Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50492438'   

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))	BDBM50492438 (CHEMBL2402552) Show SMILES Cl.CN1CC(C1)(OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H17Cl2NO/c1-20-11-17(12-20,14-4-8-16(19)9-5-14)21-10-13-2-6-15(18)7-3-13/h2-9H,10-12H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of New Orleans Curated by ChEMBL					Assay Description Displacement of [3H]Citalopram from SERT in Sprague-Dawley rat brain homogenate after 60 mins by scintillation counting analysis				Bioorg Med Chem Lett 23: 4404-7 (2013) Article DOI: 10.1016/j.bmcl.2013.05.071 BindingDB Entry DOI: 10.7270/Q2DN47ZV
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