | 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 | 12523 | 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 | 12523 | 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 | 12523 | 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 | 201055 | 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 | 201055 | 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 | 211620 | 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 | 73139 | 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 | 73139 | 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 | 105240 | 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 | 105240 | 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 | 72956 | 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 | 72956 | 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 | 119570 | 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 | 119570 | 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 | 79086 | 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 | 79086 | 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 | 189100 | 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 | 189100 | 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 | 211709 | 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 | 211722 | 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 | 211730 | 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 | 211628 | 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 | 211666 | 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 | 211748 | 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 | 185952 | 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 | 185952 | 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 | 101382 | 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 | 101382 | 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 | 101056 | 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 | 101056 | 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 | 67648 | 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 | 67648 | 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 | 100272 | 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 | 100272 | 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 | 73147 | 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 | 73147 | 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 | 62459 | 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 | 62459 | 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 | 190553 | 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 | 190553 | 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 | 67659 | 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 | 67659 | 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 | 65047 | 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 | 65047 | 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 | 67665 | 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 | 67665 | 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 | 207469 | 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 | 113466 | 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 | 113466 | 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 | 208729 | 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 | 67649 | 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 | 67649 | 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 | 102253 | 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 | 102253 | 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 | 105239 | 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 | 105239 | 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 | 170416 | 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 | 170416 | 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 | 72973 | 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 | 72973 | 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 | 52033 | 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 | 52033 | 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 | 185945 | 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 | 185945 | 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 | 211658 | 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 | 168422 | 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 | 168422 | 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 | 168422 | 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 | 211662 | 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 | 211689 | 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 | 211738 | 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 | 211762 | 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 | 62188 | 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 | 62188 | 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 | 94641 | 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 | 94641 | 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 | 211658 | 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 | 154865 | 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 | 154865 | 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 | 168422 | 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 | 168422 | 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 | 168422 | 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 | 211662 | 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 | 211689 | 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 | 211738 | 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 | 211762 | 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 | 201047 | 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 | 201047 | 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 | 116797 | 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 | 116797 | 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 | 65050 | 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 | 65050 | 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 | 178066 | 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 | 178066 | 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 | 188415 | 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 | 188415 | 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 | 161442 | 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 | 161442 | 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 | 188618 | 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 | 188618 | 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 | 138676 | 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 | 138676 | 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 | 138676 | 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 | 110053 | 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 | 110053 | 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 | 186453 | 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 | 186453 | 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 | 15407 | 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 | 15407 | 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 | 100608 | 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 | 100608 | 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 | 101811 | 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 | 101811 | 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 | 162243 | 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 | 162243 | 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 | 211651 | 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 | 211720 | 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 | 67646 | 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 | 67646 | 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 | 67656 | 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 | 67656 | 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 | 170422 | 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 | 170422 | 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 | 101079 | 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 | 101079 | 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 | 110830 | 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 | 110830 | 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 | 211695 | 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 | 67666 | 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 | 67666 | 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 | 198808 | 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 | 198808 | 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 | 113942 | 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 | 113942 | 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 | 211651 | 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 | 211720 | 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 | 77952 | 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 | 77952 | 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 | 211695 | 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 | 94952 | 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 | 94952 | 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 | 97573 | 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 | 97573 | 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 | 208736 | 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 | 178237 | 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 | 178237 | 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 | 212240 | 15 | None | -18 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | ||||
