Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50494763'   

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))	BDBM50494763 (CHEMBL3094156) Show SMILES CN(CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1)Cc1ccnc2ccccc12 Show InChI InChI=1S/C29H26FN3O/c1-33(19-22-13-15-32-28-6-3-2-5-26(22)28)16-4-14-29(24-8-10-25(30)11-9-24)27-12-7-21(18-31)17-23(27)20-34-29/h2-3,5-13,15,17H,4,14,16,19-20H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	404	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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