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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 = 'BDBM50453934'   
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))
BDBM50453934
PNG
(CHEMBL4212482)
Show SMILES Cl.COc1ccccc1CCN1CCC(CCc2ccccc2OCCF)CC1
Show InChI InChI=1S/C24H32FNO2/c1-27-23-8-4-2-7-22(23)14-18-26-16-12-20(13-17-26)10-11-21-6-3-5-9-24(21)28-19-15-25/h2-9,20H,10-19H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.16E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair