Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50062245'   

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))	BDBM50062245 (CHEMBL3397071) Show SMILES Fc1ccc2[nH]cc(C3CCN(CCCCn4c(=O)c(-c5ccc(Cl)cc5)c5ccccn5c4=O)CC3)c2c1 Show InChI InChI=1S/C31H30ClFN4O2/c32-23-8-6-22(7-9-23)29-28-5-1-2-15-36(28)31(39)37(30(29)38)16-4-3-14-35-17-12-21(13-18-35)26-20-34-27-11-10-24(33)19-25(26)27/h1-2,5-11,15,19-21,34H,3-4,12-14,16-18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Warsaw Curated by ChEMBL					Assay Description Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis				Eur J Med Chem 90: 21-32 (2015) Article DOI: 10.1016/j.ejmech.2014.10.069 BindingDB Entry DOI: 10.7270/Q2VQ34CB
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