Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50099222'   

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))	BDBM50099222 (1-[3-(5-Iodo-6-methoxy-naphthalen-2-yl)-8-methyl-8...) Show SMILES CCC(=O)C1C2CCC(CC1c1ccc3c(I)c(OC)ccc3c1)N2C |TLB:25:24:4.10.9:6.7,THB:11:10:24:6.7,2:4:24:6.7| Show InChI InChI=1S/C22H26INO2/c1-4-19(25)21-17(12-15-7-9-18(21)24(15)2)14-5-8-16-13(11-14)6-10-20(26-3)22(16)23/h5-6,8,10-11,15,17-18,21H,4,7,9,12H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.27	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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