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 = 'BDBM50439742'   

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 (attus norvegicus (Rat))	BDBM50439742 (CHEMBL2419426) Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N(C)C)c1C |(16.04,-28.67,;14.77,-29.54,;13.38,-28.87,;12.9,-27.41,;11.36,-27.41,;10.88,-28.88,;9.55,-29.64,;8.23,-28.86,;6.89,-29.62,;6.88,-31.16,;8.21,-31.94,;9.55,-31.17,;5.54,-31.92,;4.21,-31.14,;2.88,-31.9,;2.87,-33.44,;4.2,-34.22,;5.54,-33.45,;12.13,-29.78,;12.14,-31.32,;10.81,-32.09,;10.81,-33.64,;12.14,-34.41,;13.48,-33.63,;14.81,-34.4,;14.82,-35.94,;16.15,-33.63,;13.47,-32.08,;14.8,-31.31,)| Show InChI InChI=1S/C25H26N4/c1-5-24-26-27-25(29(24)23-13-9-12-22(18(23)2)28(3)4)21-16-14-20(15-17-21)19-10-7-6-8-11-19/h6-17H,5H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 mins prior to substrate addition measured after 10 mins by scintillati...				J Med Chem 56: 5744-56 (2014) Article DOI: 10.1021/jm400383w BindingDB Entry DOI: 10.7270/Q2D79CVX
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