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 = 'BDBM50248013'   

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))	BDBM50248013 ((S)-N-(1-(1-(propylsulfonyl)-4-(pyridin-2-yl)piper...) Show SMILES CCCS(=O)(=O)N1CCC(CC1)([C@H](C)NC(=O)c1ccccc1OC(F)(F)F)c1ccccn1 |r| Show InChI InChI=1S/C23H28F3N3O4S/c1-3-16-34(31,32)29-14-11-22(12-15-29,20-10-6-7-13-27-20)17(2)28-21(30)18-8-4-5-9-19(18)33-23(24,25)26/h4-10,13,17H,3,11-12,14-16H2,1-2H3,(H,28,30)/t17-/m0/s1	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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