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 = 'BDBM50103582'   

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))	BDBM50103582 (CHEMBL3337593) Show SMILES COc1ccc-2c(NC3(CCC(CC3)NC(=O)c3ccc(OC)c(c3)N(C)C)c3cccn-23)c1 |(2.7,-10.77,;4.03,-9.99,;5.36,-10.76,;5.36,-12.31,;6.7,-13.08,;8.03,-12.3,;8.03,-10.76,;9.36,-9.98,;10.7,-10.76,;12.03,-11.53,;13.36,-10.76,;13.36,-9.23,;12.03,-8.46,;10.7,-9.22,;14.7,-8.46,;14.7,-6.92,;13.37,-6.15,;16.04,-6.16,;16.04,-4.62,;17.37,-3.85,;18.71,-4.63,;20.04,-3.86,;21.37,-4.63,;18.7,-6.17,;17.37,-6.93,;20.03,-6.94,;20.03,-8.48,;21.37,-6.18,;10.7,-12.31,;11.84,-13.35,;11.21,-14.76,;9.67,-14.59,;9.36,-13.08,;6.69,-9.99,)| Show InChI InChI=1S/C27H32N4O3/c1-30(2)23-16-18(7-10-24(23)34-4)26(32)28-19-11-13-27(14-12-19)25-6-5-15-31(25)22-9-8-20(33-3)17-21(22)29-27/h5-10,15-17,19,29H,11-14H2,1-4H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells after 60 mins by FLIPR assay				Bioorg Med Chem Lett 24: 4958-62 (2014) Article DOI: 10.1016/j.bmcl.2014.09.038 BindingDB Entry DOI: 10.7270/Q21Z465T
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