BDBM50120033 2-[(2-{Difluoro-[6-(1-methoxycarbonyl-2-phosphono-ethylcarbamoyl)-1-methyl-1H-benzoimidazol-2-yl]-methyl}-3H-benzoimidazole-5-carbonyl)-amino]-3-phosphono-propionic acid methyl ester::CHEMBL107274

SMILES: COC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(=O)OC

InChI Key: InChIKey=JEEOSKSHTOPGLW-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 = 50120033   

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)	BDBM50120033 (2-[(2-{Difluoro-[6-(1-methoxycarbonyl-2-phosphono-...) Show SMILES COC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(=O)OC Show InChI InChI=1S/C26H28F2N6O12P2/c1-34-19-9-13(21(36)30-18(23(38)46-3)11-48(42,43)44)5-7-15(19)33-25(34)26(27,28)24-31-14-6-4-12(8-16(14)32-24)20(35)29-17(22(37)45-2)10-47(39,40)41/h4-9,17-18H,10-11H2,1-3H3,(H,29,35)(H,30,36)(H,31,32)(H2,39,40,41)(H2,42,43,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	277	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)	BDBM50120033 (2-[(2-{Difluoro-[6-(1-methoxycarbonyl-2-phosphono-...) Show SMILES COC(=O)C(CP(O)(O)=O)NC(=O)c1ccc2nc([nH]c2c1)C(F)(F)c1nc2ccc(cc2n1C)C(=O)NC(CP(O)(O)=O)C(=O)OC Show InChI InChI=1S/C26H28F2N6O12P2/c1-34-19-9-13(21(36)30-18(23(38)46-3)11-48(42,43)44)5-7-15(19)33-25(34)26(27,28)24-31-14-6-4-12(8-16(14)32-24)20(35)29-17(22(37)45-2)10-47(39,40)41/h4-9,17-18H,10-11H2,1-3H3,(H,29,35)(H,30,36)(H,31,32)(H2,39,40,41)(H2,42,43,44)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+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