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   

TargetSodium-dependent serotonin transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 515nMAssay Description:Inhibition of human NET 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
TargetSodium-dependent dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 977nMAssay Description:Inhibition of human DAT 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
TargetCytochrome P450 1A2(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of human recombinant CYP1A2 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.58E+3nMAssay Description:Inhibition of human recombinant CYP2D6 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 2.91E+4nMAssay Description:Inhibition of human recombinant CYP2C9 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 440nMAssay Description:Inhibition of human recombinant CYP3A4 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of human recombinant CYP2C19 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2016
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetSodium-dependent noradrenaline transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 515nMAssay Description:Inhibition of norepinephrine reuptake at human NET 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
TargetSodium-dependent dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 977nMAssay Description:Inhibition of DA reuptake at human DAT 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
TargetCytochrome P450 1A2(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of recombinant human CYP1A2 preincubated for 5 mins before fluorescent substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of recombinant human CYP2D6 preincubated for 5 mins before fluorescent substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 2.90E+4nMAssay Description:Inhibition of recombinant human CYP2C9 preincubated for 5 mins before fluorescent substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 440nMAssay Description:Inhibition of recombinant human CYP3A4 preincubated for 5 mins before fluorescent substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 4.10E+3nMAssay Description:Inhibition of recombinant human CYP2C19 preincubated for 5 mins before fluorescent substrate addition by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2016
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetPotassium voltage-gated channel subfamily D member 3(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of transient outward potassium current (Ito) current in Chinese Hamster Ovary (CHO) K1 cells expressing human Kv4.3 measured using IonWork...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily E/KQT member 1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of slow delayed inward rectifying potassium current (Iks) in Chinese Hamster Ovary (CHO) cells expressing hKvLQT1/hminK measured using Ion...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) K1 cells stably expressing hERG measured using I...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of long-lasting type calcium current (hICa) in Chinese Hamster Ovary (CHO) cells expressing hCav1.2 measured using IonWorks Quattro automa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 6.31E+3nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) in Chinese hamster ovary (CHO) cells stable expressing hERG measured using IonW...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 870nMAssay Description:Inhibition of [3H]DA from human DAT 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)
Korea University

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 serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 5.01E+3nMAssay Description:Inhibition of rapid delayed inward rectifying potassium current (IKr) measured using manual patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 7.94E+3nMAssay Description:Inhibition of fast sodium current (INa) in Chinese Hamster Ovary (CHO) K1 cells transfected with human Nav1.5 measured using IonWorks Quattro automat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.58E+4nMAssay Description:Inhibition of fast sodium current (INa) in HEK293 cells transfected with human Nav1.5 measured using IonWorks Quattro automated patch clamp platformMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 2.51E+4nMAssay Description:Inhibition of long-lasting type calcium current (ICaL) in HEK293 cells (alpha1C/beta2a/alpha2delta1) cells measured using IonWorks Barracuda automat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2016
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Korea University

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 serotonin transporter(Human)
Korea University

Curated by ChEMBL
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 dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 590nMAssay Description:Inhibition of [3H]DA uptake at human DAT expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2010
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Korea University

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 serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetSodium-dependent dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 1.00E+3nMAssay Description:Displacement of [3H]WIN-35428 form human DAT expressed in CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetSodium-dependent noradrenaline transporter(Human)
Korea University

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 serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetSodium-dependent dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 870nMAssay Description:Inhibition of [3H]DA reuptake at DA transporter in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/8/2012
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetSodium-dependent noradrenaline transporter(Human)
Korea University

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 dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 870nMAssay Description:Inhibition of DA 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 dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 660nMAssay Description:Inhibition of human DATMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetSodium-dependent dopamine transporter(Rat)
The State University of New York

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 370nMAssay Description:Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum 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)
Korea University

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 serotonin transporter(Human)
Korea University

Curated by ChEMBL
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 dopamine transporter(Human)
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(DULOXETINE | LY-248686 | CAS_136434-34-9 | LY24868...)
Affinity DataIC50: 660nMAssay Description:Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT 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)
Korea University

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
TargetSodium-dependent serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
TargetSodium-dependent noradrenaline transporter(Human)
Korea University

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
TargetSodium-dependent serotonin transporter(Human)
Korea University

Curated by ChEMBL
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
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