BDBM50120034 2-{[3-Methyl-2-(5-trifluoromethyl-1H-benzoimidazol-2-ylmethyl)-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL105828

SMILES: Cn1c(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O

InChI Key: InChIKey=PMFIMEQVXBHDGJ-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 = 50120034   

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)	BDBM50120034 (2-{[3-Methyl-2-(5-trifluoromethyl-1H-benzoimidazol...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H19F3N5O6P/c1-29-16-6-10(19(30)28-15(20(31)32)9-36(33,34)35)2-4-13(16)27-18(29)8-17-25-12-5-3-11(21(22,23)24)7-14(12)26-17/h2-7,15H,8-9H2,1H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	410	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)	BDBM50120034 (2-{[3-Methyl-2-(5-trifluoromethyl-1H-benzoimidazol...) Show SMILES Cn1c(Cc2nc3ccc(cc3[nH]2)C(F)(F)F)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C21H19F3N5O6P/c1-29-16-6-10(19(30)28-15(20(31)32)9-36(33,34)35)2-4-13(16)27-18(29)8-17-25-12-5-3-11(21(22,23)24)7-14(12)26-17/h2-7,15H,8-9H2,1H3,(H,25,26)(H,28,30)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+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 Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair