BDBM50120037 2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-fluoro-methyl]-3-methyl-3H-benzoimidazole-5-carbonyl}-amino)-3-phosphono-propionic acid::CHEMBL317899

SMILES: Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)cc2[nH]1

InChI Key: InChIKey=SMJTYLAXVKJYOO-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 = 50120037   

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)	BDBM50120037 (2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-fluoro...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-14-4-8(19(29)26-13(20(30)31)7-35(32,33)34)2-3-11(14)25-18(28)15(23)17-24-12-6-9(21)5-10(22)16(12)27-17/h2-6,13,15H,7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	660	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)	BDBM50120037 (2-({2-[(4,6-Difluoro-1H-benzoimidazol-2-yl)-fluoro...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)cc2[nH]1 Show InChI InChI=1S/C20H17F3N5O6P/c1-28-14-4-8(19(29)26-13(20(30)31)7-35(32,33)34)2-3-11(14)25-18(28)15(23)17-24-12-6-9(21)5-10(22)16(12)27-17/h2-6,13,15H,7H2,1H3,(H,24,27)(H,26,29)(H,30,31)(H2,32,33,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10E+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