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 16 hits for monomerid = 84745   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea University

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

TargetCytochrome P450 1A2(Homo sapiens (Human))
Korea University

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

TargetCytochrome P450 2D6(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)
Affinity DataIC50:  440nMAssay Description:Inhibition of human recombinant CYP3A4 incubated for 5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea University

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

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Korea University

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

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea University

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

TargetCytochrome P450 1A2(Homo sapiens (Human))
Korea University

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

TargetCytochrome P450 2D6(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Korea University

Curated by ChEMBL
LigandPNGBDBM84745(CAS_136434-34-9 | DULOXETINE | LY-248686 | 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 DepthDetails ArticlePubMed
TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Korea University

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

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Korea University

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