Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50494798'   

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))	BDBM50494798 (CHEMBL3094184) Show SMILES CN(C)CCCC1(OCc2cc(C=O)ccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H22FNO2/c1-22(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-23)12-16(19)14-24-20/h4-9,12-13H,3,10-11,14H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis				J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90
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