BDBM50120031 2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isobutyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL323079

SMILES: CC(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O

InChI Key: InChIKey=SLYQXZVIAACVML-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 = 50120031   

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)	BDBM50120031 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isobutyl-3H-...) Show SMILES CC(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C23H26N5O6P/c1-13(2)11-28-19-9-14(22(29)27-18(23(30)31)12-35(32,33)34)7-8-17(19)26-21(28)10-20-24-15-5-3-4-6-16(15)25-20/h3-9,13,18H,10-12H2,1-2H3,(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	370	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)	BDBM50120031 (2-{[2-(1H-Benzoimidazol-2-ylmethyl)-3-isobutyl-3H-...) Show SMILES CC(C)Cn1c(Cc2nc3ccccc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C23H26N5O6P/c1-13(2)11-28-19-9-14(22(29)27-18(23(30)31)12-35(32,33)34)7-8-17(19)26-21(28)10-20-24-15-5-3-4-6-16(15)25-20/h3-9,13,18H,10-12H2,1-2H3,(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	>3.00E+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