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 = 'BDBM50427199'   

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))	BDBM50427199 (CHEMBL2324481) Show SMILES CCCS(=O)(=O)N1CCN(CC1)C1(CNC(=O)c2c(N)cccc2Cl)CCC1 Show InChI InChI=1S/C19H29ClN4O3S/c1-2-13-28(26,27)24-11-9-23(10-12-24)19(7-4-8-19)14-22-18(25)17-15(20)5-3-6-16(17)21/h3,5-6H,2,4,7-14,21H2,1H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	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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