Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50111885'   

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))	BDBM50111885 (1-[3-(3-Iodo-phenyl)-8-aza-bicyclo[3.2.1]oct-2-yl]...) Show SMILES CCC(=O)C1C2CCC(CC1c1cccc(I)c1)N2 |THB:2:4:18:6.7| Show InChI InChI=1S/C16H20INO/c1-2-15(19)16-13(9-12-6-7-14(16)18-12)10-4-3-5-11(17)8-10/h3-5,8,12-14,16,18H,2,6-7,9H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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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