Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50395361'   

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))	BDBM50395361 (CHEMBL2164380) Show SMILES CC(CC#N)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C21H18F3N3O3/c1-13(10-11-25)27-18(16-4-2-3-5-17(16)20(27)29)19(28)26-12-14-6-8-15(9-7-14)30-21(22,23)24/h2-9,13,18H,10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50395361 (CHEMBL2164380) Show SMILES CC(CC#N)N1C(C(=O)NCc2ccc(OC(F)(F)F)cc2)c2ccccc2C1=O Show InChI InChI=1S/C21H18F3N3O3/c1-13(10-11-25)27-18(16-4-2-3-5-17(16)20(27)29)19(28)26-12-14-6-8-15(9-7-14)30-21(22,23)24/h2-9,13,18H,10,12H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay				J Med Chem 55: 6866-80 (2012) Article DOI: 10.1021/jm300623u BindingDB Entry DOI: 10.7270/Q2M909SB
					More data for this Ligand-Target Pair