BDBM84745 CAS_136434-34-9::DULOXETINE::LY-248686::LY248686::USRE49340, Rank 5

SMILES CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

InChI Key InChIKey=ZEUITGRIYCTCEM-UHFFFAOYSA-N

Data  102 KI  61 IC50

PDB links: 3 PDB IDs match 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 163 hits for monomerid = 84745   

LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 0.316nMAssay 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
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  0.501nMAssay Description:Inhibition of SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  0.790nMAssay Description:Ability to inhibit [3H]paroxetine binding to cloned human serotonin (5-HT) transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  0.800nMAssay Description:Ability to inhibit the reuptake of 5-HT at human serotonin transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.60nMAssay 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
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2012
Entry Details Article
PubMed
TargetNorepinephrine transporter(Rat)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
In Depth
Date in BDB:
3/27/2012
Entry Details Article
PubMed
TargetTransporter(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]nisoxetine from rat NET in rat cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human SERT expressed in human JAR cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 3nMAssay Description:Inhibition of serotonin uptake at human SERT expressed in human JAR cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 3nMAssay Description:Inhibition of serotonin uptake at human SERT expressed in JAR cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetNorepinephrine transporter(Rat)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details Article
PubMed
TargetTransporter(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  3.90nMAssay Description:Inhibition of rat NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 4nMAssay Description:Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 4nMAssay Description:Inhibition of [3H]5-HT uptake at human 5HTT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 4nMAssay Description:Inhibition of human NET transfected in MDCK-Net6 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 4nMAssay Description:Inhibition of norepinephrine uptake at human NET expressed in MDCK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  4.60nMAssay Description:Inhibition constant against serotonin transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  4.60nMAssay Description:Binding affinity to NET (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  4.60nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  5nMAssay Description:Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  5nMAssay Description:Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 5nMAssay Description:Inhibition of [3H]NA uptake at human NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  5.97nMAssay Description:Inhibition of human NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 6nMAssay Description:Inhibition of [3H]5-HT from human SERT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 6nMAssay Description:Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 6nMAssay Description:Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 6.60nMAssay Description:Inhibition of human SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 6.60nMAssay Description:Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  7.45nMAssay Description:Ability to inhibit [3H]nisoxetine binding to cloned human norepinephrine (NE) transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  7.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  7.5nMAssay Description:Ability to inhibit the reuptake of NE at human norepinephrine transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  7.94nMAssay Description:Inhibition of NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2013
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 8.90nMAssay Description:Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 8.90nMAssay Description:Inhibition of human NETMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 10nMAssay Description:Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2016
Entry Details Article
PubMed
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetNorepinephrine transporter(Rat)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  15.6nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2012
Entry Details Article
PubMed
TargetTransporter(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  16nMAssay Description:Inhibition constant against norepinephrine transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 19nMAssay Description:Inhibition of [3H]NA reuptake at NA transporter in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 19nMAssay Description:Inhibition of [3H]NA uptake at NA transporter expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 19nMAssay Description:Inhibition of [3H]NA from human NET expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  45nMAssay Description:Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Theravance

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  45nMAssay Description:Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  240nMAssay Description:Ability to inhibit [3H]WIN-35428 binding to cloned human dopamine (DA) transporterMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataKi:  240nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/2/2012
Entry Details Article
PubMed
Displayed 1 to 50 (of 163 total ) | Next | Last >>