BDBM50248919 (S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-1,3-dioxoisoindolin-4-yl)acetamide::APREMILAST::CHEMBL514800::US10662189, Compound Apremilast

SMILES CCOc1cc(ccc1OC)[C@@H](CS(C)(=O)=O)N1C(=O)c2cccc(NC(C)=O)c2C1=O

InChI Key InChIKey=IMOZEMNVLZVGJZ-UHFFFAOYSA-N

Data  19 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50248919   

TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 35nMAssay Description:Inhibition of recombinant human His6-tagged PDE4D2 expressed in baculovirus infected Sf9 insect cells using cAMP as substrate preincubated for 5 to 1...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 7.40E+4nMMore data for this Ligand-Target Pair
In DepthDetails
PDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 500nMAssay Description:Inhibition of PDE4D2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Human)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 74nMAssay Description:Inhibition of PDE4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Orchid Pharma

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 74nMAssay Description:Inhibition of human PDE4B using [3H]cAMP as substrate incubated for 5 mins followed by substrate addition and measured after 10 mins by scintillation...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 48nMAssay Description:Inhibition of human PDE4D catalytic domain (86 to 413 residues) expressed in Escherichia coli BL21 (DE3) cells using [3H]cAMP as substrate measured a...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 540nMAssay Description:Inhibition of PDE4D2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Human)
Sichuan Academy of Medical Science & Sichuan Provincial People'S Hospital

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 110nMAssay Description:Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalpha productionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 74nMAssay Description:Inhibition of PDE4D (unknown origin) using cAMP as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Orchid Pharma

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 24nMAssay Description:Inhibition of recombinant human His6-tagged PDE4B1 UCR1 S133D mutant expressed in baculovirus infected Sf9 insect cells using cAMP as substrate prein...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 1A2(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Human)
Tetra Discovery Partners

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 33nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Orchid Pharma

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 27nMAssay Description:Inhibition of PDE4B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Orchid Pharma

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 16.5nMAssay Description:The enzyme activity was indicated by measuring the AMP/GMP expression and tracing AMP/GMP antibody binding based on fluorescence polarization in the ...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Human)
Orchid Pharma

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 30nMAssay Description:Inhibition of recombinant human PDE4B2 expressed in African green monkey COS7 cells using cAMP as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetCytochrome P450 3A4(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C19(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Celgene

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
PubMed