Found 989 hits Enz. Inhib. hit(s) with all data for entry = 50044550 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50347339
(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) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.570 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50128419
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50092623
(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 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q23T9GG9 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50183797
(CHEMBL207996 | N-(3,5-dichloropyridin-4-yl)-3-(6-(...)Show SMILES CC(C)(c1cc(-c2cccc(c2)C(=O)Nc2c(Cl)cncc2Cl)c2ncccc2c1)S(C)(=O)=O Show InChI InChI=1S/C25H21Cl2N3O3S/c1-25(2,34(3,32)33)18-11-16-8-5-9-29-22(16)19(12-18)15-6-4-7-17(10-15)24(31)30-23-20(26)13-28-14-21(23)27/h4-14H,1-3H3,(H,28,30,31) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50183798
(1-((2-fluoro-5-(6-(2-(methylsulfonyl)propan-2-yl)q...)Show SMILES CC(C)NC(=O)N(Cc1cc(ccc1F)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H34FN3O5S2/c1-20(2)34-30(36)35(25-10-12-26(13-11-25)41(5,37)38)19-23-16-21(9-14-28(23)32)27-18-24(31(3,4)42(6,39)40)17-22-8-7-15-33-29(22)27/h7-18,20H,19H2,1-6H3,(H,34,36) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50125065
(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 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2PG1R3G |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50274189
(1-(4'-Methanesulfonyl-biphenyl-3-yl)-4-oxo-1,4-dih...)Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)S(C)(=O)=O)c2ncccc2c1=O Show InChI InChI=1S/C25H23N3O4S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(12-10-17)33(3,31)32/h4-16H,1-3H3,(H,27,30) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50347347
(CHEMBL1801159)Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r| 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)/t22-,23+/m1/s1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM285598
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C17H14ClFN4O/c1-9-4-5-10(7-11(9)18)16-15(17(24)21-13-8-12(13)19)22-14-3-2-6-20-23(14)16/h2-7,12-13H,8H2,1H3,(H,21,24)/t12-,13+/m0/s1 | PDB MMDB
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| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <0.669 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2K939KG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM285598
(3-(3-chloro-4-methylphenyl)-N-[(1R,2S)-2-fluorocyc...)Show SMILES Cc1ccc(cc1Cl)-c1c(nc2cccnn12)C(=O)N[C@@H]1C[C@@H]1F |r| Show InChI InChI=1S/C17H14ClFN4O/c1-9-4-5-10(7-11(9)18)16-15(17(24)21-13-8-12(13)19)22-14-3-2-6-20-23(14)16/h2-7,12-13H,8H2,1H3,(H,21,24)/t12-,13+/m0/s1 | PDB MMDB
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| PC cid PC sid UniChem
| US Patent
| n/a | n/a | <0.669 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
US Patent
| Assay Description Human PDE4A3 coding sequence (amino acids 2 to 825 from the sequence with accession number NP_001104779) was cloned into the baculovirus expression v... |
US Patent US10669279 (2020)
BindingDB Entry DOI: 10.7270/Q2765JC9 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM14774
(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) | PDB MMDB
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128692
(5-{2-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-2-[...)Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1ccc(=O)[nH]c1)c1ccc(OC(F)F)c(OC2CC2)c1 Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,31)22-9-5-17(14-28-22)19(11-15-3-10-23(30)29-13-15)16-4-8-20(33-24(26)27)21(12-16)32-18-6-7-18/h3-5,8-10,12-14,18-19,24,31H,6-7,11H2,1-2H3,(H,29,30) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM130935
(US8829190, 113)Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C24H20Cl2N6O3/c1-35-20-5-4-18(19(33)9-15-16(25)12-28-13-17(15)26)32-21(20)30-22(31-32)24(6-7-24)23(34)29-11-14-3-2-8-27-10-14/h2-5,8,10,12-13H,6-7,9,11H2,1H3,(H,29,34) | PDB MMDB
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| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50274063
