Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM50023589'   

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 5 subunit alpha (Homo sapiens (Human))	BDBM50023589 (CHEMBL3355573) Show SMILES [H][C@@]1(CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1)[C@@H](N)Cn1c2cc(F)ccc2ncc1=O |r,wU:20.23,wD:4.7,1.0,(25.26,-46.78,;23.93,-46.02,;22.6,-45.26,;22.59,-43.72,;23.93,-42.94,;25.26,-43.71,;25.27,-45.24,;23.92,-41.4,;25.26,-40.63,;26.59,-41.4,;26.58,-42.95,;27.92,-43.71,;29.25,-42.94,;30.58,-43.71,;31.92,-42.94,;31.92,-41.39,;33.25,-40.62,;30.58,-40.61,;29.24,-41.39,;27.91,-40.63,;23.94,-47.56,;25.28,-48.32,;22.61,-48.34,;22.62,-49.88,;21.29,-50.66,;19.95,-49.9,;18.62,-50.67,;17.29,-49.9,;18.62,-52.21,;19.96,-52.98,;21.29,-52.22,;22.63,-52.99,;23.98,-52.21,;23.97,-50.65,;25.3,-49.88,)| Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.33E+5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of potassium channel Nav1.5 (unknown origin)				Bioorg Med Chem 22: 5392-409 (2014) Article DOI: 10.1016/j.bmc.2014.07.040 BindingDB Entry DOI: 10.7270/Q2VQ3480
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