BDBM50120046 2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-methyl-3H-benzoimidazole-5-carbonyl}-amino)-3-phosphono-propionic acid::CHEMBL107328

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

InChI Key: InChIKey=JLFYTDJGSBYOSU-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 = 50120046   

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)	BDBM50120046 (2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-8-10(16(28)23-14(17(29)30)9-34(31,32)33)6-7-13(15)26-19(27)20(21,22)18-24-11-4-2-3-5-12(11)25-18/h2-8,14H,9H2,1H3,(H,23,28)(H,24,25)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	250	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)	BDBM50120046 (2-({2-[(1H-Benzoimidazol-2-yl)-difluoro-methyl]-3-...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)(F)c1nc2ccccc2[nH]1 Show InChI InChI=1S/C20H18F2N5O6P/c1-27-15-8-10(16(28)23-14(17(29)30)9-34(31,32)33)6-7-13(15)26-19(27)20(21,22)18-24-11-4-2-3-5-12(11)25-18/h2-8,14H,9H2,1H3,(H,23,28)(H,24,25)(H,29,30)(H2,31,32,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+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 Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair