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PubMed code 22030030

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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))
BDBM50358828
PNG
(CHEMBL1922946)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OCC
Show InChI InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22)
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Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50358830
PNG
(CHEMBL1923066)
Show SMILES CCNC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H25N3O4S/c1-3-22-21(27)24-11-10-15-16(13-24)29-19(18(15)20(26)28-4-2)23-17(25)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,27)(H,23,25)
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n/an/a 27n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50084018
PNG
(2-Phenylacetylamino-4,7-dihydro-5H-thieno[2,3-c]py...)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1ccccc1)c2C(=O)OCC
Show InChI InChI=1S/C21H24N2O5S/c1-3-27-20(25)18-15-10-11-23(21(26)28-4-2)13-16(15)29-19(18)22-17(24)12-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3,(H,22,24)
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n/an/a 100n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50358829
PNG
(CHEMBL1923060)
Show SMILES CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc1cccs1)c2C(=O)OC1CCCC1
Show InChI InChI=1S/C22H26N2O5S2/c1-2-28-22(27)24-10-9-16-17(13-24)31-20(23-18(25)12-15-8-5-11-30-15)19(16)21(26)29-14-6-3-4-7-14/h5,8,11,14H,2-4,6-7,9-10,12-13H2,1H3,(H,23,25)
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n/an/a 290n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50358827
PNG
(CHEMBL1922942)
Show SMILES CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2CCCCc12
Show InChI InChI=1S/C19H21NO3S/c1-2-23-19(22)17-14-10-6-7-11-15(14)24-18(17)20-16(21)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3,(H,20,21)
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Monash University (Parkville campus)

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D2 overexpressed in Escherichia coli after 15 mins using [3H]cAMP by scintillation proximity assay


Bioorg Med Chem Lett 21: 7089-93 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.109
BindingDB Entry DOI: 10.7270/Q2D21Z1F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%