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 = 'BDBM50418784'   

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))	BDBM50418784 (CHEMBL1797399) Show SMILES Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(C)cccc1C |(33.16,-37.18,;32.26,-38.43,;30.72,-38.43,;30.24,-39.9,;31.49,-40.81,;32.74,-39.89,;34.2,-40.36,;35.52,-39.57,;35.49,-38.03,;36.87,-40.31,;38.19,-39.52,;39.54,-40.27,;39.55,-41.81,;38.23,-42.6,;40.9,-42.55,;42.22,-41.76,;42.19,-40.21,;40.84,-39.47,;40.81,-37.93,;31.5,-42.35,;30.17,-43.12,;28.83,-42.35,;30.17,-44.66,;31.5,-45.44,;32.84,-44.66,;32.83,-43.11,;34.16,-42.34,)| Show InChI InChI=1S/C20H18ClFN2O3/c1-11-6-4-7-12(2)17(11)19-18(13(3)27-24-19)23-20(25)26-10-14-15(21)8-5-9-16(14)22/h4-9H,10H2,1-3H3,(H,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay				Bioorg Med Chem Lett 21: 3871-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.041 BindingDB Entry DOI: 10.7270/Q21837RK
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