Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 1/GABA transporter 2/GABA transporter 3/betaine transporter' and Ligand = 'BDBM50225363'   

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/GABA transporter 2/GABA transporter 3/betaine transporter (Rattus norvegicus)	BDBM50225363 (CHEMBL40363) Show SMILES NCC1CC(=O)NO1 Show InChI InChI=1S/C4H8N2O2/c5-2-3-1-4(7)6-8-3/h3H,1-2,5H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of GABA uptake in rat brain synaptic membranes				J Med Chem 28: 1612-7 (1985) BindingDB Entry DOI: 10.7270/Q2PN94NZ
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