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 = 'BDBM50080384'   

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)	BDBM50080384 ((R)-1-{2-[1-(3-Methoxy-phenyl)-1-(3-methyl-thiophe...) Show SMILES COc1cccc(c1)C(=N/OCCN1CCC[C@H](C1)C(O)=O)\c1sccc1C Show InChI InChI=1S/C21H26N2O4S/c1-15-8-12-28-20(15)19(16-5-3-7-18(13-16)26-2)22-27-11-10-23-9-4-6-17(14-23)21(24)25/h3,5,7-8,12-13,17H,4,6,9-11,14H2,1-2H3,(H,24,25)/b22-19+/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	87	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
					More data for this Ligand-Target Pair