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BDBM50366567 ATOMOXETINE

SMILES: CNCC[C@@H](Oc1ccccc1C)c1ccccc1

InChI Key: InChIKey=VHGCDTVCOLNTBX-QGZVFWFLSA-N

Data: 8 KI  27 IC50  3 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 38 hits for monomerid = 50366567   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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4n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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5n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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43n/an/an/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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77n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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1.40E+3n/an/an/an/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of [3H]- DA reuptake into rat striatal synaptosomes


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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1.45E+3n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat striatum


Bioorg Med Chem Lett 13: 3565-9 (2003)


Article DOI: 10.1016/s0960-894x(03)00786-8
BindingDB Entry DOI: 10.7270/Q26110WV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cells


Bioorg Med Chem Lett 18: 4929-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3.10n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cells by scintillation counting


J Med Chem 52: 5703-11 (2009)


Article DOI: 10.1021/jm900888c
BindingDB Entry DOI: 10.7270/Q2CR5V9W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3n/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 18: 6067-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.026
BindingDB Entry DOI: 10.7270/Q2JD4XQT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in JAR cels


Bioorg Med Chem Lett 18: 6067-70 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.026
BindingDB Entry DOI: 10.7270/Q2JD4XQT
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Krueppel-like factor 10


(Homo sapiens)
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Beth Israel Deaconess Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter d...


J Med Chem 58: 1466-78 (2015)


Article DOI: 10.1021/jm5018187
BindingDB Entry DOI: 10.7270/Q2WM1G3D
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The State University of New York

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry


Bioorg Med Chem Lett 19: 58-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.022
BindingDB Entry DOI: 10.7270/Q2N58N95
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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MMDB

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n/an/a 2.10E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch-clamp method


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 5.10n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 1555-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.056
BindingDB Entry DOI: 10.7270/Q2FN175Q
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant CYP32D6


Bioorg Med Chem Lett 18: 4491-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3n/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 serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR 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))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT in human HEK293 cells


Bioorg Med Chem Lett 18: 4224-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.057
BindingDB Entry DOI: 10.7270/Q2T154J4
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 18: 4929-31 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.060
BindingDB Entry DOI: 10.7270/Q2S183C9
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/an/a 1.08E+3n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/an/a 8.90n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50366567
PNG
(ATOMOXETINE)
Show SMILES CNCC[C@@H](Oc1ccccc1C)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1
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n/an/an/a 2n/an/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter


Bioorg Med Chem Lett 8: 487-92 (1999)


Article DOI: 10.1016/s0960-894x(98)00062-6
BindingDB Entry DOI: 10.7270/Q2F76D26
More data for this
Ligand-Target Pair