BDBM50120030 2-({2-[Fluoro-(4,6,7-trifluoro-1H-benzoimidazol-2-yl)-methyl]-3-methyl-3H-benzoimidazole-5-carbonyl}-amino)-3-phosphono-propionic acid::CHEMBL107579

SMILES: Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)c(F)c2[nH]1

InChI Key: InChIKey=CVOFRTRGRUZDMM-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 = 50120030   

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)	BDBM50120030 (2-({2-[Fluoro-(4,6,7-trifluoro-1H-benzoimidazol-2-...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-12-4-7(19(30)26-11(20(31)32)6-36(33,34)35)2-3-10(12)25-18(29)14(24)17-27-15-9(22)5-8(21)13(23)16(15)28-17/h2-5,11,14H,6H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	550	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)	BDBM50120030 (2-({2-[Fluoro-(4,6,7-trifluoro-1H-benzoimidazol-2-...) Show SMILES Cn1c(nc2ccc(cc12)C(=O)NC(CP(O)(O)=O)C(O)=O)C(F)c1nc2c(F)cc(F)c(F)c2[nH]1 Show InChI InChI=1S/C20H16F4N5O6P/c1-29-12-4-7(19(30)26-11(20(31)32)6-36(33,34)35)2-3-10(12)25-18(29)14(24)17-27-15-9(22)5-8(21)13(23)16(15)28-17/h2-5,11,14H,6H2,1H3,(H,26,30)(H,27,28)(H,31,32)(H2,33,34,35)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.20E+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 Zn				Bioorg Med Chem Lett 12: 3129-33 (2002) BindingDB Entry DOI: 10.7270/Q25D8R64
					More data for this Ligand-Target Pair