Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50243266'   

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))	BDBM50243266 ((2R,4S)-N-methyl-4-(o-tolyloxy)-1,2,3,4-tetrahydro...) Show SMILES CN[C@H]1C[C@H](Oc2ccccc2C)c2ccccc2C1 |r| Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-12-15(19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences Inc. Curated by ChEMBL					Assay Description Inhibition of serotonin uptake at human SERT in human HEK293 cells				Bioorg Med Chem Lett 18: 4224-7 (2008) Article DOI: 10.1016/j.bmcl.2008.05.057 BindingDB Entry DOI: 10.7270/Q2T154J4
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