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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50259228'   
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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50259228
PNG
((1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


Bioorg Med Chem Lett 19: 2464-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50259228
PNG
((1S,2R)-1-(methyl(o-tolyl)amino)-3-(methylamino)-1...)
Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1C)c1ccccc1 |r|
Show InChI InChI=1S/C18H24N2O/c1-14-9-7-8-12-16(14)20(3)18(17(21)13-19-2)15-10-5-4-6-11-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 217n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells


J Med Chem 53: 2051-62 (2010)


Article DOI: 10.1021/jm901559e
BindingDB Entry DOI: 10.7270/Q21J99VS
More data for this
Ligand-Target Pair