null

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

InChI Key InChIKey=IMOZEMNVLZVGJZ-QGZVFWFLSA-N

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 17 hits for monomerid = 50248919   

TargetCytochrome P450 1A2(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WVKPubMed
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 74nMAssay Description:Inhibition of PDE4 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C19(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WVKPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WVKPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WVKPubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 30nMAssay Description:Inhibition of platelet derived growth factor receptor beta phosphorylation in MG63 cells in the presence of human plasmaMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HQ42BBPubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q27D2Z5HUS Patent
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 27nMAssay Description:Inhibition of PDE4B (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2G44TQ6PubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
University of Hyderabad Campus

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 33nMAssay Description:Inhibition of PDE4D (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
University of Hyderabad Campus

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
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
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q26H4MVTPubMed
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
University of Hyderabad Campus

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 74nMAssay Description:Inhibition of PDE4D (unknown origin) using cAMP as substrateMore data for this Ligand-Target Pair
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 110nMAssay Description:Inhibition of PDE4 in human PBMC assessed as reduction in LPS-stimulated TNFalpha productionMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
University of Hyderabad Campus

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 540nMAssay Description:Inhibition of PDE4D2 (unknown origin)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4D(Homo sapiens (Human))
University of Hyderabad Campus

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
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
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4B(Homo sapiens (Human))
Medicinal Chemistry& Screening ,?Pharmacokinetics& Metabolism , and§Experimental Dermatology , Almirall S.A., Centro de Investigación y Desarrollo , Crta. Laureà Miró 408-410 , Sant Feliu de

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
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
BindingDB Entry DOI: 10.7270/Q2N58R28PubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Celgene Corporation

Curated by ChEMBL
LigandPNGBDBM50248919((S)-N-(2-(1-(3-ethoxy-4-methoxyphenyl)-2-(methylsu...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N29WVKPubMed