Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50047103'   

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))	BDBM50047103 (2-{3-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-y...) Show SMILES O=S1(=O)N(CCCN2CCC(=CC2)c2c[nH]c3ccccc23)c2cccc3cccc1c23 |c:10| Show InChI InChI=1S/C26H25N3O2S/c30-32(31)25-11-4-7-20-6-3-10-24(26(20)25)29(32)15-5-14-28-16-12-19(13-17-28)22-18-27-23-9-2-1-8-21(22)23/h1-4,6-12,18,27H,5,13-17H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches de Vitry-Alfortville Curated by ChEMBL					Assay Description Inhibition of [3H]-peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake				J Med Chem 36: 1194-202 (1993) BindingDB Entry DOI: 10.7270/Q2MC8Z3Z
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