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Compile Data Set for Download or QSAR

Found 3178 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113877
BindingDB Entry DOI: 10.7270/Q2PK0M78
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50415001
PNG
(CHEMBL570015 | GSK-256066 | GSK-256066 (3))
Show SMILES COc1cccc(Nc2c(cnc3c(C)cc(cc23)S(=O)(=O)c2cccc(c2)C(=O)N(C)C)C(N)=O)c1
Show InChI InChI=1S/C27H26N4O5S/c1-16-11-21(37(34,35)20-10-5-7-17(12-20)27(33)31(2)3)14-22-24(16)29-15-23(26(28)32)25(22)30-18-8-6-9-19(13-18)36-4/h5-15H,1-4H3,(H2,28,32)(H,29,30)
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TBA

Assay Description
Inhibition of human PDE4 expressed in Saccharomyces cerevisiae preincubated for 30 mins followed by cAMP substrate addition


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02170
BindingDB Entry DOI: 10.7270/Q2W95DVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495704
PNG
(Chf-6001 | Chf6001 | J3.309.618F)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1
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TBA

Assay Description
Inhibition of PDE4 in human U937 cell lysate using cAMP as substrate by LANCE assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02170
BindingDB Entry DOI: 10.7270/Q2W95DVV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495736
PNG
(CHEMBL3113948)
Show SMILES CNS(=O)(=O)c1cc(ccc1OC)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-32-42(36,37)25-10-17(6-8-22(25)38-2)26(34)40-23(11-18-19(28)12-33(35)13-20(18)29)16-5-7-21(41-27(30)31)24(9-16)39-14-15-3-4-15/h5-10,12-13,15,23,27,32H,3-4,11,14H2,1-2H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495709
PNG
(CHEMBL3113966)
Show SMILES Cc1ccc(cc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O7S/c1-15-3-6-18(9-22(15)32-41(2,36)37)26(34)39-24(11-19-20(28)12-33(35)13-21(19)29)17-7-8-23(40-27(30)31)25(10-17)38-14-16-4-5-16/h3,6-10,12-13,16,24,27,32H,4-5,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50199701
PNG
(CHEMBL3968147)
Show SMILES CCn1nc(cc(NC(=O)Nc2c(Cl)cncc2Cl)c1=O)-c1cccc(c1)-c1cccc(c1)C(=O)NCCCCCCCN(C)CCO
Show InChI InChI=1S/C35H41Cl2N7O4/c1-3-44-34(47)31(40-35(48)41-32-28(36)22-38-23-29(32)37)21-30(42-44)26-13-9-11-24(19-26)25-12-10-14-27(20-25)33(46)39-15-7-5-4-6-8-16-43(2)17-18-45/h9-14,19-23,45H,3-8,15-18H2,1-2H3,(H,39,46)(H2,38,40,41,48)
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TBA

