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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50005387   
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/4B/4C/4D


(Homo sapiens (Human))
BDBM50491647
PNG
(CHEMBL2387019)
Show SMILES CCC(CC)c1nn(CC)c2c1N=C(CNC2=O)c1ccc(cc1)C(O)=O |c:13|
Show InChI InChI=1S/C20H24N4O3/c1-4-12(5-2)16-17-18(24(6-3)23-16)19(25)21-11-15(22-17)13-7-9-14(10-8-13)20(26)27/h7-10,12H,4-6,11H2,1-3H3,(H,21,25)(H,26,27)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491650
PNG
(CHEMBL2387020)
Show SMILES CC(C)(C)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(F)cc1 |c:13|
Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)16-14-15(23(22-16)8-9-24)17(25)20-10-13(21-14)11-4-6-12(19)7-5-11/h4-7,24H,8-10H2,1-3H3,(H,20,25)
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491645
PNG
(CHEMBL2387135)
Show SMILES CCC(CC)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(OC)c(OC)c1 |c:14|
Show InChI InChI=1S/C21H28N4O4/c1-5-13(6-2)18-19-20(25(24-18)9-10-26)21(27)22-12-15(23-19)14-7-8-16(28-3)17(11-14)29-4/h7-8,11,13,26H,5-6,9-10,12H2,1-4H3,(H,22,27)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
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Article
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491653
PNG
(CHEMBL2387136)
Show SMILES CCC(CC)c1nn(CCO)c2c1N=C(CNC2=O)c1ccccc1 |c:14|
Show InChI InChI=1S/C19H24N4O2/c1-3-13(4-2)16-17-18(23(22-16)10-11-24)19(25)20-12-15(21-17)14-8-6-5-7-9-14/h5-9,13,24H,3-4,10-12H2,1-2H3,(H,20,25)
PDB

UniProtKB/SwissProt

antibodypedia
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antibodypedia
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PC sid
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Article
PubMed
n/an/a 76n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491652
PNG
(CHEMBL2387138)
Show SMILES CCC(CC)c1nn(CCCO)c2c1N=C(CNC2=O)c1ccc(OC)c(OC)c1 |c:15|
Show InChI InChI=1S/C22H30N4O4/c1-5-14(6-2)19-20-21(26(25-19)10-7-11-27)22(28)23-13-16(24-20)15-8-9-17(29-3)18(12-15)30-4/h8-9,12,14,27H,5-7,10-11,13H2,1-4H3,(H,23,28)
PDB

UniProtKB/SwissProt

antibodypedia
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antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 365n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491646
PNG
(CHEMBL2387021)
Show SMILES CCC(CC)c1nn(CCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:14|
Show InChI InChI=1S/C23H28N6O2/c1-4-16(5-2)20-21-22(29(27-20)12-13-30)23(31)25-14-19(26-21)17-6-8-18(9-7-17)28-11-10-24-15(28)3/h6-11,16,30H,4-5,12-14H2,1-3H3,(H,25,31)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 538n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491644
PNG
(CHEMBL2387139)
Show SMILES CCC(CC)c1nn(CCCO)c2c1N=C(CNC2=O)c1ccccc1 |c:15|
Show InChI InChI=1S/C20H26N4O2/c1-3-14(4-2)17-18-19(24(23-17)11-8-12-25)20(26)21-13-16(22-18)15-9-6-5-7-10-15/h5-7,9-10,14,25H,3-4,8,11-13H2,1-2H3,(H,21,26)
PDB

UniProtKB/SwissProt

antibodypedia
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Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50491649
PNG
(CHEMBL2387137)
Show SMILES CCC(CC)c1nn(CCCO)c2c1N=C(CNC2=O)c1ccc(cc1)-n1ccnc1C |c:15|
Show InChI InChI=1S/C24H30N6O2/c1-4-17(5-2)21-22-23(30(28-21)12-6-14-31)24(32)26-15-20(27-22)18-7-9-19(10-8-18)29-13-11-25-16(29)3/h7-11,13,17,31H,4-6,12,14-15H2,1-3H3,(H,26,32)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


Bioorg Med Chem Lett 23: 3438-42 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.072
BindingDB Entry DOI: 10.7270/Q2MP5665
More data for this
Ligand-Target Pair