Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent glycine transporter 1' and Ligand = 'BDBM50427181'   

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 1 (Homo sapiens (Human))	BDBM50427181 (CHEMBL2324483) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCCCC1 Show InChI InChI=1S/C22H35ClN4O3S/c1-2-16-31(29,30)27-14-12-26(13-15-27)22(10-5-3-4-6-11-22)17-25-21(28)20-18(23)8-7-9-19(20)24/h7-9H,2-6,10-17,24H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Inhibition of GlyT1a in human JAR cells assessed as inhibition of [3H]glycine uptake by scintillation proximity assay				Bioorg Med Chem Lett 23: 1257-61 (2013) Article DOI: 10.1016/j.bmcl.2013.01.006 BindingDB Entry DOI: 10.7270/Q2WH2RB6
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