Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50331525'   

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))	BDBM50331525 (4-Iodobenzyl 4-(3,4-dichlorophenyl)-1-methylpiperi...) Show SMILES CN1CCC(CC1)(C(=O)OCc1ccc(I)cc1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C20H20Cl2INO2/c1-24-10-8-20(9-11-24,15-4-7-17(21)18(22)12-15)19(25)26-13-14-2-5-16(23)6-3-14/h2-7,12H,8-11,13H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	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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