Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 3' and Ligand = 'BDBM50491707'   

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 3 (Mus musculus)	BDBM50491707 (CHEMBL2387677) Show SMILES OC(=O)C1CCCN(CCO\C=C/c2cc(F)ccc2Cc2ccccc2F)C1 Show InChI InChI=1S/C23H25F2NO3/c24-21-8-7-17(14-19-4-1-2-6-22(19)25)18(15-21)9-12-29-13-11-26-10-3-5-20(16-26)23(27)28/h1-2,4,6-9,12,15,20H,3,5,10-11,13-14,16H2,(H,27,28)/b12-9-	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ludwig-Maximilians-University Munich Curated by ChEMBL					Assay Description Inhibition of mouse GAT3 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis				Bioorg Med Chem 21: 3363-78 (2013) Article DOI: 10.1016/j.bmc.2013.02.056 BindingDB Entry DOI: 10.7270/Q23N269C
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