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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50337911'   
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))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
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Article
PubMed
n/an/a 7n/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))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/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))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/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))
BDBM50337911
PNG
((+/-)-1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dim...)
Show SMILES CC(N(C)C)C1(CCCCC1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H23Cl2N/c1-12(19(2)3)16(9-5-4-6-10-16)13-7-8-14(17)15(18)11-13/h7-8,11-12H,4-6,9-10H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human norepinephrine transporter assessed as reduction in [3H]-NA reuptake


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair