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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 = 'BDBM50337838'   
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))
BDBM50337838
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...)
Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 85n/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))
BDBM50337838
PNG
(1-(1-(3,4-dichlorophenyl)cyclohexyl)-N-methylmetha...)
Show SMILES CNCC1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H19Cl2N/c1-17-10-14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 85n/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