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Compile Data Set for Download or QSAR

Found 888 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4A'   
Target
(Institution)
LigandTarget
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))
BDBM50274028
PNG
(CHEMBL499477 | N-(3,5-dichloropyridin-4-yl)-1-(3-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H22Cl2N6O5S/c1-18-37-32(45-39-18)24(20-8-10-22(11-9-20)46(2,43)44)14-19-5-3-6-21(13-19)40-17-25(29(41)23-7-4-12-36-30(23)40)31(42)38-28-26(33)15-35-16-27(28)34/h3-17H,1-2H3,(H,35,38,42)/b24-14+
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50092632
PNG
(8-(3-Nitro-phenyl)-6-pyridin-4-ylmethyl-quinoline ...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C21H15N3O2/c25-24(26)19-5-1-3-17(14-19)20-13-16(11-15-6-9-22-10-7-15)12-18-4-2-8-23-21(18)20/h1-10,12-14H,11H2
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n/an/a 0.0700n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183794
PNG
(3-isopropyl-1-(4-(methylsulfonyl)phenyl)-1-((3-(6-...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H35N3O5S2/c1-21(2)33-30(35)34(26-12-14-27(15-13-26)40(5,36)37)20-22-9-7-10-23(17-22)28-19-25(31(3,4)41(6,38)39)18-24-11-8-16-32-29(24)28/h7-19,21H,20H2,1-6H3,(H,33,35)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183792
PNG
(1-((3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)...)
Show SMILES CC(C)NC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N4O3S/c1-21(2)34-30(36)35(26-11-13-27(14-12-26)39(5,37)38)19-22-8-6-9-23(16-22)28-18-25(31(3,4)20-32)17-24-10-7-15-33-29(24)28/h6-18,21H,19H2,1-5H3,(H,34,36)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM130938
PNG
(US8829190, 116)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C23H23Cl2N5O3/c1-33-19-7-6-17(18(31)10-14-15(24)11-26-12-16(14)25)30-20(19)28-21(29-30)23(8-9-23)22(32)27-13-4-2-3-5-13/h6-7,11-13H,2-5,8-10H2,1H3,(H,27,32)
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US Patent
n/an/a 0.100n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183805
PNG
(1-((3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phenyl)...)
Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)Nc3ccccc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C34H30N4O3S/c1-34(2,23-35)27-20-26-11-8-18-36-32(26)31(21-27)25-10-7-9-24(19-25)22-38(33(39)37-28-12-5-4-6-13-28)29-14-16-30(17-15-29)42(3,40)41/h4-21H,22H2,1-3H3,(H,37,39)
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n/an/a 0.100n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174030
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H27N3O3S/c1-19(2)25-17-24-9-6-14-31-29(24)27(18-25)23-8-5-7-21(15-23)16-28(30-32-20(3)33-36-30)22-10-12-26(13-11-22)37(4,34)35/h5-19H,1-4H3/b28-16+
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n/an/a 0.160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50274031
PNG
(1-(3'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(=O)c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)Nc2nccc(Cl)c2Cl)c(=O)c2cccnc12
Show InChI InChI=1S/C28H18Cl2N4O3/c1-16(35)17-5-2-6-18(13-17)19-7-3-8-20(14-19)34-15-22(25(36)21-9-4-11-32-27(21)34)28(37)33-26-24(30)23(29)10-12-31-26/h2-15H,1H3,(H,31,33,37)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM130937
PNG
(US8829190, 115)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCC(C)(C)C
Show InChI InChI=1S/C23H25Cl2N5O3/c1-22(2,3)12-27-21(32)23(7-8-23)20-28-19-18(33-4)6-5-16(30(19)29-20)17(31)9-13-14(24)10-26-11-15(13)25/h5-6,10-11H,7-9,12H2,1-4H3,(H,27,32)
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n/an/a 0.200n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM130939
PNG
(US8829190, 117)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NC(C)C
Show InChI InChI=1S/C21H21Cl2N5O3/c1-11(2)25-20(30)21(6-7-21)19-26-18-17(31-3)5-4-15(28(18)27-19)16(29)8-12-13(22)9-24-10-14(12)23/h4-5,9-11H,6-8H2,1-3H3,(H,25,30)
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n/an/a 0.200n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50092630
PNG
(8-(3-Azido-phenyl)-6-pyridin-4-ylmethyl-quinoline ...)
Show SMILES [N-]=[N+]=Nc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C21H15N5/c22-26-25-19-5-1-3-17(14-19)20-13-16(11-15-6-9-23-10-7-15)12-18-4-2-8-24-21(18)20/h1-10,12-14H,11H2
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n/an/a 0.200n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183808
PNG
(CHEMBL383225 | N-((3-(6-(2-cyanopropan-2-yl)quinol...)
Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(C(=O)c3ccccc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C34H29N3O3S/c1-34(2,23-35)28-20-27-13-8-18-36-32(27)31(21-28)26-12-7-9-24(19-26)22-37(33(38)25-10-5-4-6-11-25)29-14-16-30(17-15-29)41(3,39)40/h4-21H,22H2,1-3H3
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n/an/a 0.200n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174028
PNG
((E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(/c3ccc(cc3)S(C)(=O)=O)c3ccc(C)cn3)c2)c2ncccc2c1
Show InChI InChI=1S/C33H30N2O2S/c1-22(2)28-19-27-9-6-16-34-33(27)31(20-28)26-8-5-7-24(17-26)18-30(32-15-10-23(3)21-35-32)25-11-13-29(14-12-25)38(4,36)37/h5-22H,1-4H3/b30-18+
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n/an/a 0.200n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM120866
PNG
(US8716478, D253)
Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(cc1Cl)C#N
Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-18-16(20)8-12(9-21)17(22-18)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3
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n/an/a 0.25n/an/an/an/a7.537



