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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50140067'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))		BDBM50140067
PNG
(CHEMBL3753681)
Show SMILES CN(C)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H33ClN4O2S/c1-29(2)15-20-32(22-23-7-4-3-5-8-23)35(33,34)27-13-11-25(12-14-27)30-16-18-31(19-17-30)26-10-6-9-24(28)21-26/h3-14,21H,15-20,22H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 30n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrometry

Bioorg Med Chem Lett 26: 914-20 (2016)


Article DOI: 10.1016/j.bmcl.2015.12.071
BindingDB Entry DOI: 10.7270/Q2VX0JC7
More data for this
Ligand-Target Pair