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PubMed code 24984230

Compile data set for download or QSAR
Found 22 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))
BDBM50048422
PNG
(CHEMBL3315084)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)Nc2ccccc2)c1OC
Show InChI InChI=1S/C23H20Cl2N2O5/c1-30-20-9-8-15(19(28)10-16-17(24)11-26-12-18(16)25)22(23(20)31-2)32-13-21(29)27-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3,(H,27,29)
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n/an/a 1n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048421
PNG
(CHEMBL3315083)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCc2ccccc2)c1OC
Show InChI InChI=1S/C24H22Cl2N2O5/c1-31-21-9-8-16(20(29)10-17-18(25)12-27-13-19(17)26)23(24(21)32-2)33-14-22(30)28-11-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,28,30)
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n/an/a 3n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048446
PNG
(CHEMBL3315088)
Show SMILES CCCNC(=O)COc1c(ccc(OC)c1OC)C(=O)Cc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H22Cl2N2O5/c1-4-7-24-18(26)11-29-19-12(5-6-17(27-2)20(19)28-3)16(25)8-13-14(21)9-23-10-15(13)22/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,24,26)
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n/an/a 5n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048447
PNG
(CHEMBL3315089)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)c[n+]([O-])cc2Cl)c(OCC(=O)NCc2ccccc2)c1OC
Show InChI InChI=1S/C24H22Cl2N2O6/c1-32-21-9-8-16(20(29)10-17-18(25)12-28(31)13-19(17)26)23(24(21)33-2)34-14-22(30)27-11-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,27,30)
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n/an/a 5n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048476
PNG
(CHEMBL3315079)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(O)cc2)c1OC
Show InChI InChI=1S/C23H21Cl2NO5/c1-29-21-8-7-16(20(28)11-17-18(24)12-26-13-19(17)25)22(23(21)30-2)31-10-9-14-3-5-15(27)6-4-14/h3-8,12-13,27H,9-11H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048477
PNG
(CHEMBL3315080)
Show SMILES CNC(=O)c1ccc(CCOc2c(ccc(OC)c2OC)C(=O)Cc2c(Cl)cncc2Cl)cc1
Show InChI InChI=1S/C25H24Cl2N2O5/c1-28-25(31)16-6-4-15(5-7-16)10-11-34-23-17(8-9-22(32-2)24(23)33-3)21(30)12-18-19(26)13-29-14-20(18)27/h4-9,13-14H,10-12H2,1-3H3,(H,28,31)
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n/an/a 11n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048443
PNG
(CHEMBL3315087)
Show SMILES COCCNC(=O)COc1c(ccc(OC)c1OC)C(=O)Cc1c(Cl)cncc1Cl
Show InChI InChI=1S/C20H22Cl2N2O6/c1-27-7-6-24-18(26)11-30-19-12(4-5-17(28-2)20(19)29-3)16(25)8-13-14(21)9-23-10-15(13)22/h4-5,9-10H,6-8,11H2,1-3H3,(H,24,26)
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n/an/a 13n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048463
PNG
(CHEMBL3315072)
Show SMILES COc1ccc(cc1OC)C(=O)Cc1c(Cl)cncc1Cl
Show InChI InChI=1S/C15H13Cl2NO3/c1-20-14-4-3-9(5-15(14)21-2)13(19)6-10-11(16)7-18-8-12(10)17/h3-5,7-8H,6H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048474
PNG
(CHEMBL3315077)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccccc2)c1OC
Show InChI InChI=1S/C23H21Cl2NO4/c1-28-21-9-8-16(20(27)12-17-18(24)13-26-14-19(17)25)22(23(21)29-2)30-11-10-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048424
PNG
(CHEMBL3315086)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)NCCO)c1OC
Show InChI InChI=1S/C19H20Cl2N2O6/c1-27-16-4-3-11(15(25)7-12-13(20)8-22-9-14(12)21)18(19(16)28-2)29-10-17(26)23-5-6-24/h3-4,8-9,24H,5-7,10H2,1-2H3,(H,23,26)
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n/an/a 17n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048478
PNG
(CHEMBL3315081)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCc2ccc(cc2)C(O)=O)c1OC
Show InChI InChI=1S/C24H21Cl2NO6/c1-31-21-8-7-16(20(28)11-17-18(25)12-27-13-19(17)26)22(23(21)32-2)33-10-9-14-3-5-15(6-4-14)24(29)30/h3-8,12-13H,9-11H2,1-2H3,(H,29,30)
