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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM50064858'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4A expressed in Sf9 cells


J Med Chem 43: 3820-3 (2000)


BindingDB Entry DOI: 10.7270/Q23T9GG9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase-4A (PDE4)


Bioorg Med Chem Lett 13: 1923-6 (2003)


BindingDB Entry DOI: 10.7270/Q25X289K
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...


Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged PDE4A


J Med Chem 51: 5471-89 (2008)


Article DOI: 10.1021/jm800582j
BindingDB Entry DOI: 10.7270/Q2GQ6ZNK
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...


Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4A expressed in Sf9 cells


J Med Chem 43: 3820-3 (2000)


BindingDB Entry DOI: 10.7270/Q23T9GG9
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay


Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair