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 = 'BDBM50195167'   

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))	BDBM50195167 (4-fluoro-N-((4-(morpholine-4-carbonyl)-1-(propylsu...) Show SMILES CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(F)cc2C(F)(F)F)(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H29F4N3O5S/c1-2-13-35(32,33)29-7-5-21(6-8-29,20(31)28-9-11-34-12-10-28)15-27-19(30)17-4-3-16(23)14-18(17)22(24,25)26/h3-4,14H,2,5-13,15H2,1H3,(H,27,30)	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 and Co. Curated by ChEMBL					Assay Description Inhibition of human GlyT2				Bioorg Med Chem Lett 16: 5968-72 (2006) Article DOI: 10.1016/j.bmcl.2006.08.131 BindingDB Entry DOI: 10.7270/Q2C82B31
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