BDBM50120008 2-{[3-Methyl-2-(1-methyl-1H-benzoimidazol-2-ylmethyl)-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL106858

SMILES: Cn1c(Cc2nc3ccc(cc3n2C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccccc12

InChI Key: InChIKey=XUHPZELRFORWOX-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 = 50120008   

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)	BDBM50120008 (2-{[3-Methyl-2-(1-methyl-1H-benzoimidazol-2-ylmeth...) Show SMILES Cn1c(Cc2nc3ccc(cc3n2C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccccc12 Show InChI InChI=1S/C21H22N5O6P/c1-25-16-6-4-3-5-13(16)22-18(25)10-19-23-14-8-7-12(9-17(14)26(19)2)20(27)24-15(21(28)29)11-33(30,31)32/h3-9,15H,10-11H2,1-2H3,(H,24,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80E+3	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
Hepatitis C virus serine protease, NS3/NS4A (Hepatitis C virus)	BDBM50120008 (2-{[3-Methyl-2-(1-methyl-1H-benzoimidazol-2-ylmeth...) Show SMILES Cn1c(Cc2nc3ccc(cc3n2C)C(=O)NC(CP(O)(O)=O)C(O)=O)nc2ccccc12 Show InChI InChI=1S/C21H22N5O6P/c1-25-16-6-4-3-5-13(16)22-18(25)10-19-23-14-8-7-12(9-17(14)26(19)2)20(27)24-15(21(28)29)11-33(30,31)32/h3-9,15H,10-11H2,1-2H3,(H,24,27)(H,28,29)(H2,30,31,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.40E+5	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