Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50169006'   

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))	BDBM50169006 (5-Ethyl-2-(2-methylaminomethyl-phenylsulfanyl)-phe...) Show SMILES CCc1ccc(Sc2ccccc2CNC)c(N)c1 Show InChI InChI=1S/C16H20N2S/c1-3-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18-2/h4-10,18H,3,11,17H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.04	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells				J Med Chem 48: 4254-65 (2005) Article DOI: 10.1021/jm050079o BindingDB Entry DOI: 10.7270/Q20R9NZ1
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