21336500 | 101204 | 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 | 101204 | 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 | 212240 | 15 | None | -18 | 3 | Human | 7.8 | pKi | = | 7.8 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/acs.jmedchem.1c01574 | ||||
57394524 | 67482 | 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 | 67482 | 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 | 67651 | 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 | 67651 | 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 | 65046 | 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 | 65046 | 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 | 67471 | 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 | 67471 | 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 | 73142 | 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 | 73142 | 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 | 67667 | 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 | 67667 | 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 | 13617 | 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 | 13617 | 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 | 65033 | 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 | 65033 | 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 | 65030 | 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 | 65030 | 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 | 178145 | 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 | 178145 | 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 | 177979 | 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 | 177979 | 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 | 101277 | 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 | 101277 | 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 | 211735 | 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 | 211749 | 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 | 211681 | 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 | 67474 | 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 | 67474 | 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 | 105231 | 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 | 105231 | 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 | 192470 | 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 | 192470 | 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 | 192672 | 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 | 192672 | 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 | 72974 | 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 | 72974 | 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 | 94607 | 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 | 94607 | 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 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
1518 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
1521 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
24868177 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
44288922 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
77068007 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
90479759 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
CHEMBL438945 | 2767 | 7 | None | -9 | 10 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | None | 10.1021/jm4008505 | ||||
44139601 | 192646 | 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 | 192646 | 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 | 72968 | 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 | 72968 | 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 | 211789 | 12 | None | -27 | 4 | Human | 8.7 | pKi | = | 8.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O | 10.1021/jm010031k | ||||
70683239 | 73141 | 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 | 73141 | 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 | 186565 | 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 | 186565 | 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 | 94607 | 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 | 94607 | 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 | 186454 | 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 | 186454 | 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 | 186559 | 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 | 186559 | 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 | 197206 | 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 | 197206 | 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 | 62376 | 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 | 62376 | 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 | 192523 | 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 | 192523 | 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 | 94984 | 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 | 94984 | 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 | 62466 | 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 | 62466 | 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 | 62467 | 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 | 62467 | 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 | 95133 | 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 | 95133 | 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 | 52001 | 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 | 52001 | 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 | 62463 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL1784127 | 62463 | 0 | None | - | 1 | Human | 8.5 | pKi | = | 8.5 | Binding | ChEMBL | 394 | 4 | 1 | 5 | 3.2 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)ccc1=O | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL439904 | 212106 | 12 | None | -50 | 3 | Human | 7.7 | pKi | = | 7.7 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)C(C)C | 10.1016/j.bmcl.2006.10.007 | ||||
44577739 | 188802 | 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 | 188802 | 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 | 155033 | 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 | 155033 | 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 | 211735 | 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 | 211749 | 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 | 65031 | 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 | 65031 | 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 | 211681 | 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 | 100515 | 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 | 100515 | 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 | 14380 | 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 | 14380 | 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 | 65036 | 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 | 65036 | 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 | 109663 | 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 | 109663 | 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 | 65032 | 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 | 65032 | 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 | 171736 | 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 | 171736 | 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 | 200070 | 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 | 200070 | 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 | 178197 | 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 | 178197 | 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 | 73137 | 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 | 73137 | 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 | 138677 | 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 | 138677 | 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 | 138677 | 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 | 138677 | 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 | 175077 | 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 | 175077 | 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 | 65035 | 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 | 65035 | 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 | 113288 | 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 | 113288 | 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 | 100878 | 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 | 100878 | 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 | 73148 | 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 | 73148 | 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 | 161149 | 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 | 161149 | 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 | 161149 | 