BDBM65589 US9693997, 7

SMILES: CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)CC1

InChI Key: InChIKey=JYWCGEYRPJNPSH-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 65589   

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
HCV NS3-NS4A Serine Proteinase (Hepatitis C virus (HCV genotype 1a, isolate H))	BDBM65589 (US9693997, 7) Show SMILES CC(C)(C)OC(=O)N1CCC(CS(=O)(=O)c2ccc(cc2)-c2c(Cl)cc(Nc3n[nH]c(N)n3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30ClF3N6O4S/c1-25(2,3)40-24(37)36-10-8-15(9-11-36)14-41(38,39)18-6-4-16(5-7-18)21-19(26(28,29)30)12-17(13-20(21)27)32-23-33-22(31)34-35-23/h4-7,12-13,15H,8-11,14H2,1-3H3,(H4,31,32,33,34,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
HOFFMANN-LA ROCHE INC. US Patent					Assay Description Plasmids expressing HCV E1 and E2 envelope proteins of GT1a H77 strain (Proc Natl Acad Sci USA 1997 94:8738-43) or GT1b Con1 strain (Science 1999 285...				US Patent US9693997 (2017) BindingDB Entry DOI: 10.7270/Q2833Q56
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