Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50516856'   

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))	BDBM50516856 (CHEMBL4467024) Show SMILES COc1ccc(cc1)-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O Show InChI InChI=1S/C32H38N4O3/c1-39-25-15-13-23(14-16-25)30-29-12-4-5-19-35(29)32(38)36(31(30)37)20-7-6-17-34-18-8-9-24(22-34)27-21-33-28-11-3-2-10-26(27)28/h2-3,10-11,13-16,21,24,33H,4-9,12,17-20,22H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	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 SERT in rat cortex tissue incubated for 60 mins by microbeta scintillation counting method				Eur J Med Chem 180: 383-397 (2019) Article DOI: 10.1016/j.ejmech.2019.07.027 BindingDB Entry DOI: 10.7270/Q23B63H7
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