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 = 'BDBM50164064'   

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))	BDBM50164064 ((1S,2S)-Cyclobutane-1,2-dicarboxylic acid 1-[([2,2...) Show SMILES NS(=O)(=O)c1ccccc1-c1ccc(CNC(=O)[C@H]2CC[C@@H]2C(=O)NCc2ccc(s2)-c2cccs2)cc1 Show InChI InChI=1S/C28H27N3O4S3/c29-38(34,35)26-6-2-1-4-21(26)19-9-7-18(8-10-19)16-30-27(32)22-12-13-23(22)28(33)31-17-20-11-14-25(37-20)24-5-3-15-36-24/h1-11,14-15,22-23H,12-13,16-17H2,(H,30,32)(H,31,33)(H2,29,34,35)/t22-,23-/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	210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory concentration against voltage-gated sodium channel Nav1.7 in voltage-ion-probe-reader (VIPR) assay				Bioorg Med Chem Lett 15: 1901-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.002 BindingDB Entry DOI: 10.7270/Q2HH6JMD
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