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 | 177954 | 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 | 177954 | 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 | 67661 | 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 | 67661 | 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 | 211782 | 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 | 164316 | 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 | 164316 | 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 | 211782 | 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 | 67654 | 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 | 67654 | 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 | 211682 | 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 | 211682 | 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 | 190475 | 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 | 190475 | 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 | 54647 | 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 | 54647 | 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 | 14325 | 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 | 14325 | 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 | 65028 | 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 | 65028 | 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 | 155014 | 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 | 155014 | 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 | 67660 | 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 | 67660 | 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 | 62378 | 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 | 62378 | 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 | 101554 | 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 | 101554 | 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 | 138686 | 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 | 138686 | 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 | 138686 | 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 | 188881 | 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 | 188881 | 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 | 67475 | 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 | 67475 | 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 | 105233 | 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 | 105233 | 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 | 192588 | 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 | 192588 | 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 | 192093 | 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 | 192093 | 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 | 211765 | 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 | 211765 | 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 | 186560 | 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 | 186560 | 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 | 166518 | 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 | 166518 | 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 | 166866 | 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 | 166866 | 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 | 67668 | 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 | 67668 | 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 | 101535 | 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 | 101535 | 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 | 62460 | 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 | 62460 | 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 | 65044 | 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 | 65044 | 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 | 95134 | 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 | 95134 | 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 | 16124 | 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 | 16124 | 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 | 65040 | 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 | 65040 | 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 | 72958 | 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 | 72958 | 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 | 164316 | 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 | 164316 | 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 | 62465 | 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 | 62465 | 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 | 186529 | 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 | 186529 | 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 | 67472 | 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 | 67472 | 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 | 62461 | 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 | 62461 | 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 | 65044 | 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 | 65044 | 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 | 211742 | 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 | 14388 | 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 | 14388 | 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 | 186471 | 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 | 186471 | 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 | 14484 | 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 | 14484 | 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 | 73149 | 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 | 73149 | 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 | 94723 | 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 | 94723 | 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 | 67664 | 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 | 67664 | 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 | 211756 | 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 | 97612 | 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 | 97612 | 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 | 157123 | 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 | 157123 | 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 | 211776 | 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 | 58910 | 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 | 58910 | 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 | 211756 | 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 | 161442 | 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 | 161442 | 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 | 211776 | 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 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 53553 | 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 | 53553 | 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 | 67473 | 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 | 67473 | 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 | 14396 | 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 | 14396 | 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 | 110879 | 78 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
CHEMBL327027 | 110879 | 78 | None | - | 1 | Human | 7.5 | pKi | = | 7.5 | Binding | ChEMBL | 220 | 2 | 1 | 1 | 3.7 | c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1 | 10.1016/s0960-894x(03)00747-9 | ||
24950714 | 178122 | 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 | 178122 | 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 | 188778 | 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 | 188778 | 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 | 181726 | 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 | 181726 | 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 | 155045 | 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 | 155045 | 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 | 62381 | 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 | 62381 | 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 | 178064 | 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 | 178064 | 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 | 178244 | 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 | 178244 | 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 | 67658 | 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 | 67658 | 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 | 110138 | 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 | 110138 | 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 | 65052 | 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 | 65052 | 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 | 67480 | 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 | 67480 | 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 | 162683 | 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 | 162683 | 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 | 102151 | 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 | 102151 | 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 | 211656 | 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 | 211693 | 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 | 211747 | 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 | 14701 | 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 | 14701 | 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 | 211742 | 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 | 105235 | 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 | 105235 | 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 | 72959 | 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 | 72959 | 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 | 186308 | 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 | 186308 | 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 | 62458 | 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 | 62458 | 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 | 186457 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | ||
