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Compile Data Set for Download or QSAR

Found 875 hits of ic50 data for polymerid = 1180   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
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)


Article DOI: 10.1021/jm000065c
BindingDB Entry DOI: 10.7270/Q23T9GG9
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


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
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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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-PDE4A


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
More data for this
Ligand-Target Pair
Phosphodiesterase 4 (PDE4)


(Homo sapiens (Human))
BDBM336125
PNG
(US9738676, Comparative Compound A)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCOc3cc(ccc3CO)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC
Show InChI InChI=1S/C51H72Cl2N4O15S/c1-11-37-51(8)38(43(47(64)72-51)73-19-18-68-36-21-31(12-13-32(36)25-58)45(62)55-39-33(52)23-54-24-34(39)53)28(4)40(59)26(2)22-50(7,66-10)44(29(5)41(60)30(6)46(63)70-37)71-48-42(61)35(20-27(3)69-48)56(9)49(65)57-14-16-67-17-15-57/h12-13,21,23-24,26-30,35,37-38,41-44,48,58,60-61H,11,14-20,22,25H2,1-10H3,(H,54,55,62)/t26-,27-,28-,29+,30-,35+,37-,38+,41+,42-,43+,44-,48+,50-,51-/m1/s1
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n/an/a 0.100n/an/an/an/an/an/a



Basilea Pharmaceutica AG

US Patent


Assay Description
PDEs specifically hydrolyze cAMP and/or cGMP and release the product AMP and/or GMP. The potency of PDE inhibition by test compounds is determined wi...


US Patent US9738676 (2017)


Article DOI: 10.1073/pnas.0504952102
BindingDB Entry DOI: 10.7270/Q2Z60R65
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


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
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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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)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
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


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
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)


Article DOI: 10.1021/jm000065c
BindingDB Entry DOI: 10.7270/Q23T9GG9
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)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
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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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)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM120866
PNG
(US8716478, D253 | US9499570, 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)


BindingDB Entry DOI: 10.7270/Q2Z60MQ7
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


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
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)


Article DOI: 10.1016/s0960-894x(02)00202-0
BindingDB Entry DOI: 10.7270/Q22J6B5D
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


Eur J Med Chem 46: 4946-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.054
BindingDB Entry DOI: 10.7270/Q2VM4CPM
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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)


Article DOI: 10.1016/s0960-894x(02)01030-2
BindingDB Entry DOI: 10.7270/Q2PG1R3G
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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


Bioorg Med Chem Lett 16: 2608-12 (2006)


Article DOI: 10.1016/j.bmcl.2006.02.043
BindingDB Entry DOI: 10.7270/Q2F18Z9N
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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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)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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...


J Med Chem 49: 1867-73 (2006)


Article DOI: 10.1021/jm051273d
BindingDB Entry DOI: 10.7270/Q2MK6B48
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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US Patent
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)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
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)


Article DOI: 10.1021/jm000065c
BindingDB Entry DOI: 10.7270/Q23T9GG9
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


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
Phosphodiesterase 4A (PDE4)


(Homo sapiens (Human))
BDBM285634
PNG
(3-(4-chloro-3,5-difluoro-phenyl)-N-cyclopropyl-imi...)
Show SMILES Fc1cc(cc(F)c1Cl)-c1c(nc2cccnn12)C(=O)NC1CC1
Show InChI InChI=1S/C16H11ClF2N4O/c17-13-10(18)6-8(7-11(13)19)15-14(16(24)21-9-3-4-9)22-12-2-1-5-20-23(12)15/h1-2,5-7,9H,3-4H2,(H,21,24)
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US Patent
n/an/a<0.488n/an/an/an/an/an/a



Pfizer Inc

US Patent


Assay Description
The PDE4A3, PDE4B1, PDE4C1 and PDE4D3 assays use the Scintillation Proximity Assay (SPA) technology to measure the inhibition of human recombinant PD...


US Patent US9598421 (2017)


Article DOI: 10.1021/jm030933g
BindingDB Entry DOI: 10.7270/Q2K939KG
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)


BindingDB Entry DOI: 10.7270/Q2Z89B3Z
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


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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)


Article DOI: 10.1016/s0960-894x(02)00190-7
BindingDB Entry DOI: 10.7270/Q2KP82PM
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


Eur J Med Chem 46: 4946-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.054
BindingDB Entry DOI: 10.7270/Q2VM4CPM
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...


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
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


Eur J Med Chem 46: 4946-56 (2011)


Article DOI: 10.1016/j.ejmech.2011.07.054
BindingDB Entry DOI: 10.7270/Q2VM4CPM
More data for this
Ligand-Target Pair
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