Anacor Pharmaceuticals, Inc.

US Patent


Assay Description
Inhibition of the human PDE4 enzyme, using semi-purified enzyme from human U937 cells. The PDE4 enzyme was partially purified from human U937 myeloid...


US Patent US8716478 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174013
PNG
((E)-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(m...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\C(O)=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C28H25NO4S/c1-18(2)23-16-22-8-5-13-29-27(22)25(17-23)21-7-4-6-19(14-21)15-26(28(30)31)20-9-11-24(12-10-20)34(3,32)33/h4-18H,1-3H3,(H,30,31)/b26-15+
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174018
PNG
((E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phe...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)C)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N2O3S/c1-20(2)26-18-25-10-7-15-32-30(25)28(19-26)24-9-6-8-22(16-24)17-29(31(34)33-21(3)4)23-11-13-27(14-12-23)37(5,35)36/h6-21H,1-5H3,(H,33,34)/b29-17+
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50125066
PNG
(CHEMBL165889 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES C[C@@H](N(C)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1
Show InChI InChI=1S/C29H27F4N3O3/c1-19(21-6-4-3-5-7-21)35(2)27-11-9-23(18-34-27)24(16-20-12-14-36(37)15-13-20)22-8-10-25(38-28(30)31)26(17-22)39-29(32)33/h3-15,17-19,24,28-29H,16H2,1-2H3/t19-,24?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50113362
PNG
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C28H33N3O3/c1-3-30-28(32)31-23-8-6-7-21(18-23)25(17-20-13-15-29-16-14-20)22-11-12-26(33-2)27(19-22)34-24-9-4-5-10-24/h6-8,11-16,18-19,24-25H,3-5,9-10,17H2,1-2H3,(H2,30,31,32)/t25-/m1/s1
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n/an/a 0.300n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183803
PNG
(CHEMBL206968 | N-((3-(6-(2-cyanopropan-2-yl)quinol...)
Show SMILES Cc1cc(no1)C(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H28N4O4S/c1-21-15-29(35-40-21)31(37)36(26-10-12-27(13-11-26)41(4,38)39)19-22-7-5-8-23(16-22)28-18-25(32(2,3)20-33)17-24-9-6-14-34-30(24)28/h5-18H,19H2,1-4H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50353703
PNG
(CHEMBL1830646)
Show SMILES CC(C)Nc1nc2oc3c(NCCCN4CCCC4=O)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C25H34N6O2/c1-15(2)29-22-16-8-9-25(3,4)13-17(16)19-20-21(33-24(19)30-22)23(28-14-27-20)26-10-6-12-31-11-5-7-18(31)32/h14-15H,5-13H2,1-4H3,(H,29,30)(H,26,27,28)
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n/an/a 0.300n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM130933
PNG
(US8829190, 111)
Show SMILES CCCNC(=O)C1(CC1)c1nc2c(OC)ccc(C(=O)Cc3c(Cl)cncc3Cl)n2n1
Show InChI InChI=1S/C21H21Cl2N5O3/c1-3-8-25-20(30)21(6-7-21)19-26-18-17(31-2)5-4-15(28(18)27-19)16(29)9-12-13(22)10-24-11-14(12)23/h4-5,10-11H,3,6-9H2,1-2H3,(H,25,30)
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US Patent
n/an/a 0.300n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50183791
PNG
(CHEMBL209295 | isopropyl (3-(6-(2-cyanopropan-2-yl...)
Show SMILES CC(C)OC(=O)N(Cc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H31N3O4S/c1-21(2)38-30(35)34(26-11-13-27(14-12-26)39(5,36)37)19-22-8-6-9-23(16-22)28-18-25(31(3,4)20-32)17-24-10-7-15-33-29(24)28/h6-18,21H,19H2,1-5H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50274188
PNG
(1-(4'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C(C)=O)c2ncccc2c1=O
Show InChI InChI=1S/C26H23N3O3/c1-16(2)28-26(32)23-15-29(25-22(24(23)31)8-5-13-27-25)21-7-4-6-20(14-21)19-11-9-18(10-12-19)17(3)30/h4-16H,1-3H3,(H,28,32)
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n/an/a 0.340n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347344
PNG
(CHEMBL1801156)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-5-2-12-30-27(22)32(16-25(26)28(34)31-15-17-6-7-17)21-4-1-3-20(13-21)18-8-10-19(11-9-18)23-14-24(23)29(35)36/h1-5,8-13,16-17,23-24H,6-7,14-15H2,(H,31,34)(H,35,36)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50274789
PNG
(1-(3'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2cccc(c2)C(C)=O)c2ncccc2c1=O
Show InChI InChI=1S/C26H23N3O3/c1-16(2)28-26(32)23-15-29(25-22(24(23)31)11-6-12-27-25)21-10-5-9-20(14-21)19-8-4-7-18(13-19)17(3)30/h4-16H,1-3H3,(H,28,32)
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n/an/a 0.370n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50092626
PNG
(8-(3-Azido-phenyl)-6-(4-iodo-imidazol-1-ylmethyl)-...)
Show SMILES Ic1cn(Cc2cc(-c3cccc(c3)N=[N+]=[N-])c3ncccc3c2)cn1
Show InChI InChI=1S/C19H13IN6/c20-18-11-26(12-23-18)10-13-7-15-4-2-6-22-19(15)17(8-13)14-3-1-5-16(9-14)24-25-21/h1-9,11-12H,10H2
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n/an/a 0.400n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM130936
PNG
(US8829190, 114)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1ccncc1
Show InChI InChI=1S/C24H20Cl2N6O3/c1-35-20-3-2-18(19(33)10-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-4-8-27-9-5-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,29,34)
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n/an/a 0.400n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174020
PNG
((S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-...)
Show SMILES OC(c1ncc(s1)[C@@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)18-10-32-19(38-18)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174031
PNG
((Z)-2-(4-(2-(3-(6-isopropylquinolin-8-yl)phenyl)-1...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3ccc(cc3)C(C)(C)O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C36H35NO3S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40/h6-24,38H,1-5H3/b33-21-
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n/an/a 0.400n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM14359
PNG
((+)-1 | (S)-(+)-3-{2-[(3-Cyclopropyloxy-4-diflurom...)
Show SMILES OC(c1cnc(s1)[C@@H](Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-6-3-13(9-17(16)36-14-4-5-14)15(8-12-2-1-7-33(35)11-12)19-32-10-18(38-19)21(34,22(26,27)28)23(29,30)31/h1-3,6-7,9-11,14-15,20,34H,4-5,8H2/t15-/m0/s1
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n/an/a 0.400n/an/an/an/a7.522



