BDBM50120019 2-{[3-Methyl-2-(4,6,7-trifluoro-1H-benzoimidazol-2-ylmethyl)-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL325129

SMILES: Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O

InChI Key: InChIKey=WNJGCPAHOSJXNM-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50120019   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50120019 (2-{[3-Methyl-2-(4,6,7-trifluoro-1H-benzoimidazol-2...) Show SMILES Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)25-12(20(30)31)7-35(32,33)34)2-3-11(13)24-15(28)6-14-26-17-10(22)5-9(21)16(23)18(17)27-14/h2-5,12H,6-7H2,1H3,(H,25,29)(H,26,27)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50120019 (2-{[3-Methyl-2-(4,6,7-trifluoro-1H-benzoimidazol-2...) Show SMILES Cn1c(Cc2nc3c(F)cc(F)c(F)c3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H17F3N5O6P/c1-28-13-4-8(19(29)25-12(20(30)31)7-35(32,33)34)2-3-11(13)24-15(28)6-14-26-17-10(22)5-9(21)16(23)18(17)27-14/h2-5,12H,6-7H2,1H3,(H,25,29)(H,26,27)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Celera Curated by ChEMBL					Assay Description Inhibition of HCV serine protease NS3/NS4A in the presence of EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair