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 = 'BDBM50427182'   

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))	BDBM50427182 (CHEMBL2324482) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCCC1 Show InChI InChI=1S/C20H31ClN4O3S/c1-2-14-29(27,28)25-12-10-24(11-13-25)20(8-3-4-9-20)15-23-19(26)18-16(21)6-5-7-17(18)22/h5-7H,2-4,8-15,22H2,1H3,(H,23,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	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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