BDBM70680 US9693997, 203

SMILES: COc1ccc(cc1S(=O)(=O)N1CCCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F

InChI Key: InChIKey=CKLXMWIIFVXGDS-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 = 70680   

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))	BDBM70680 (US9693997, 203) Show SMILES COc1ccc(cc1S(=O)(=O)N1CCCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$| Show InChI InChI=1S/C20H20ClF3N6O3S/c1-33-15-5-4-11(8-16(15)34(31,32)30-6-2-3-7-30)17-13(20(22,23)24)9-12(10-14(17)21)26-19-27-18(25)28-29-19/h4-5,8-10H,2-3,6-7H2,1H3,(H4,25,26,27,28,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	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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