Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50331529'   

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-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50331529 (4-Methoxylbenzyl 4-(3,4-dichlorophenyl)piperidine-...) Show SMILES COc1ccc(COC(=O)C2(CCNCC2)c2ccc(Cl)c(Cl)c2)cc1 Show InChI InChI=1S/C20H21Cl2NO3/c1-25-16-5-2-14(3-6-16)13-26-19(24)20(8-10-23-11-9-20)15-4-7-17(21)18(22)12-15/h2-7,12,23H,8-11,13H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8356-64 (2010) Article DOI: 10.1016/j.bmc.2010.09.060 BindingDB Entry DOI: 10.7270/Q2CN744P
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