BDBM50120040 2-({2-[(5,6-Difluoro-1H-benzoimidazol-2-yl)-difluoro-methyl]-3-methyl-3H-benzoimidazole-5-carbonyl}-amino)-3-phosphono-propionic acid::CHEMBL105448

SMILES: Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2cc(F)c(F)cc2[nH]1

InChI Key: InChIKey=DHJSFQWAEHBTIR-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 = 50120040   

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)	BDBM50120040 (2-({2-[(5,6-Difluoro-1H-benzoimidazol-2-yl)-difluo...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2cc(F)c(F)cc2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-15-4-8(16(30)25-14(17(31)32)7-36(33,34)35)2-3-11(15)28-19(29)20(23,24)18-26-12-5-9(21)10(22)6-13(12)27-18/h2-6,14H,7H2,1H3,(H,25,30)(H,26,27)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+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)	BDBM50120040 (2-({2-[(5,6-Difluoro-1H-benzoimidazol-2-yl)-difluo...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2cc(F)c(F)cc2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-15-4-8(16(30)25-14(17(31)32)7-36(33,34)35)2-3-11(15)28-19(29)20(23,24)18-26-12-5-9(21)10(22)6-13(12)27-18/h2-6,14H,7H2,1H3,(H,25,30)(H,26,27)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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