Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50316947'   

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 (Homo sapiens (Human))	BDBM50316947 (CHEMBL1087818 | N-(3-(2-(8-((2-oxo-1,2,3,4-tetrahy...) Show SMILES CS(=O)(=O)Nc1cccc(OCCN2CC3CCC(C2)C3Cc2ccc3CCC(=O)Nc3c2)c1 Show InChI InChI=1S/C26H33N3O4S/c1-34(31,32)28-22-3-2-4-23(15-22)33-12-11-29-16-20-7-8-21(17-29)24(20)13-18-5-6-19-9-10-26(30)27-25(19)14-18/h2-6,14-15,20-21,24,28H,7-13,16-17H2,1H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]citalopram form human SRET by liquid scintillation counting				Bioorg Med Chem Lett 20: 2983-6 (2010) Article DOI: 10.1016/j.bmcl.2010.02.105 BindingDB Entry DOI: 10.7270/Q2VH5P0Q
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