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SMILES: OCC(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12

InChI Key: InChIKey=MACFDTOBTZJXCF-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 196456   

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
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM196456 (US10202344, Compound 51 | US9212139, 51) Show SMILES OCC(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O3/c25-24(26,27)21-10-9-18(11-15(21)12-28)32-17-7-5-16(6-8-17)29-13-20(23(31)14-30)19-3-1-2-4-22(19)29/h1-11,13,23,30-31H,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...				US Patent US10202344 (2019) BindingDB Entry DOI: 10.7270/Q2X350KJ
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM196456 (US10202344, Compound 51 | US9212139, 51) Show SMILES OCC(O)c1cn(-c2ccc(Oc3ccc(c(c3)C#N)C(F)(F)F)cc2)c2ccccc12 Show InChI InChI=1S/C24H17F3N2O3/c25-24(26,27)21-10-9-18(11-15(21)12-28)32-17-7-5-16(6-8-17)29-13-20(23(31)14-30)19-3-1-2-4-22(19)29/h1-11,13,23,30-31H,14H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	260	n/a	n/a	n/a	n/a	7.3	n/a
Purdue Pharma, L.P. US Patent					Assay Description Assay Buffer: The assay buffer was formulated by removing 120 mL from a 1 L bottle of fresh, sterile dH2O (Mediatech, Herndon, Va.) and adding 100 mL...				US Patent US9212139 (2015) BindingDB Entry DOI: 10.7270/Q26Q1W19
					More data for this Ligand-Target Pair