Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50051757'   

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 (Rattus norvegicus (rat))	BDBM50051757 (1-[3-(4-Vinyl-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C=C)cc1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C18H23NO/c1-3-12-5-7-13(8-6-12)15-11-14-9-10-16(19-14)18(15)17(20)4-2/h3,5-8,14-16,18-19H,1,4,9-11H2,2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Displacement of [3H]-paroxetine from Serotonin transporter of rat frontal cortex membrane				J Med Chem 39: 2554-8 (1996) Article DOI: 10.1021/jm9600508 BindingDB Entry DOI: 10.7270/Q2V69HP1
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