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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 = 'BDBM50013056'   
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))
BDBM50013056
PNG
(CHEMBL3261699)
Show SMILES CN(C)CCC(Oc1cccc(NC(=O)Nc2ccc3n(C)ccc3c2)c1)c1ccccc1
Show InChI InChI=1S/C27H30N4O2/c1-30(2)16-15-26(20-8-5-4-6-9-20)33-24-11-7-10-22(19-24)28-27(32)29-23-12-13-25-21(18-23)14-17-31(25)3/h4-14,17-19,26H,15-16H2,1-3H3,(H2,28,29,32)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9.40n/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 spectrophotometric analysis


Bioorg Med Chem Lett 24: 2118-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.043
BindingDB Entry DOI: 10.7270/Q2G44RV5
More data for this
Ligand-Target Pair