(1-(4'-Methylsulfanyl-biphenyl-3-yl)-4-oxo-1,4-dihy...)Show SMILES CSc1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC(C)C)c(=O)c2cccnc12 Show InChI InChI=1S/C25H23N3O2S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(31-3)12-10-17/h4-16H,1-3H3,(H,27,30) | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50125057
(CHEMBL351187 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)Show SMILES CC(C)(Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1 Show InChI InChI=1S/C29H27F4N3O3/c1-29(2,22-6-4-3-5-7-22)35-26-11-9-21(18-34-26)23(16-19-12-14-36(37)15-13-19)20-8-10-24(38-27(30)31)25(17-20)39-28(32)33/h3-15,17-18,23,27-28H,16H2,1-2H3,(H,34,35) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2PG1R3G |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50245245
(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(1-meth...)Show SMILES CC(C)(Nc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1 Show InChI InChI=1S/C30H28F4N2O3/c1-30(2,23-6-4-3-5-7-23)35-24-11-8-21(9-12-24)25(18-20-14-16-36(37)17-15-20)22-10-13-26(38-28(31)32)27(19-22)39-29(33)34/h3-17,19,25,28-29,35H,18H2,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Matrix Laboratories Limited
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PDE4A |
J Med Chem 51: 5471-89 (2008)
Article DOI: 10.1021/jm800582j BindingDB Entry DOI: 10.7270/Q2GQ6ZNK |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM120845
(US8716478, D231 | US9499570, D231)Show SMILES CC(=O)CCCOc1nc(Oc2ccc3B(O)OCc3c2)c(Cl)cc1C#N Show InChI InChI=1S/C18H16BClN2O5/c1-11(23)3-2-6-25-17-12(9-21)8-16(20)18(22-17)27-14-4-5-15-13(7-14)10-26-19(15)24/h4-5,7-8,24H,2-3,6,10H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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)) | BDBM50174029
((E)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17+ | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50125062
(CHEMBL162485 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)Show SMILES CN(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C27H23F4N3O3/c1-33(21-5-3-2-4-6-21)25-10-8-20(17-32-25)22(15-18-11-13-34(35)14-12-18)19-7-9-23(36-26(28)29)24(16-19)37-27(30)31/h2-14,16-17,22,26-27H,15H2,1H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2PG1R3G |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128423
(CHEMBL299931 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)Show SMILES OC(c1ccccc1)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C33H26F4N2O4/c34-31(35)42-28-13-11-23(20-29(28)43-32(36)37)27(19-22-15-17-39(41)18-16-22)24-12-14-30(38-21-24)33(40,25-7-3-1-4-8-25)26-9-5-2-6-10-26/h1-18,20-21,27,31-32,40H,19H2 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128428
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(C)C(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C30H28F4N2O4/c1-19(2)30(37,23-6-4-3-5-7-23)27-11-9-22(18-35-27)24(16-20-12-14-36(38)15-13-20)21-8-10-25(39-28(31)32)26(17-21)40-29(33)34/h3-15,17-19,24,28-29,37H,16H2,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50113380
(4-{(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-[4-...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(cc1)N1CCCS1(=O)=O Show InChI InChI=1S/C28H32N2O4S/c1-33-27-12-9-23(20-28(27)34-25-5-2-3-6-25)26(19-21-13-15-29-16-14-21)22-7-10-24(11-8-22)30-17-4-18-35(30,31)32/h7-16,20,25-26H,2-6,17-19H2,1H3/t26-/m1/s1 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Celltech R&D Ltd.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant phosphodiesterase 4A |
Bioorg Med Chem Lett 12: 1451-6 (2002)
BindingDB Entry DOI: 10.7270/Q22J6B5D |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50347338
(CHEMBL1801071)Show SMILES CC(C)(CC(O)=O)c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 Show InChI InChI=1S/C29H27N3O4/c1-29(2,16-25(33)34)20-10-8-18(9-11-20)19-5-3-6-22(15-19)32-17-24(28(36)31-21-12-13-21)26(35)23-7-4-14-30-27(23)32/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,31,36)(H,33,34) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50347337
