Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50099226'   

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))	BDBM50099226 (1-[8-Methyl-3-(4-methyl-naphthalen-1-yl)-8-aza-bic...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc(C)c3ccccc13)N2C |THB:11:10:22:6.7,2:4:22:6.7| Show InChI InChI=1S/C22H27NO/c1-4-21(24)22-19(13-15-10-12-20(22)23(15)3)18-11-9-14(2)16-7-5-6-8-17(16)18/h5-9,11,15,19-20,22H,4,10,12-13H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.99	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 Affinity for the displacement of [3H]-paroxetine binding to serotonin transporter (SERT) in rat frontal cortex membranes				J Med Chem 44: 1509-15 (2001) BindingDB Entry DOI: 10.7270/Q2H1318R
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