Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium- and chloride-dependent GABA transporter 2' and Ligand = 'BDBM50250272'   

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 2 (Homo sapiens (Human))	BDBM50250272 (CHEMBL4078727) Show SMILES FC(F)(F)c1cccc(c1)C(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C20H21F3N2O/c21-20(22,23)17-8-4-7-16(13-17)19(26)24-18-9-11-25(12-10-18)14-15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2,(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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 GAT2 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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