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 = 'BDBM50216673'   

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))	BDBM50216673 (CHEMBL246195 | tert-butyl (R)-1-((R)-1-methyl-2-ox...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)[C@@H](CCc2ccccc2)NC(=O)OC(C)(C)C)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C31H34N4O4/c1-31(2,3)39-30(38)32-24(20-19-21-13-7-5-8-14-21)28(36)34-27-29(37)35(4)25-18-12-11-17-23(25)26(33-27)22-15-9-6-10-16-22/h5-18,24,27H,19-20H2,1-4H3,(H,32,38)(H,34,36)/t24-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Blockade of human Nav1.7 by FRET assay				Bioorg Med Chem Lett 17: 4630-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.076 BindingDB Entry DOI: 10.7270/Q2HX1CCF
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