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n/an/a 17n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50041866
PNG
(CHEMBL48017 | N-(3,5-Dichloro-pyridin-4-yl)-3,4-di...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3/c1-20-11-4-3-8(5-12(11)21-2)14(19)18-13-9(15)6-17-7-10(13)16/h3-7H,1-2H3,(H,17,18,19)
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n/an/a 17n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048455
PNG
(CHEMBL3315090)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(N)=O)c1OC
Show InChI InChI=1S/C17H16Cl2N2O5/c1-24-14-4-3-9(16(17(14)25-2)26-8-15(20)23)13(22)5-10-11(18)6-21-7-12(10)19/h3-4,6-7H,5,8H2,1-2H3,(H2,20,23)
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n/an/a 20n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048475
PNG
(CHEMBL3315078)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCCCc2ccccc2)c1OC
Show InChI InChI=1S/C24H23Cl2NO4/c1-29-22-11-10-17(21(28)13-18-19(25)14-27-15-20(18)26)23(24(22)30-2)31-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,14-15H,6,9,12-13H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048423
PNG
(CHEMBL3315085)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(=O)N(C)c2ccccc2)c1OC
Show InChI InChI=1S/C24H22Cl2N2O5/c1-28(15-7-5-4-6-8-15)22(30)14-33-23-16(9-10-21(31-2)24(23)32-3)20(29)11-17-18(25)12-27-13-19(17)26/h4-10,12-13H,11,14H2,1-3H3
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n/an/a 61n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048473
PNG
(CHEMBL3315076)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCc2ccccc2)c1OC
Show InChI InChI=1S/C22H19Cl2NO4/c1-27-20-9-8-15(19(26)10-16-17(23)11-25-12-18(16)24)21(22(20)28-2)29-13-14-6-4-3-5-7-14/h3-9,11-12H,10,13H2,1-2H3
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n/an/a 63n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048470
PNG
(CHEMBL3313943)
Show SMILES CCOc1c(OC)ccc(C(=O)Cc2c(Cl)cncc2Cl)c1OC
Show InChI InChI=1S/C17H17Cl2NO4/c1-4-24-17-15(22-2)6-5-10(16(17)23-3)14(21)7-11-12(18)8-20-9-13(11)19/h5-6,8-9H,4,7H2,1-3H3
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n/an/a 81n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048464
PNG
(CHEMBL3315073)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC
Show InChI InChI=1S/C16H15Cl2NO4/c1-21-14-5-4-9(15(22-2)16(14)23-3)13(20)6-10-11(17)7-19-8-12(10)18/h4-5,7-8H,6H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048471
PNG
(CHEMBL3315074)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OCC1CC1
Show InChI InChI=1S/C19H19Cl2NO4/c1-24-17-6-5-12(18(25-2)19(17)26-10-11-3-4-11)16(23)7-13-14(20)8-22-9-15(13)21/h5-6,8-9,11H,3-4,7,10H2,1-2H3
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n/an/a 212n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048472
PNG
(CHEMBL3315075)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OC)c1OC1CCCC1
Show InChI InChI=1S/C20H21Cl2NO4/c1-25-18-8-7-13(17(24)9-14-15(21)10-23-11-16(14)22)19(26-2)20(18)27-12-5-3-4-6-12/h7-8,10-12H,3-6,9H2,1-2H3
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n/an/a 2.01E+3n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048420
PNG
(CHEMBL3315082)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)c(OCC(O)=O)c1OC
Show InChI InChI=1S/C17H15Cl2NO6/c1-24-14-4-3-9(16(17(14)25-2)26-8-15(22)23)13(21)5-10-11(18)6-20-7-12(10)19/h3-4,6-7H,5,8H2,1-2H3,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.76E+3n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50048459
PNG
(CHEMBL3315071)
Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c(OC)c1OC
Show InChI InChI=1S/C15H14Cl2N2O4/c1-21-11-5-4-8(13(22-2)14(11)23-3)15(20)19-12-9(16)6-18-7-10(12)17/h4-7H,1-3H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.79E+3n/an/an/an/an/an/a



LEO Pharma A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE4D after 1 hr by SPA in presence of radioactively labeled cAMP


J Med Chem 57: 5893-903 (2014)


Article DOI: 10.1021/jm500378a
BindingDB Entry DOI: 10.7270/Q2CV4KC4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%