Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50152007'   

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))	BDBM50152007 (3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...) Show SMILES O=Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1 Show InChI InChI=1S/C25H29N3O3/c29-18-19-4-6-23-22(15-19)20(17-26-23)3-1-2-8-27-9-11-28(12-10-27)21-5-7-24-25(16-21)31-14-13-30-24/h4-7,15-18,26H,1-3,8-14H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck KGaA Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT re-uptake in rat synaptosomes				J Med Chem 47: 4684-92 (2004) Article DOI: 10.1021/jm040793q BindingDB Entry DOI: 10.7270/Q2513XPS
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