CHEMBL490937 | 186457 | 0 | None | - | 1 | Human | 8.4 | pKi | = | 8.4 | Binding | ChEMBL | 336 | 3 | 1 | 4 | 3.0 | Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cnccn3)=N2)cc1 | 10.1021/jm900110t | ||
56677043 | 65053 | 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 | 65053 | 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 | 73146 | 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 | 73146 | 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 | 100522 | 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 | 100522 | 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 | 62464 | 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 | 62464 | 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 | 14517 | 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 | 14517 | 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 | 113326 | 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 | 113326 | 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 | 113425 | 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 | 113425 | 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 | 211656 | 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 | 211693 | 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 | 211747 | 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 | 173691 | 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 | 173691 | 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 | 94647 | 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 | 94647 | 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 | 162249 | 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 | 162249 | 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 | 105241 | 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 | 105241 | 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 | 178245 | 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 | 178245 | 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 | 101258 | 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 | 101258 | 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 | 186288 | 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 | 186288 | 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 | 62375 | 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 | 62375 | 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 | 65029 | 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 | 65029 | 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 | 100810 | 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 | 100810 | 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 | 100249 | 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 | 100249 | 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 | 67657 | 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 | 67657 | 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 | 67652 | 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 | 67652 | 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 | 50435 | 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 | 50435 | 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 | 187616 | 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 | 187616 | 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 | 173054 | 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 | 173054 | 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 | 211318 | 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 | 10373 | 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 | 10373 | 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 | 97159 | 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 | 97159 | 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 | 67653 | 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 | 67653 | 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 | 73101 | 40 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | ||
CHEMBL2016681 | 73101 | 40 | None | - | 1 | Human | 8.3 | pKi | = | 8.3 | Binding | ChEMBL | 407 | 4 | 2 | 4 | 3.3 | CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(C(F)(F)F)cn2)CC1 | 10.1016/j.bmcl.2012.02.098 | ||
136000678 | 62462 | 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 | 62462 | 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 | 105229 | 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 | 105229 | 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 | 105236 | 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 | 105236 | 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 | 105237 | 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 | 105237 | 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 | 186306 | 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 | 186306 | 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 | 72971 | 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 | 72971 | 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 | 192655 | 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 | 192655 | 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 | 95039 | 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 | 95039 | 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 | 211684 | 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 | 211684 | 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 | 94892 | 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 | 94892 | 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 | 67307 | 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 | 67307 | 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 | 67476 | 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 | 67476 | 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 | 211618 | 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 | 211643 | 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 | 211618 | 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 | 211643 | 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 | 96412 | 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 | 96412 | 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 | 211743 | 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 | 67470 | 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 | 67470 | 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 | 95199 | 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 | 95199 | 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 | 154670 | 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 | 154670 | 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 | 14382 | 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 | 14382 | 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 | 67650 | 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 | 67650 | 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 | 174865 | 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 | 174865 | 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 | 164473 | 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 | 164473 | 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 | 154800 | 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 | 154800 | 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 | 167891 | 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 | 167891 | 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 | 181064 | 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 | 181064 | 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 | 5939 | 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 | 5939 | 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 | 105230 | 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 | 105230 | 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 | 95084 | 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 | 95084 | 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 | 62468 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | ||
CHEMBL1784132 | 62468 | 0 | None | - | 1 | Human | 8.2 | pKi | = | 8.2 | Binding | ChEMBL | 408 | 4 | 1 | 5 | 3.5 | CCn1cc(C2=N[C@@](c3ccc(F)cc3)(c3ccc(F)nc3)[C@H](C)N2)cc(C)c1=O | 10.1016/j.bmc.2009.05.069 | ||