University of North Carolina at Chapel Hill



Assay Description
PDE4 catalytic activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using PDE-SPA kit (Amersham International). [3H]-AMP was c...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50274027
PNG
(1-(4-chlorophenyl)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES Clc1ccc(cc1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12
Show InChI InChI=1S/C20H11Cl3N4O2/c21-11-3-5-12(6-4-11)27-10-14(18(28)13-2-1-7-25-19(13)27)20(29)26-17-15(22)8-24-9-16(17)23/h1-10H,(H,24,26,29)
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n/an/a 0.450n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347349
PNG
(CHEMBL1801161)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m1/s1
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n/an/a 0.460n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174025
PNG
(6-isopropyl-8-(3-(2-(4-(methylsulfonyl)phenyl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nccs3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H26N2O2S2/c1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h4-20H,1-3H3/b28-17+
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n/an/a 0.470n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50113417
PNG
(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluo...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C28H22F5NO4/c29-22-6-8-23(9-7-22)36-17-19-1-3-20(4-2-19)24(15-18-11-13-34(35)14-12-18)21-5-10-25(37-27(30)31)26(16-21)38-28(32)33/h1-14,16,24,27-28H,15,17H2
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n/an/a 0.5n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50174023
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccccn3)c2)c2ncccc2c1
Show InChI InChI=1S/C28H24N4O/c1-18(2)23-16-22-10-7-13-30-27(22)24(17-23)21-9-6-8-20(14-21)15-25(26-11-4-5-12-29-26)28-31-19(3)32-33-28/h4-18H,1-3H3/b25-15+
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n/an/a 0.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50128685
PNG
(2-{5-[1-(3-Cyclobutoxy-4-difluoromethoxy-phenyl)-2...)
Show SMILES CC(C)(O)c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
Show InChI InChI=1S/C24H26F2N2O4S/c1-24(2,29)22-27-14-21(33-22)18(12-15-8-10-28(30)11-9-15)16-6-7-19(32-23(25)26)20(13-16)31-17-4-3-5-17/h6-11,13-14,17-18,23,29H,3-5,12H2,1-2H3
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n/an/a 0.5n/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...


