BDBM65663 US9693997, 61

SMILES: CC(C)CCS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F

InChI Key: InChIKey=ITRGSBZUKLVMHE-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 = 65663   

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))	BDBM65663 (US9693997, 61) Show SMILES CC(C)CCS(=O)(=O)c1ccc(cc1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;$| Show InChI InChI=1S/C20H21ClF3N5O2S/c1-11(2)7-8-32(30,31)14-5-3-12(4-6-14)17-15(20(22,23)24)9-13(10-16(17)21)26-19-27-18(25)28-29-19/h3-6,9-11H,7-8H2,1-2H3,(H4,25,26,27,28,29)	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	13	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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