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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent dopamine transporter' and Ligand = 'BDBM50233471'   
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 dopamine transporter


(Homo sapiens (Human))
BDBM50233471
PNG
((2-(4-chlorophenoxy)phenyl)-N,N-dimethylmethanamin...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA reuptake at human dopamine 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 dopamine transporter


(Homo sapiens (Human))
BDBM50233471
PNG
((2-(4-chlorophenoxy)phenyl)-N,N-dimethylmethanamin...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 124n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at human dopamine 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