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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Sodium-dependent noradrenaline transporter' and Ligand = 'BDBM50243895'   
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))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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Article
PubMed
63n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of NET (unknown origin)


Bioorg Med Chem Lett 18: 6062-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.025
BindingDB Entry DOI: 10.7270/Q29886TF
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 20n/an/an/an/an/an/a



Biocon Bristol-Myers Squibb R&D Centre

Curated by ChEMBL


Assay Description
Binding affinity to NET (unknown origin)


J Med Chem 61: 2133-2165 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01827
BindingDB Entry DOI: 10.7270/Q2BV7K8M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 20n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human cloned NET


Bioorg Med Chem Lett 18: 3682-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.077
BindingDB Entry DOI: 10.7270/Q26974G5
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 23n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


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


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 23n/an/an/an/an/an/a



Sepracor Inc.

Curated by ChEMBL


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


Bioorg Med Chem 19: 663-76 (2011)


Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
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n/an/a 72.4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in MDCK cells


Bioorg Med Chem Lett 20: 5567-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.021
BindingDB Entry DOI: 10.7270/Q24F1RQ7
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243895
PNG
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)
Show SMILES Clc1ccc(cc1Cl)C12CC1CNC2
Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2
PDB

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CHEMBL
MCE
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Article
PubMed
n/an/a 143n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay


Bioorg Med Chem Lett 24: 3234-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.026
BindingDB Entry DOI: 10.7270/Q2DV1MHH
More data for this
Ligand-Target Pair