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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4D' and Ligand = 'BDBM50299568'   
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 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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1.55E+3n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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Article
PubMed
3.86E+3n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D1 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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Article
PubMed
9.18E+3n/an/an/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
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PubMed
n/an/a 2.86E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
PDB

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PubMed
n/an/a 3.46E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PDE4D3 expressed in baculoviral system


J Med Chem 57: 7061-72 (2014)


Article DOI: 10.1021/jm500855w
BindingDB Entry DOI: 10.7270/Q23N251C
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
PDB

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Article
PubMed
n/an/a 3.46E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D3 expressed in baculovirus system by IMAP assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
PDB

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Article
PubMed
n/an/a 7.09E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D1 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50299568
PNG
(3-(Cyclopentyloxy)-4-methoxybenzaldehyde O-[3-(2,6...)
Show SMILES COc1ccc(\C=N\OCC(O)CN2CC(C)OC(C)C2)cc1OC1CCCC1
Show InChI InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+
PDB

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UniChem

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Article
PubMed
n/an/a 7.34E+3n/an/an/an/an/an/a



University of Genoa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 expressed in baculovirus system by radiometric assay


J Med Chem 52: 6546-57 (2009)


Article DOI: 10.1021/jm900977c
BindingDB Entry DOI: 10.7270/Q2N879VV
More data for this
Ligand-Target Pair