Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50516849'   

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))	BDBM50516849 (CHEMBL4472972) Show SMILES Cc1ccccc1-c1c2CCCCn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccc(F)cc23)c1=O |(10.75,-5.73,;9.42,-4.96,;9.42,-3.42,;8.09,-2.64,;6.75,-3.42,;6.75,-4.95,;8.08,-5.72,;8.07,-7.26,;6.74,-8.03,;5.41,-7.25,;4.08,-8.03,;4.08,-9.57,;5.41,-10.33,;6.74,-9.57,;8.06,-10.34,;8.05,-11.88,;9.4,-9.58,;10.73,-10.36,;12.06,-9.59,;13.39,-10.37,;14.73,-9.61,;16.06,-10.39,;17.39,-9.63,;18.72,-10.41,;18.7,-11.96,;17.36,-12.71,;16.04,-11.93,;17.35,-14.25,;16.1,-15.14,;16.56,-16.61,;18.1,-16.62,;19.11,-17.78,;20.62,-17.47,;21.11,-16.01,;22.61,-15.7,;20.09,-14.86,;18.59,-15.17,;9.4,-8.04,;10.74,-7.28,)| Show InChI InChI=1S/C32H37FN4O2/c1-22-9-2-3-11-25(22)30-29-12-4-5-17-36(29)32(39)37(31(30)38)18-7-6-15-35-16-8-10-23(21-35)27-20-34-28-14-13-24(33)19-26(27)28/h2-3,9,11,13-14,19-20,23,34H,4-8,10,12,15-18,21H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	133	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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