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 = 'BDBM50439743'   

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))	BDBM50439743 (CHEMBL2419425) Show SMILES CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N)c1C |(37.67,-16.43,;36.4,-17.3,;35.01,-16.63,;34.53,-15.17,;32.99,-15.17,;32.52,-16.64,;31.19,-17.4,;29.86,-16.61,;28.53,-17.37,;28.51,-18.92,;29.85,-19.69,;31.18,-18.93,;27.18,-19.68,;25.85,-18.9,;24.51,-19.66,;24.5,-21.2,;25.84,-21.98,;27.17,-21.21,;33.77,-17.54,;33.77,-19.08,;32.45,-19.85,;32.44,-21.39,;33.78,-22.16,;35.12,-21.39,;36.45,-22.16,;35.11,-19.84,;36.44,-19.07,)| Show InChI InChI=1S/C23H22N4/c1-3-22-25-26-23(27(22)21-11-7-10-20(24)16(21)2)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3,24H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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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