Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50494787'   

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))	BDBM50494787 (CHEMBL3094197) Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ccc(cc1)[N+]([O-])=O)c1ccc(F)cc1 Show InChI InChI=1S/C25H25FN2O3/c1-27(2)15-3-14-25(21-7-9-22(26)10-8-21)24-13-6-19(16-20(24)17-31-25)18-4-11-23(12-5-18)28(29)30/h4-13,16H,3,14-15,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	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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