Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50331536'   

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))	BDBM50331536 (3,4-Dichlorobenzyl 4-(4-iodophenyl)piperidine-4-ca...) Show SMILES Clc1ccc(COC(=O)C2(CCNCC2)c2ccc(I)cc2)cc1Cl Show InChI InChI=1S/C19H18Cl2INO2/c20-16-6-1-13(11-17(16)21)12-25-18(24)19(7-9-23-10-8-19)14-2-4-15(22)5-3-14/h1-6,11,23H,7-10,12H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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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