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 = 'BDBM50250288'   

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 (Homo sapiens (Human))	BDBM50250288 (CHEMBL4070660) Show SMILES Clc1ccc(C(=O)NC2CCN(Cc3ccc(I)cc3)CC2)c(Cl)c1 Show InChI InChI=1S/C19H19Cl2IN2O/c20-14-3-6-17(18(21)11-14)19(25)23-16-7-9-24(10-8-16)12-13-1-4-15(22)5-2-13/h1-6,11,16H,7-10,12H2,(H,23,25)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, University of Copenhagen , 2100 Copenhagen, Denmark. Curated by ChEMBL					Assay Description Inhibition of human GAT3 expresses in tsA201 cells assessed as reduction in [3H]GABA uptake after 3 mins by scintillation counting method				J Med Chem 60: 8834-8846 (2017) Article DOI: 10.1021/acs.jmedchem.7b00924 BindingDB Entry DOI: 10.7270/Q2M61NN1
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