Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50526029'   

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))	BDBM50526029 (CHEMBL4587833) Show SMILES Clc1ccccc1-c1c2ccccn2c(=O)n(CCCCN2CCCC(C2)c2c[nH]c3ccccc23)c1=O |(10.92,-18.52,;9.59,-17.75,;9.59,-16.21,;8.26,-15.43,;6.92,-16.21,;6.92,-17.74,;8.25,-18.51,;8.24,-20.05,;6.91,-20.81,;5.58,-20.04,;4.25,-20.81,;4.25,-22.35,;5.58,-23.12,;6.91,-22.35,;8.23,-23.13,;8.22,-24.67,;9.57,-22.37,;10.9,-23.14,;12.24,-22.38,;13.56,-23.16,;14.9,-22.4,;16.23,-23.17,;17.56,-22.41,;18.89,-23.19,;18.88,-24.73,;17.53,-25.49,;16.21,-24.71,;17.52,-27.03,;16.27,-27.92,;16.73,-29.39,;18.27,-29.41,;19.28,-30.56,;20.79,-30.25,;21.28,-28.79,;20.26,-27.64,;18.76,-27.95,;9.57,-20.83,;10.91,-20.06,)| Show InChI InChI=1S/C31H31ClN4O2/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/h1-6,11-15,18,20,22,33H,7-10,16-17,19,21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	103	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 measured after 60 mins by microbeta scintillation counting analysis				Eur J Med Chem 166: 144-158 (2019) Article DOI: 10.1016/j.ejmech.2019.01.031 BindingDB Entry DOI: 10.7270/Q2M61PPW
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