BDBM70648 US9693997, 175

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

InChI Key: InChIKey=YVYYMHFDNIMYOF-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 = 70648   

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))	BDBM70648 (US9693997, 175) Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;HN;;;;;;;;;HN;;;;;;;;;;;;$| Show InChI InChI=1S/C18H18ClF3N6O4S/c1-32-13-3-2-9(6-14(13)33(30,31)24-4-5-29)15-11(18(20,21)22)7-10(8-12(15)19)25-17-26-16(23)27-28-17/h2-3,6-8,24,29H,4-5H2,1H3,(H4,23,25,26,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	18	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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