BDBM50120013 2-{[2-(4,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid::CHEMBL105624

SMILES: Cn1c(Cc2nc3c(F)cc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O

InChI Key: InChIKey=JNVHPQXRSAIPSE-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 = 50120013   

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)	BDBM50120013 (2-{[2-(4,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...) Show SMILES Cn1c(Cc2nc3c(F)cc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-4-9(19(28)25-14(20(29)30)8-34(31,32)33)2-3-12(15)24-17(27)7-16-23-13-6-10(21)5-11(22)18(13)26-16/h2-6,14H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	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)	BDBM50120013 (2-{[2-(4,6-Difluoro-1H-benzoimidazol-2-ylmethyl)-3...) Show SMILES Cn1c(Cc2nc3c(F)cc(F)cc3[nH]2)nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-4-9(19(28)25-14(20(29)30)8-34(31,32)33)2-3-12(15)24-17(27)7-16-23-13-6-10(21)5-11(22)18(13)26-16/h2-6,14H,7-8H2,1H3,(H,23,26)(H,25,28)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.80E+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