Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50375698'   

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))	BDBM50375698 (CHEMBL403363) Show SMILES CC(C)c1ccccc1Oc1cc(C)ncc1CN(C)C Show InChI InChI=1S/C18H24N2O/c1-13(2)16-8-6-7-9-17(16)21-18-10-14(3)19-11-15(18)12-20(4)5/h6-11,13H,12H2,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells				Bioorg Med Chem Lett 18: 1795-8 (2008) Article DOI: 10.1016/j.bmcl.2008.02.036 BindingDB Entry DOI: 10.7270/Q2125TH5
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