Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50208771'   

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))	BDBM50208771 (2-[(2-methoxymethyl)piperazin-1-yl]-6-nitroquinoli...) Show SMILES COCC1CNCCN1c1ccc2cc(ccc2n1)[N+]([O-])=O |w:3.2| Show InChI InChI=1S/C15H18N4O3/c1-22-10-13-9-16-6-7-18(13)15-5-2-11-8-12(19(20)21)3-4-14(11)17-15/h2-5,8,13,16H,6-7,9-10H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat SERT				Bioorg Med Chem 15: 3499-504 (2007) Article DOI: 10.1016/j.bmc.2007.03.001 BindingDB Entry DOI: 10.7270/Q2SN08N4
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