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 = 'BDBM50491724'   

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)	BDBM50491724 (CHEMBL2387679) Show SMILES OC(=O)C1CCCN(CCO\C=C\c2ccccc2C(=O)c2ccccc2)C1 Show InChI InChI=1S/C23H25NO4/c25-22(19-8-2-1-3-9-19)21-11-5-4-7-18(21)12-15-28-16-14-24-13-6-10-20(17-24)23(26)27/h1-5,7-9,11-12,15,20H,6,10,13-14,16-17H2,(H,26,27)/b15-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+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 GAT1 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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