(CHEMBL1801070)Show SMILES CC(C)(Cc1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12)C(O)=O Show InChI InChI=1S/C29H27N3O4/c1-29(2,28(35)36)16-18-8-10-19(11-9-18)20-5-3-6-22(15-20)32-17-24(27(34)31-21-12-13-21)25(33)23-7-4-14-30-26(23)32/h3-11,14-15,17,21H,12-13,16H2,1-2H3,(H,31,34)(H,35,36) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.880 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50174015
((E)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)-3-(3-...)Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H34N2O5S2/c1-21(2)34-31(35)29(23-12-14-27(15-13-23)40(5,36)37)18-22-9-7-10-24(17-22)28-20-26(32(3,4)41(6,38)39)19-25-11-8-16-33-30(25)28/h7-21H,1-6H3,(H,34,35)/b29-18+ | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50353706
(CHEMBL1828652)Show SMILES CC(C)Nc1nc2oc3c(NCc4cccnc4)ncnc3c2c2CC(C)(C)CCc12 Show InChI InChI=1S/C24H28N6O/c1-14(2)29-21-16-7-8-24(3,4)10-17(16)18-19-20(31-23(18)30-21)22(28-13-27-19)26-12-15-6-5-9-25-11-15/h5-6,9,11,13-14H,7-8,10,12H2,1-4H3,(H,29,30)(H,26,27,28) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50174021
((Z)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)Show SMILES CC(C)NC(=O)C(=C/c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17- | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50183795
(2-(8-(3-(((4-fluorobenzyl)(4-(methylsulfonyl)pheny...)Show SMILES CC(C)(C#N)c1cc(-c2cccc(CN(Cc3ccc(F)cc3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1 Show InChI InChI=1S/C34H30FN3O2S/c1-34(2,23-36)28-19-27-8-5-17-37-33(27)32(20-28)26-7-4-6-25(18-26)22-38(21-24-9-11-29(35)12-10-24)30-13-15-31(16-14-30)41(3,39)40/h4-20H,21-22H2,1-3H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50174022
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+ | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM130934
(US8829190, 112)Show SMILES COc1ccc(C(=O)Cc2c(Cl)cncc2Cl)n2nc(nc12)C1(CC1)C(=O)NCc1ccccn1 Show InChI InChI=1S/C24H20Cl2N6O3/c1-35-20-6-5-18(19(33)10-15-16(25)12-27-13-17(15)26)32-21(20)30-22(31-32)24(7-8-24)23(34)29-11-14-4-2-3-9-28-14/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,29,34) | PDB MMDB
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| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50128686
(2-{5-[1-(3-Cyclobutoxy-4-difluoromethoxy-phenyl)-2...)Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1 Show InChI InChI=1S/C26H28F2N2O4/c1-26(2,31)24-9-7-19(16-29-24)21(14-17-10-12-30(32)13-11-17)18-6-8-22(34-25(27)28)23(15-18)33-20-4-3-5-20/h6-13,15-16,20-21,25,31H,3-5,14H2,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50347346
(CHEMBL1801158)Show SMILES OC(=O)[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r| 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)/t22-,23+/m0/s1 | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50128417
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CCC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C29H26F4N2O4/c1-2-29(36,22-6-4-3-5-7-22)26-11-9-21(18-34-26)23(16-19-12-14-35(37)15-13-19)20-8-10-24(38-27(30)31)25(17-20)39-28(32)33/h3-15,17-18,23,27-28,36H,2,16H2,1H3 | PDB MMDB
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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase-4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50128419
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3 | PDB MMDB
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Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM120855
(US8716478, D241 | US9499570, D241)Show SMILES CC(C)OCCOc1nc(Oc2ccc3B(O)OCc3c2)cc(c1C#N)C(F)(F)F Show InChI InChI=1S/C19H18BF3N2O5/c1-11(2)27-5-6-28-18-14(9-24)15(19(21,22)23)8-17(25-18)30-13-3-4-16-12(7-13)10-29-20(16)26/h3-4,7-8,11,26H,5-6,10H2,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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)) | BDBM50128420
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)Show SMILES CC(O)(C1CCCCC1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H30F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h7-14,16-17,21-22,26-27,35H,2-6,15H2,1H3 | PDB MMDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Phosphodiesterase 4A (PDE4) |
Bioorg Med Chem Lett 13: 1923-6 (2003)
