Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50212359'   

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))	BDBM50212359 (CHEMBL558182 | threo-1-aza-4beta-hydroxy-5-(3,4-di...) Show SMILES O[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C15H19Cl2NO/c16-11-5-4-10(9-12(11)17)15-13-3-1-2-7-18(13)8-6-14(15)19/h4-5,9,13-15,19H,1-3,6-8H2/t13-,14+,15-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from 5HTT in Sprague-Dawley rat cerebrum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
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