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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 = 'BDBM50337843'   
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))
BDBM50337843
PNG
(CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...)
Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
n/an/a 295n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at human human recombinant NET expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 1434-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.019
BindingDB Entry DOI: 10.7270/Q2CV4J2P
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50337843
PNG
(CHEMBL1683901 | N-methyl-1-(1-(naphthalen-2-yl)cyc...)
Show SMILES CNCC1(CCCCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C18H23N/c1-19-14-18(11-5-2-6-12-18)17-10-9-15-7-3-4-8-16(15)13-17/h3-4,7-10,13,19H,2,5-6,11-12,14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 295n/an/an/an/an/an/a



Sunovion Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Norepinephrine transporter


Bioorg Med Chem Lett 21: 1438-41 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.016
BindingDB Entry DOI: 10.7270/Q2S46S72
More data for this
Ligand-Target Pair