Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50474062'   

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 (Homo sapiens (Human))	BDBM50474062 (CHEMBL416433) Show SMILES Fc1ccc(CN(CCN2CCN(CCCc3ccccc3)CC2)c2ccccn2)cc1 Show InChI InChI=1S/C27H33FN4/c28-26-13-11-25(12-14-26)23-32(27-10-4-5-15-29-27)22-21-31-19-17-30(18-20-31)16-6-9-24-7-2-1-3-8-24/h1-5,7-8,10-15H,6,9,16-23H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a
Universit£ di Perugia Curated by ChEMBL					Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells				J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT
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