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 = 'BDBM50404282'   

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))	BDBM50404282 (CHEMBL2112891) Show SMILES CN(Cc1ccccc1C(=O)NCC\C=C\c1ccccc1)C1CCc2cc(O)ccc2C1 Show InChI InChI=1S/C29H32N2O2/c1-31(26-16-14-24-20-27(32)17-15-23(24)19-26)21-25-12-5-6-13-28(25)29(33)30-18-8-7-11-22-9-3-2-4-10-22/h2-7,9-13,15,17,20,26,32H,8,14,16,18-19,21H2,1H3,(H,30,33)/b11-7+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human glycine transporter type 2 (hGlyT2) expressed in Chinese hamster ovary (CHO) cell line				Bioorg Med Chem Lett 14: 545-8 (2003) BindingDB Entry DOI: 10.7270/Q2M9083Z
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