BDBM50120026 2-[2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-methyl-3H-benzoimidazole-5-carbonyl}-amino)-3-phosphono-propionylamino]-3-phosphono-propionic acid::CHEMBL106859

SMILES: Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1

InChI Key: InChIKey=NPAOZMMZEIEAMU-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 = 50120026   

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)	BDBM50120026 (2-[2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H24F2N6O10P2/c1-31-17-8-11(6-7-14(17)30-22(31)23(24,25)21-28-12-4-2-3-5-13(12)29-21)18(32)26-15(9-42(36,37)38)19(33)27-16(20(34)35)10-43(39,40)41/h2-8,15-16H,9-10H2,1H3,(H,26,32)(H,27,33)(H,28,29)(H,34,35)(H2,36,37,38)(H2,39,40,41)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	820	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)	BDBM50120026 (2-[2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C23H24F2N6O10P2/c1-31-17-8-11(6-7-14(17)30-22(31)23(24,25)21-28-12-4-2-3-5-13(12)29-21)18(32)26-15(9-42(36,37)38)19(33)27-16(20(34)35)10-43(39,40)41/h2-8,15-16H,9-10H2,1H3,(H,26,32)(H,27,33)(H,28,29)(H,34,35)(H2,36,37,38)(H2,39,40,41)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.96E+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