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM130932
PNG
(US8829190, 110)
Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H21Cl2N5O3/c1-35-21-8-7-19(20(33)11-16-17(26)13-28-14-18(16)27)32-22(21)30-23(31-32)25(9-10-25)24(34)29-12-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,29,34)
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n/an/a 0.5n/an/an/an/an/an/a



Leo Pharma A/S

US Patent


Assay Description
Human recombinant PDE4 (Gene bank accession no NM006203) was incubated for 1 hour with the test compound at concentrations up to 10 μM, with cAM...


US Patent US8829190 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50353700
PNG
(CHEMBL1830643)
Show SMILES CC(C)Nc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2CC(C)(C)CCc12
Show InChI InChI=1S/C24H34N6O2/c1-15(2)28-21-16-5-6-24(3,4)13-17(16)18-19-20(32-23(18)29-21)22(27-14-26-19)25-7-8-30-9-11-31-12-10-30/h14-15H,5-13H2,1-4H3,(H,28,29)(H,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347343
PNG
(CHEMBL1801155)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C27H20F3N3O4/c28-27(29,30)14-32-25(35)22-13-33(24-19(23(22)34)5-2-10-31-24)18-4-1-3-17(11-18)15-6-8-16(9-7-15)20-12-21(20)26(36)37/h1-11,13,20-21H,12,14H2,(H,32,35)(H,36,37)
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n/an/a 0.510n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347345
PNG
(CHEMBL1801157)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CCC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-8-3-13-30-27(22)32(16-25(26)28(34)31-20-5-2-6-20)21-7-1-4-19(14-21)17-9-11-18(12-10-17)23-15-24(23)29(35)36/h1,3-4,7-14,16,20,23-24H,2,5-6,15H2,(H,31,34)(H,35,36)
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n/an/a 0.520n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347348
PNG
(CHEMBL1801160)
Show SMILES OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347335
PNG
(CHEMBL1801068)
Show SMILES OC(=O)C1CC1c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-8-3-11-29-26(21)31(15-24(25)27(33)30-19-9-10-19)20-7-2-5-17(13-20)16-4-1-6-18(12-16)22-14-23(22)28(34)35/h1-8,11-13,15,19,22-23H,9-10,14H2,(H,30,33)(H,34,35)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347339
PNG
(CHEMBL1801151)
Show SMILES O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2c2nnn[nH]2)c2ncccc2c1=O
Show InChI InChI=1S/C28H23N7O2/c36-25-21-5-2-12-29-27(21)35(15-24(25)28(37)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)26-31-33-34-32-26/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,37)(H,31,32,33,34)
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n/an/a 0.550n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347334
PNG
(CHEMBL1801067)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-5-2-12-29-26(21)31(15-24(25)27(33)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)28(34)35/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,33)(H,34,35)
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n/an/a 0.570n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50347342
PNG
(CHEMBL1801154)
Show SMILES CC1(CC1)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1=O
Show InChI InChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
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n/an/a 0.580n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM14774
PNG
(3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl...)
Show SMILES FC(F)Oc1ccc(cc1OCC1CC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C17H14Cl2F2N2O3/c18-11-6-22-7-12(19)15(11)23-16(24)10-3-4-13(26-17(20)21)14(5-10)25-8-9-1-2-9/h3-7,9,17H,1-2,8H2,(H,22,23,24)
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n/an/a 0.590n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A4 assessed as inhibition of [3H]cAMP hydrolysis to [3H]AMP after 15 mins by scintillation proximity assay


Citation and Details
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50092623
PNG
(3-Benzyl-5-phenyl-3,5-dihydro-1,3,5,6-tetraaza-cyc...)
Show SMILES O=c1n(-c2ccccc2)c2ncccc2c2ncn(Cc3ccccc3)c12
Show InChI InChI=1S/C22H16N4O/c27-22-20-19(24-15-25(20)14-16-8-3-1-4-9-16)18-12-7-13-23-21(18)26(22)17-10-5-2-6-11-17/h1-13,15H,14H2
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n/an/a 0.600n/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)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50125065
PNG
(CHEMBL165687 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES CCN([C@H](C)c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C30H29F4N3O3/c1-3-37(20(2)22-7-5-4-6-8-22)28-12-10-24(19-35-28)25(17-21-13-15-36(38)16-14-21)23-9-11-26(39-29(31)32)27(18-23)40-30(33)34/h4-16,18-20,25,29-30H,3,17H2,1-2H3/t20-,25?/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)

More data for this
Ligand-Target Pair
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