Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 2' and Ligand = 'BDBM50248652'   

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- and chloride-dependent glycine transporter 2 (Homo sapiens (Human))	BDBM50248652 (CHEMBL465129 | N-((4-(6-methoxypyridin-2-yl)-1-(pr...) Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2)(CC1)c1cccc(OC)n1 Show InChI InChI=1S/C22H29N3O4S/c1-3-16-30(27,28)25-14-12-22(13-15-25,19-10-7-11-20(24-19)29-2)17-23-21(26)18-8-5-4-6-9-18/h4-11H,3,12-17H2,1-2H3,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of glycine transporter 2				Bioorg Med Chem Lett 19: 1488-91 (2009) Article DOI: 10.1016/j.bmcl.2008.12.115 BindingDB Entry DOI: 10.7270/Q2V124P3
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