54587390 | 62379 | 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 | 62379 | 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 | 65034 | 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 | 65034 | 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 | 67483 | 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 | 67483 | 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 | 65049 | 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 | 65049 | 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 | 62374 | 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 | 62374 | 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 | 208728 | 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 | 52153 | 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 | 52153 | 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 | 209307 | 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 | 211645 | 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 | 211665 | 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 | 62821 | 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 | 62821 | 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 | 62821 | 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 | 211645 | 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 | 211665 | 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 | 211118 | 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 | 113995 | 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 | 113995 | 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 | 105234 | 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 | 105234 | 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 | 62456 | 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 | 62456 | 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 | 164316 | 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 | 164316 | 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 | 62373 | 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 | 62373 | 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 | 154521 | 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 | 154521 | 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 | 67477 | 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 | 67477 | 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 | 178094 | 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 | 178094 | 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 | 172618 | 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 | 172618 | 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 | 172618 | 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 | 212059 | 14 | None | -275 | 4 | Human | 5.2 | pKi | = | 5.2 | Binding | ChEMBL | None | None | None | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)[C@@H](C)CC | 10.1021/jm010031k | ||||
46913408 | 105244 | 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 | 105244 | 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 | 186199 | 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 | 186199 | 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 | 188357 | 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 | 188357 | 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 | 192589 | 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 | 192589 | 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 | 79235 | 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 | 79235 | 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 | 67647 | 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 | 67647 | 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 | 67481 | 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 | 67481 | 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 | 158935 | 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 | 158935 | 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 | 158935 | 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 | 211627 | 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 | 211627 | 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 | 211719 | 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 | 211757 | 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 | 211783 | 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 | 211719 | 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 | 211757 | 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 | 211783 | 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 | 97177 | 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 | 97177 | 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 | 67662 | 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 | 67662 | 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 | 200875 | 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 | 200875 | 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 | 110142 | 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 | 110142 | 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 | 73140 | 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 | 73140 | 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 | 105232 | 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 | 105232 | 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 | 105243 | 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 | 105243 | 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 | 101294 | 4 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL1435188 | 101294 | 4 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
CHEMBL299879 | 101294 | 4 | None | 2 | 6 | Human | 8.1 | pKi | = | 8.1 | Binding | ChEMBL | 471 | 9 | 2 | 5 | 4.1 | O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[C@H](CNCC2CCc3ccccc3C2)CC1 | 10.1016/s0960-894x(02)00287-1 | ||
9952193 | 100120 | 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 | 100120 | 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 | 65038 | 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 | 65038 | 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 | 62469 | 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 | 62469 | 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 | 62377 | 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 | 62377 | 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 | 62380 | 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 | 62380 | 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 | 186458 | 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 | 186458 | 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 | 97613 | 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 | 97613 | 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 | 72972 | 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 | 72972 | 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 | 67655 | 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 | 67655 | 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 | 51830 | 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 | 51830 | 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 | 67478 | 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 | 67478 | 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 | 178222 | 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 | 178222 | 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 | 97176 | 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 | 97176 | 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 | 73145 | 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 | 73145 | 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 | 188600 | 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 | 188600 | 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 | 73138 | 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 | 73138 | 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 | 65048 | 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 | 65048 | 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 | 154813 | 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 | 154813 | 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 | 105238 | 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 | 105238 | 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 | 105242 | 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 | 105242 | 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 | 65051 | 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 | 65051 | 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 | 53900 | 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 | 53900 | 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 | 100602 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
CHEMBL294822 | 100602 | 2 | None | - | 1 | Human | 7.0 | pKi | = | 7.0 | Binding | ChEMBL | 292 | 1 | 1 | 2 | 3.8 | Cn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21 | 10.1016/s0960-894x(03)00329-9 | ||
9930634 | 178196 | 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 | 178196 | 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 | 192654 | 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 | 192654 | 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 | 65037 | 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 | 65037 | 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 | 214285 | 0 | 125I-hPP | -295 | 13 | Rat | 9.7 | pKi | = | 9.7 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
