Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50212224'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50212224 (CHEMBL3949548) Show SMILES COc1cc(c(F)cc1-n1c2CCN(Cc2ccc1=O)S(=O)(=O)Nc1cccnn1)-c1cc(Cl)cc(OC(F)(F)F)c1 |(5.02,-34.69,;5.04,-33.16,;6.37,-32.38,;7.71,-33.15,;9.04,-32.37,;9.03,-30.82,;10.36,-30.04,;7.69,-30.06,;6.37,-30.84,;5.03,-30.08,;5.02,-28.55,;6.35,-27.79,;6.35,-26.25,;5.02,-25.47,;3.69,-26.25,;3.69,-27.79,;2.37,-28.55,;2.37,-30.09,;3.7,-30.85,;3.71,-32.39,;5.01,-23.93,;3.47,-23.92,;4.25,-22.59,;6.36,-23.15,;6.36,-21.61,;5.03,-20.85,;5.03,-19.31,;6.37,-18.53,;7.7,-19.31,;7.7,-20.85,;10.38,-33.13,;11.7,-32.35,;13.04,-33.11,;14.37,-32.32,;13.05,-34.66,;11.72,-35.44,;11.73,-36.98,;10.4,-37.75,;9.18,-38.46,;8.88,-37.19,;10.14,-39.34,;10.38,-34.67,)| Show InChI InChI=1S/C26H20ClF4N5O5S/c1-40-23-12-19(16-9-17(27)11-18(10-16)41-26(29,30)31)20(28)13-22(23)36-21-6-8-35(14-15(21)4-5-25(36)37)42(38,39)34-24-3-2-7-32-33-24/h2-5,7,9-13H,6,8,14H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Temple University Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells at holding potential yielding 20 to 50% inactivation measured after 3 mins by patchXpress electr...				ACS Med Chem Lett 8: 278-280 (2017) Article DOI: 10.1021/acsmedchemlett.7b00049 BindingDB Entry DOI: 10.7270/Q2QJ7KF5
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