Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50516853'   

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))	BDBM50516853 (CHEMBL4470437) Show SMILES Fc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(55.11,-5.24,;53.78,-4.47,;53.79,-2.93,;52.45,-2.15,;51.11,-2.93,;51.12,-4.46,;52.44,-5.23,;52.44,-6.77,;51.11,-7.54,;49.78,-6.76,;48.45,-7.54,;48.45,-9.08,;49.78,-9.84,;51.1,-9.08,;52.42,-9.85,;52.42,-11.39,;53.76,-9.09,;55.09,-9.87,;56.43,-9.1,;57.76,-9.88,;59.1,-9.12,;60.43,-9.9,;61.75,-9.14,;63.08,-9.92,;63.07,-11.47,;61.73,-12.22,;60.41,-11.44,;61.72,-13.76,;60.46,-14.65,;60.93,-16.12,;62.46,-16.13,;63.48,-17.29,;64.98,-16.98,;65.47,-15.52,;64.45,-14.37,;62.95,-14.68,;53.77,-7.55,;55.11,-6.79,)| Show InChI InChI=1S/C31H35FN4O2/c32-26-13-3-1-12-24(26)29-28-15-5-6-18-35(28)31(38)36(30(29)37)19-8-7-16-34-17-9-10-22(21-34)25-20-33-27-14-4-2-11-23(25)27/h1-4,11-14,20,22,33H,5-10,15-19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	87	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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