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 = 'BDBM50322454'   

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))	BDBM50322454 (4-[4-(2-Ethoxy-5-methanesulfonyl-benzoyl)-piperazi...) Show SMILES CCOc1ccc(cc1C(=O)N1CCN(CC1)c1ccc(cc1F)C#N)S(C)(=O)=O Show InChI InChI=1S/C21H22FN3O4S/c1-3-29-20-7-5-16(30(2,27)28)13-17(20)21(26)25-10-8-24(9-11-25)19-6-4-15(14-23)12-18(19)22/h4-7,12-13H,3,8-11H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Inhibition of human GlyT2 expressed in CHO cells assessed as inhibition of [3H]glycine uptake by liquid scintillation counting				J Med Chem 53: 4603-14 (2010) Article DOI: 10.1021/jm100210p BindingDB Entry DOI: 10.7270/Q28916TT
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