Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 1' and Ligand = 'BDBM50080363'   

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 GABA transporter 1 (Rattus norvegicus)	BDBM50080363 ((R)-1-{2-[1-(4-Chloro-2-methyl-phenyl)-1-(3-methyl...) Show SMILES Cc1ccsc1\C(=N\OCCN1CCC[C@H](C1)C(O)=O)c1ccc(Cl)cc1C Show InChI InChI=1S/C21H25ClN2O3S/c1-14-7-11-28-20(14)19(18-6-5-17(22)12-15(18)2)23-27-10-9-24-8-3-4-16(13-24)21(25)26/h5-7,11-12,16H,3-4,8-10,13H2,1-2H3,(H,25,26)/b23-19+/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes				J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV
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