Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50111894'   

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))	BDBM50111894 (1-{3-[4-((E)-2-Iodo-propenyl)-phenyl]-8-aza-bicycl...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(\C=C(/C)I)cc1)N2 |THB:2:4:21:6.7| Show InChI InChI=1S/C19H24INO/c1-3-18(22)19-16(11-15-8-9-17(19)21-15)14-6-4-13(5-7-14)10-12(2)20/h4-7,10,15-17,19,21H,3,8-9,11H2,1-2H3/b12-10+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.570	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 Tested for the ability to displace [3H]- paroxetine binding in rat frontal cortex membrane against Serotonin transporter				Bioorg Med Chem Lett 12: 845-7 (2002) BindingDB Entry DOI: 10.7270/Q25M6515
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