Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50166142'   

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))	BDBM50166142 ((3S,6S)-3-Benzhydryloxy-6-methoxymethoxy-8-methyl-...) Show SMILES COCO[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccccc1)c1ccccc1 |TLB:13:8:11:5.4,3:4:11:9.7.8| Show InChI InChI=1S/C23H29NO3/c1-24-19-13-20(15-21(24)22(14-19)26-16-25-2)27-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-23H,13-16H2,1-2H3/t19?,20-,21?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from Serotonin transporter of rat caudate putamen				J Med Chem 48: 3337-43 (2005) Article DOI: 10.1021/jm0490235 BindingDB Entry DOI: 10.7270/Q25T3M8M
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