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

SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1

InChI Key InChIKey=ZEUITGRIYCTCEM-KRWDZBQOSA-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(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  0.501nMAssay Description:Inhibition of SERTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.80nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  3nMAssay Description:Displacement of [3H]nisoxetine from rat NET in rat cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(Rat)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
In DepthDetails ArticlePubMed
TargetNorepinephrine transporter(Rat)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  3.60nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransporter(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  3.90nMAssay Description:Inhibition of rat NETMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  4.60nMAssay Description:Inhibition constant against serotonin transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  4.60nMAssay Description:Inhibitory activity against Dihydrofolate reductase in Neisseria gonorrhoeaeMore data for this Ligand-Target Pair
In DepthDetails PubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  4.60nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  5.97nMAssay Description:Inhibition of human NETMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  7.45nMAssay Description:Ability to inhibit [3H]-nisoxatine binding to cloned human norepinephrine (NE) transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  7.5nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  7.5nMAssay Description:Ability to inhibit the reuptake of NE at human norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  7.94nMAssay Description:Inhibition of NETMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetNorepinephrine transporter(Rat)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  15.6nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  16nMAssay Description:Inhibition constant against norepinephrine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetTransporter(Rat)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent noradrenaline transporter(Human)
Shandong University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  240nMAssay Description:Ability to inhibit the reuptake of dopamine at human dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  240nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  240nMAssay Description:Ability to inhibit [3H]-WIN-35,428 binding to cloned human dopamine (DA) transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  251nMAssay Description:Inhibition of DATMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  316nMAssay Description:Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  369nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  370nMAssay Description:Inhibition constant against dopamine transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 6(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  419nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  435nMAssay Description:Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetSodium-dependent dopamine transporter(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  435nMAssay Description:Displacement of [3H]dopamine from human DAT expressed in HEK293 cells by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2A(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  504nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  916nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 4(Guinea pig)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rat)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Bovine)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenylate cyclase type 3(Rat)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rat)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1B adrenergic receptor(Rat)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2B adrenergic receptor(Mouse)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-1 adrenergic receptor(Rat)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Rat)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataKi:  1.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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