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 = 'BDBM50460377'   

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))	BDBM50460377 (CHEMBL4225587) Show SMILES CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)CC1CC1 |(8.01,-25.32,;8.01,-23.77,;6.66,-23,;6.66,-21.44,;8.01,-20.64,;9.36,-21.44,;9.36,-23,;8.75,-21.66,;7.65,-22.77,;10.7,-23.77,;10.7,-25.31,;12.03,-26.08,;13.35,-25.31,;12.03,-27.61,;10.7,-28.36,;9.35,-27.58,;10.69,-29.89,;12.02,-30.67,;13.35,-29.89,;13.35,-28.36,;14.69,-27.58,;12.03,-23.01,;12.02,-21.48,;13.35,-20.72,;14.68,-21.48,;14.68,-23.01,;13.35,-23.78,;16.03,-20.7,;15.24,-19.35,;16.81,-19.35,;17.38,-21.48,;18.72,-20.7,;20.28,-20.69,;19.5,-19.34,)| Show InChI InChI=1S/C28H36N2O3S/c1-19-5-4-6-20(2)25(19)27(31)29-26(28-15-13-21(14-16-28)17-30(28)3)23-9-11-24(12-10-23)34(32,33)18-22-7-8-22/h4-6,9-12,21-22,26H,7-8,13-18H2,1-3H3,(H,29,31)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	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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