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 = 'BDBM50460362'   

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))	BDBM50460362 (CHEMBL4226079) Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1cccc(c1Cl)C(F)(F)F)c1ccccc1C |(20.57,-7.71,;20.57,-6.15,;19.22,-5.38,;19.22,-3.81,;20.57,-3.02,;21.93,-3.81,;21.93,-5.38,;21.31,-4.04,;20.21,-5.15,;23.28,-6.16,;23.28,-7.7,;24.61,-8.47,;25.94,-7.7,;24.61,-10.01,;23.27,-10.77,;23.27,-12.3,;24.6,-13.08,;25.93,-12.3,;25.93,-10.77,;27.26,-10,;27.27,-13.06,;28.6,-13.83,;28.6,-12.29,;27.27,-14.61,;24.61,-5.39,;25.94,-6.17,;27.27,-5.4,;27.27,-3.86,;25.93,-3.09,;24.6,-3.86,;23.25,-3.08,)| Show InChI InChI=1S/C24H26ClF3N2O/c1-15-6-3-4-7-17(15)21(23-12-10-16(11-13-23)14-30(23)2)29-22(31)18-8-5-9-19(20(18)25)24(26,27)28/h3-9,16,21H,10-14H2,1-2H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	514	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human GlyT1 expressed in CHO cells assessed as reduction in [3H]glycine uptake pretreated for 15 mins followed by [3H]glyci...				Bioorg Med Chem Lett 28: 1043-1049 (2018) Article DOI: 10.1016/j.bmcl.2018.02.029 BindingDB Entry DOI: 10.7270/Q26112ZK
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