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 = 'BDBM50419237'   

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))	BDBM50419237 (CHEMBL1835886) Show SMILES Fc1cc(F)cc(NC(=O)CN(C2CCCCC2)C(=O)c2ccccc2Cl)c1 Show InChI InChI=1S/C21H21ClF2N2O2/c22-19-9-5-4-8-18(19)21(28)26(17-6-2-1-3-7-17)13-20(27)25-16-11-14(23)10-15(24)12-16/h4-5,8-12,17H,1-3,6-7,13H2,(H,25,27)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GlyT1 expressed in HEK293 cells assessed as inhibition of [3H]glycine uptake by scintillation proximity binding assay				Bioorg Med Chem Lett 21: 6176-9 (2011) Article DOI: 10.1016/j.bmcl.2011.07.096 BindingDB Entry DOI: 10.7270/Q2251KF6
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