Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50272744'   

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))	BDBM50272744 (CHEMBL443952 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...) Show SMILES CNC[C@@H]1OCc2ccccc2[C@H]1Oc1ccccc1C |r| Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+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 expressed in HEK293 cells				Bioorg Med Chem Lett 18: 4491-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.049 BindingDB Entry DOI: 10.7270/Q2S75H8V
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