126455957 | 214283 | 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 | 214287 | 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 | 211672 | 4 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
CHEMBL4281479 | 211672 | 4 | 125I-PYY | -2 | 7 | Human | 9.0 | pKi | = | 9 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
1562 | 886 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
5312114 | 886 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
CHEMBL17645 | 886 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
CHEMBL195380 | 886 | 8 | 125I-hPP | 2 | 2 | Rat | 9.0 | pKi | = | 9.0 | Binding | PDSP KiDatabase | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | None | ||
None | 214285 | 0 | 3H-Propionyl-NPY | -1318 | 13 | Human | 8.9 | pKi | = | 8.9 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
21129772 | 168857 | 3 | 125I-PYY | -309 | 9 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
21129772 | 168857 | 3 | 125I-PYY | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
21129772 | 168857 | 3 | 125I-hPP | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | 125I-PYY | -309 | 9 | Human | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | 125I-PYY | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
CHEMBL44246 | 168857 | 3 | 125I-hPP | -309 | 9 | Rat | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | 473 | 11 | 6 | 4 | 2.6 | N=C(N)NCCCC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1 | None | ||
None | 214285 | 0 | 125I-PYY | -331131 | 13 | Mouse | 6.0 | pKi | = | 6 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
None | 214482 | 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 | 214681 | 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 | 214285 | 0 | 125I-PYY | -1318 | 13 | Human | 8.0 | pKi | = | 8.0 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
None | 214287 | 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 | 214285 | 0 | 125I-PYY | -295 | 13 | Rat | 8.4 | pKi | = | 8.4 | Binding | PDSP KiDatabase | None | None | None | None | None | ||||
None | 214287 | 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 | 211672 | 4 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
CHEMBL4281479 | 211672 | 4 | 125I-PYY | -17 | 7 | Mouse | 8.3 | pKi | = | 8.3 | Binding | PDSP KiDatabase | None | None | None | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)C(C)C | None | ||||
None | 214287 | 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 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 2272 | 0 | None | -25 | 5 | Human | 8.8 | pKi | = | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1549 | 2844 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1549 | 2844 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
155817422 | 2844 | 0 | None | -1 | 5 | Human | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
155817422 | 2844 | 0 | None | -1 | 5 | Rat | 8.9 | pKi | = | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1504 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1518 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1521 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
24868177 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
44288922 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
77068007 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
90479759 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL438945 | 2767 | 7 | None | -9 | 10 | Human | 9.1 | pKi | = | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1504 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1518 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1521 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
24868177 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
44288922 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
77068007 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
90479759 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL438945 | 2767 | 7 | None | -3 | 10 | Rat | 9.3 | pKi | = | 9.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1557 | 2841 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
44328226 | 2841 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL439478 | 2841 | 0 | None | -3 | 3 | Human | 6.2 | pKi | None | 6.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1529 | 1821 | 0 | None | -31622 | 5 | Rat | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
1513 | 2955 | 0 | None | -19952 | 6 | Human | 6.4 | pKi | None | 6.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1513 | 2955 | 0 | None | -15848 | 6 | Rat | 6.5 | pKi | None | 6.5 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1557 | 2841 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
44328226 | 2841 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL439478 | 2841 | 0 | None | 3 | 3 | Rat | 6.7 | pKi | None | 6.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1516 | 3191 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1516 | 3191 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
57339564 | 3191 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
57339564 | 3191 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
91898411 | 3191 | 0 | None | -100 | 5 | Human | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
91898411 | 3191 | 0 | None | -100 | 5 | Rat | 7.1 | pKi | None | 7.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1507 | 2839 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
44351001 | 2839 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
91929182 | 2839 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL265849 | 2839 | 0 | None | -38 | 7 | Human | 7.3 | pKi | None | 7.3 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1565 | 2177 | 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 | 2177 | 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 | 2177 | 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 | 2839 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
44351001 | 2839 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
91929182 | 2839 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL265849 | 2839 | 0 | None | -15 | 7 | Rat | 7.7 | pKi | None | 7.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1510 | 2847 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
155817418 | 2847 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
16142730 | 2847 | 0 | None | -15 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1512 | 2953 | 0 | None | -501 | 6 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1554 | 3193 | 0 | None | -2 | 3 | Human | 8.0 | pKi | None | 8 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1544 | 1472 | 0 | None | -1 | 4 | Human | 8.1 | pKi | None | 8.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1544 | 1472 | 0 | None | 1 | 4 | Rat | 8.2 | pKi | None | 8.2 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1564 | 2081 | 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 | 2081 | 0 | None | - | 1 | Rat | 8.3 | pKi | None | 8.3 | Binding | Guide to Pharmacology | 453 | 8 | 2 | 5 | 4.9 | O=N(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[C@H](CC1)CNc1ccc2c(c1)cccc2 | 12890716 | ||
1560 | 332 | 0 | None | - | 1 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
1554 | 3193 | 0 | None | 2 | 3 | Rat | 8.4 | pKi | None | 8.4 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1527 | 2272 | 0 | None | -31 | 5 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1510 | 2847 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
155817418 | 2847 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
16142730 | 2847 | 0 | None | -3 | 6 | Rat | 8.7 | pKi | None | 8.7 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1561 | 3106 | 0 | None | - | 1 | Human | 8.8 | pKi | None | 8.8 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
1512 | 2953 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
1512 | 2953 | 0 | None | -70 | 6 | Rat | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1515 | 3004 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL269503 | 3004 | 0 | None | -19 | 6 | Human | 8.9 | pKi | None | 8.9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1524 | 2271 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 12890716 | ||||
1524 | 2271 | 0 | None | -1 | 3 | Rat | 9.0 | pKi | None | 9.0 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1515 | 3004 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
CHEMBL269503 | 3004 | 0 | None | -15 | 6 | Rat | 9.0 | pKi | None | 9 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1524 | 2271 | 0 | None | 1 | 3 | Human | 9.1 | pKi | None | 9.1 | Binding | Guide to Pharmacology | None | None | None | None | 8824284 | ||||
1562 | 886 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||
5312114 | 886 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||
CHEMBL17645 | 886 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 | ||
CHEMBL195380 | 886 | 8 | None | 2 | 2 | Rat | 9.5 | pKi | None | 9.5 | Binding | Guide to Pharmacology | 475 | 7 | 3 | 6 | 4.6 | Nc1nc(NCC2CCC(CC2)CNS(=O)(=O)c2cccc3c2cccc3)nc2c1cccc2 | 12890716 |