BindingDB Entry DOI: 10.7270/Q25X289K |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50548531
(CHEMBL4747201)Show SMILES COc1ccc(-c2ccc3C(=O)OCc3c2)n2nc(nc12)C1(CC1)C(=O)OCC(C)C | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PDE4A catalytic domain using cAMP and FAM-conjugated cAMP by IMAP FRET progressive binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c00797 BindingDB Entry DOI: 10.7270/Q2T43XPQ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50125063
(Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1...)Show SMILES [O-][n+]1ccc(CC(c2ccc(NCc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1 Show InChI InChI=1S/C27H23F4N3O3/c28-26(29)36-23-8-6-20(15-24(23)37-27(30)31)22(14-18-10-12-34(35)13-11-18)21-7-9-25(33-17-21)32-16-19-4-2-1-3-5-19/h1-13,15,17,22,26-27H,14,16H2,(H,32,33) | PDB MMDB
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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)
BindingDB Entry DOI: 10.7270/Q2PG1R3G |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50125064
(Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1...)Show SMILES CN(Cc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C28H25F4N3O3/c1-34(18-20-5-3-2-4-6-20)26-10-8-22(17-33-26)23(15-19-11-13-35(36)14-12-19)21-7-9-24(37-27(29)30)25(16-21)38-28(31)32/h2-14,16-17,23,27-28H,15,18H2,1H3 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2PG1R3G |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM120853
(US8716478, D239 | US9499570, D239)Show SMILES OB1OCc2cc(Oc3nc(OCCOC4CC4)c(cc3Cl)C#N)ccc12 Show InChI InChI=1S/C18H16BClN2O5/c20-16-8-11(9-21)17(25-6-5-24-13-1-2-13)22-18(16)27-14-3-4-15-12(7-14)10-26-19(15)23/h3-4,7-8,13,23H,1-2,5-6,10H2 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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)) | BDBM50119355
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3-meth...)Show SMILES Cc1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C25H19F10NO4/c1-13-12-36(38)9-8-15(13)10-18(16-4-7-19(39-21(26)27)20(11-16)40-22(28)29)14-2-5-17(6-3-14)23(37,24(30,31)32)25(33,34)35/h2-9,11-12,18,21-22,37H,10H2,1H3 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
Patents
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| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2PG1R3G |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM120860
(US8716478, D246 | US9499570, D246)Show SMILES CC(=O)CCCOc1nc(Oc2cc3COB(O)c3c(C)c2)c(Cl)cc1C#N Show InChI InChI=1S/C19H18BClN2O5/c1-11-6-15(7-14-10-27-20(25)17(11)14)28-19-16(21)8-13(9-22)18(23-19)26-5-3-4-12(2)24/h6-8,25H,3-5,10H2,1-2H3 | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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)) | BDBM50119355
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3-meth...)Show SMILES Cc1c[n+]([O-])ccc1CC(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1 Show InChI InChI=1S/C25H19F10NO4/c1-13-12-36(38)9-8-15(13)10-18(16-4-7-19(39-21(26)27)20(11-16)40-22(28)29)14-2-5-17(6-3-14)23(37,24(30,31)32)25(33,34)35/h2-9,11-12,18,21-22,37H,10H2,1H3 | PDB MMDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Matrix Laboratories Limited
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged PDE4A |
J Med Chem 51: 5471-89 (2008)
Article DOI: 10.1021/jm800582j BindingDB Entry DOI: 10.7270/Q2GQ6ZNK |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50174022
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+ | PDB MMDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research
Curated by ChEMBL
| Assay Description Inhibition of human PDE4A |
Bioorg Med Chem Lett 20: 5502-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.076 BindingDB Entry DOI: 10.7270/Q2K35TVZ |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50174022
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+ | PDB MMDB
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50174022
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+ | PDB MMDB
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CHEMBL PC cid PC sid UniChem
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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 | |