BDBM70681 US9693997, 204

SMILES: COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F

InChI Key: InChIKey=CMFIJPPIJLIPHG-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 = 70681   

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))	BDBM70681 (US9693997, 204) Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCNCC1)-c1c(Cl)cc(Nc2n[nH]c(N)n2)cc1C(F)(F)F |$;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;$| Show InChI InChI=1S/C21H23ClF3N7O3S/c1-35-16-3-2-11(8-17(16)36(33,34)32-12-4-6-27-7-5-12)18-14(21(23,24)25)9-13(10-15(18)22)28-20-29-19(26)30-31-20/h2-3,8-10,12,27,32H,4-7H2,1H3,(H4,26,28,29,30,31)	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	11	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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