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 = 'BDBM50164044'   

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))	BDBM50164044 ((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-(4-me...) Show SMILES COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C28H31N3O5S/c1-36-22-15-11-20(12-16-22)18-31-28(33)25-7-4-6-24(25)27(32)30-17-19-9-13-21(14-10-19)23-5-2-3-8-26(23)37(29,34)35/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,30,32)(H,31,33)(H2,29,34,35)/t24-,25-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory constant against voltage-gated sodium channel Nav1.7 in electrophysiology assays (EP)				Bioorg Med Chem Lett 15: 1901-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.002 BindingDB Entry DOI: 10.7270/Q2HH6JMD
					More data for this Ligand-Target Pair
Sodium channel protein type 9 subunit alpha (Homo sapiens (Human))	BDBM50164044 ((1S,2S)-Cyclopentane-1,2-dicarboxylic acid 1-(4-me...) Show SMILES COc1ccc(CNC(=O)[C@H]2CCC[C@@H]2C(=O)NCc2ccc(cc2)-c2ccccc2S(N)(=O)=O)cc1 Show InChI InChI=1S/C28H31N3O5S/c1-36-22-15-11-20(12-16-22)18-31-28(33)25-7-4-6-24(25)27(32)30-17-19-9-13-21(14-10-19)23-5-2-3-8-26(23)37(29,34)35/h2-3,5,8-16,24-25H,4,6-7,17-18H2,1H3,(H,30,32)(H,31,33)(H2,29,34,35)/t24-,25-/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	5.00E+3	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
					More data for this Ligand-Target Pair