Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50412437'   

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))	BDBM50412437 (CHEMBL484742) Show SMILES Cc1ccc2c(OC3CCN(Cc4ccc5OCC(=O)Nc5c4)CC3)cccc2n1 Show InChI InChI=1S/C24H25N3O3/c1-16-5-7-19-20(25-16)3-2-4-22(19)30-18-9-11-27(12-10-18)14-17-6-8-23-21(13-17)26-24(28)15-29-23/h2-8,13,18H,9-12,14-15H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of [3H]5HT reuptake at SERT in rat cortical synaptosomes				Bioorg Med Chem Lett 18: 5581-5 (2008) Article DOI: 10.1016/j.bmcl.2008.08.110 BindingDB Entry DOI: 10.7270/Q2KH0PKZ
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