Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50331528'   

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 serotonin transporter (Rattus norvegicus (rat))	BDBM50331528 (Benzyl 4-(3,4-dichlorophenyl)piperidine-4-carboxyl...) Show SMILES Clc1ccc(cc1Cl)C1(CCNCC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C19H19Cl2NO2/c20-16-7-6-15(12-17(16)21)19(8-10-22-11-9-19)18(23)24-13-14-4-2-1-3-5-14/h1-7,12,22H,8-11,13H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.20	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]citalopram from serotonin 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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