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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent serotonin transporter' and Ligand = 'BDBM50233472'   
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


(Homo sapiens (Human))
BDBM50233472
PNG
((2-(3-chlorophenoxy)phenyl)-N,N-dimethylmethanamin...)
Show SMILES CN(C)Cc1ccccc1Oc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClNO/c1-17(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(16)10-14/h3-10H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT reuptake at human serotonin transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4018-21 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.001
BindingDB Entry DOI: 10.7270/Q2W37W4X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50233472
PNG
((2-(3-chlorophenoxy)phenyl)-N,N-dimethylmethanamin...)
Show SMILES CN(C)Cc1ccccc1Oc1cccc(Cl)c1
Show InChI InChI=1S/C15H16ClNO/c1-17(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(16)10-14/h3-10H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 238n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at human 5HT transporter expressed in HEK293 cells


Bioorg Med Chem Lett 18: 596-9 (2008)


BindingDB Entry DOI: 10.7270/Q2DR2WBX
More data for this
Ligand-Target Pair