BDBM50120012 2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-cyclopropylmethyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL432615

SMILES: OC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1

InChI Key: InChIKey=OKJZIZVNNATHRC-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 = 50120012   

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)	BDBM50120012 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-cyclopropylm...) Show SMILES OC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1 Show InChI InChI=1S/C23H24N5O6P/c29-22(27-18(23(30)31)12-35(32,33)34)14-7-8-17-19(9-14)28(11-13-5-6-13)21(26-17)10-20-24-15-3-1-2-4-16(15)25-20/h1-4,7-9,13,18H,5-6,10-12H2,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	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)	BDBM50120012 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-cyclopropylm...) Show SMILES OC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc(Cc3nc4ccccc4[nH]3)n(CC3CC3)c2c1 Show InChI InChI=1S/C23H24N5O6P/c29-22(27-18(23(30)31)12-35(32,33)34)14-7-8-17-19(9-14)28(11-13-5-6-13)21(26-17)10-20-24-15-3-1-2-4-16(15)25-20/h1-4,7-9,13,18H,5-6,10-12H2,(H,24,25)(H,27,29)(H,30,31)(H2,32,33,34)	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 EDTA.				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair