Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM190561'   

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))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	347	-38.4	n/a	n/a	n/a	n/a	n/a	n/a	37
Purdue Pharma L.P. US Patent					Assay Description Cells: The hNav1.7 expressing HEK-293 cells were plated on 35 mm culture dishes pre-coated with poly-D-lysine in standard DMEM culture media (Media...				US Patent US9181185 (2015) BindingDB Entry DOI: 10.7270/Q2PC315D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	347	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by electrophysiology method				Bioorg Med Chem Lett 24: 3690-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.038 BindingDB Entry DOI: 10.7270/Q2KS6VJM
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description For electrophysiological recordings the external solution was either standard, DMEM supplemented with 10 mM HEPES (pH adjusted to 7.34 with NaOH and ...				US Patent US9624194 (2017) BindingDB Entry DOI: 10.7270/Q2BP04VG
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Nav1.7 expressed in HEK293 cells by FLIPR method				Bioorg Med Chem Lett 24: 3690-9 (2014) Article DOI: 10.1016/j.bmcl.2014.06.038 BindingDB Entry DOI: 10.7270/Q2KS6VJM
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	37
Purdue Pharma L.P. US Patent					Assay Description FLIPR® or FLIPRTETRA® Sodium Dye Assay with KCl and Test Article Pre-Incubation: Cells were prepared by plating the recombinant HEK293 cells or other...				US Patent US9181185 (2015) BindingDB Entry DOI: 10.7270/Q2PC315D
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM190561 (US9181185, 19 | US9624194, Compound 19) Show SMILES NC(=O)[C@H](O)[C@@H](O)c1cccc(n1)-c1ccc(Oc2ccc(c(c2)C#N)C(F)(F)F)cc1 Show InChI InChI=1S/C22H16F3N3O4/c23-22(24,25)16-9-8-15(10-13(16)11-26)32-14-6-4-12(5-7-14)17-2-1-3-18(28-17)19(29)20(30)21(27)31/h1-10,19-20,29-30H,(H2,27,31)/t19-,20+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	244	n/a	n/a	n/a	n/a	n/a	n/a
Purdue Pharma L.P. US Patent					Assay Description Recombinant Nav1.7 Cell Line: In vitro assays were performed in a recombinant cell line expressing cDNA encoding the alpha subunit (Nav1.7, SCN9a, PN...				US Patent US9624194 (2017) BindingDB Entry DOI: 10.7270/Q2BP04VG
					More data for this Ligand-Target Pair