BDBM35226 (S,S)-reboxetine::Reboxetine::Vestra

SMILES CCOc1ccccc1O[C@@H](c2ccccc2)[C@@H]3CNCCO3

InChI Key InChIKey=CBQGYUDMJHNJBX-UHFFFAOYSA-N

Data  26 KI  6 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 32 hits for monomerid = 35226   

TargetSodium-dependent serotonin transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of human recombinant SERT expressed in HEK293 cells assessed as inhibition of [3H]5HT reuptakeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataIC50: 3.16E+3nMAssay Description:Inhibition of human recombinant CYP2D6 by luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataIC50: 2nMAssay Description:Inhibition of human recombinant NET expressed in HEK293 cells assessed as inhibition of [3H]NE reuptakeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetTransporter(Rat)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of norepinephrine uptake at NET in rat brain synaptosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent serotonin transporter(Rat)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of serotonin uptake at SERT in rat brain synaptosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Rat)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of dopamine uptake at cloned DAT in rat brain synaptosomeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/17/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  0.300nM ΔG°:  -13.5kcal/molepH: 7.4 T: 2°CAssay Description:Compounds were evaluated the inhibition of [3H] nisoxetine binding to MDCK-Net6 cells, stably transfected with the human norepinephrine transporter (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/25/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNorepinephrine transporter(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  5.20nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  11nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  15.8nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSodium-dependent serotonin transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  107nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetSodium-dependent serotonin transporter(Rat)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  162nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetSodium-dependent serotonin transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  440nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  457nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 1D(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 3A(Mouse)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2012
Entry Details Article
PubMed
TargetAlpha-2C adrenergic receptor(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetNicotinic acetylcholine receptor(Cape York rat)
University of Kentucky

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Rat)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetSodium-dependent dopamine transporter(Rat)
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetD(3) dopamine receptor(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetD(2) dopamine receptor(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
TargetAlpha-2A adrenergic receptor(Human)
Institut De Recherches Servier

Curated by PDSP Ki Database
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details
PubMed
LigandPNGBDBM35226(Vestra | Reboxetine | (S,S)-reboxetine)
Affinity DataKi:  2.00E+4nMAssay Description:Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMed