Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50474054'   

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))	BDBM50474054 (CHEMBL40530) Show SMILES Cc1ccc(\C=C\C(=O)N2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 Show InChI InChI=1S/C29H30F2N2O2/c1-22-2-4-23(5-3-22)6-15-28(34)33-18-16-32(17-19-33)20-21-35-29(24-7-11-26(30)12-8-24)25-9-13-27(31)14-10-25/h2-15,29H,16-21H2,1H3/b15-6+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	195	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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