Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50114071'   

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))	BDBM50114071 (CHEMBL3604009) Show SMILES CNC(C)C(=O)c1ccc2OCCOc2c1 Show InChI InChI=1S/C12H15NO3/c1-8(13-2)12(14)9-3-4-10-11(7-9)16-6-5-15-10/h3-4,7-8,13H,5-6H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	347	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method				Bioorg Med Chem 23: 5574-9 (2015) Article DOI: 10.1016/j.bmc.2015.07.035 BindingDB Entry DOI: 10.7270/Q2TH8PGT
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