Assay Description
Inhibition of PDE4 (unknown origin) expressed in Saccharomyces cerevisiae using [3H] cAMP as substrate incubated for 1 hr by scintillation proximity ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02170
BindingDB Entry DOI: 10.7270/Q2W95DVV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495750
PNG
(CHEMBL3113949)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)C)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C28H28Cl2F2N2O8S/c1-33(2)43(37,38)26-11-18(7-9-23(26)39-3)27(35)41-24(12-19-20(29)13-34(36)14-21(19)30)17-6-8-22(42-28(31)32)25(10-17)40-15-16-4-5-16/h6-11,13-14,16,24,28H,4-5,12,15H2,1-3H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495735
PNG
(CHEMBL3113954)
Show SMILES CS(=O)(=O)Nc1ccc(cc1CO)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-42(37,38)32-22-6-4-17(8-18(22)13-34)26(35)40-24(10-19-20(28)11-33(36)12-21(19)29)16-5-7-23(41-27(30)31)25(9-16)39-14-15-2-3-15/h4-9,11-12,15,24,27,32,34H,2-3,10,13-14H2,1H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495733
PNG
(CHEMBL3113962)
Show SMILES Oc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C29H27Cl2F2NO7/c30-21-12-34(37)13-22(31)20(21)11-25(18-6-8-24(41-29(32)33)27(9-18)39-15-17-3-4-17)40-28(36)19-5-7-23(35)26(10-19)38-14-16-1-2-16/h5-10,12-13,16-17,25,29,35H,1-4,11,14-15H2/t25-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495747
PNG
(CHEMBL3113968)
Show SMILES COc1ccc(NS(C)(=O)=O)cc1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-38-22-8-6-17(32-42(2,36)37)10-19(22)26(34)40-24(11-18-20(28)12-33(35)13-21(18)29)16-5-7-23(41-27(30)31)25(9-16)39-14-15-3-4-15/h5-10,12-13,15,24,27,32H,3-4,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495710
PNG
(CHEMBL3113976)
Show SMILES COc1ccc(cc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-38-22-7-6-17(9-21(22)32-42(2,36)37)26(34)40-24(11-18-19(28)12-33(35)13-20(18)29)16-5-8-23(41-27(30)31)25(10-16)39-14-15-3-4-15/h5-10,12-13,15,24,27,32H,3-4,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495704
PNG
(Chf-6001 | Chf6001 | J3.309.618F)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495703
PNG
(CHEMBL3113943)
Show SMILES COc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H29Cl2F2NO7/c1-38-24-8-7-20(11-27(24)39-15-17-2-3-17)29(36)41-26(12-21-22(31)13-35(37)14-23(21)32)19-6-9-25(42-30(33)34)28(10-19)40-16-18-4-5-18/h6-11,13-14,17-18,26,30H,2-5,12,15-16H2,1H3/t26-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495725
PNG
(CHEMBL3113946)
Show SMILES COc1ccc(cc1OC(C)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C28H25Cl2F2NO8/c1-15(34)39-26-10-18(6-7-22(26)37-2)27(35)40-24(11-19-20(29)12-33(36)13-21(19)30)17-5-8-23(41-28(31)32)25(9-17)38-14-16-3-4-16/h5-10,12-13,16,24,28H,3-4,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495724
PNG
(CHEMBL3113950)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C26H24Cl2F2N2O7S/c1-40(35,36)31-18-7-4-16(5-8-18)25(33)38-23(11-19-20(27)12-32(34)13-21(19)28)17-6-9-22(39-26(29)30)24(10-17)37-14-15-2-3-15/h4-10,12-13,15,23,26,31H,2-3,11,14H2,1H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495703
PNG
(CHEMBL3113943)
Show SMILES COc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H29Cl2F2NO7/c1-38-24-8-7-20(11-27(24)39-15-17-2-3-17)29(36)41-26(12-21-22(31)13-35(37)14-23(21)32)19-6-9-25(42-30(33)34)28(10-19)40-16-18-4-5-18/h6-11,13-14,17-18,26,30H,2-5,12,15-16H2,1H3/t26-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495746
PNG
(CHEMBL3113953)
Show SMILES Cc1cc(ccc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O7S/c1-15-9-18(5-7-22(15)32-41(2,36)37)26(34)39-24(11-19-20(28)12-33(35)13-21(19)29)17-6-8-23(40-27(30)31)25(10-17)38-14-16-3-4-16/h5-10,12-13,16,24,27,32H,3-4,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50559711
PNG
(CHEMBL4800045)
Show SMILES CCNC(=O)c1cc(cc(c1)-c1cc(NC(=O)Nc2c(Cl)cncc2Cl)c(=O)n(CC)n1)C(=O)NCCCN(C)C
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TBA

Assay Description
Inhibition of PDE4 (unknown origin) expressed in Saccharomyces cerevisiae using [3H] cAMP as substrate incubated for 1 hr by scintillation proximity ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.9b02170
BindingDB Entry DOI: 10.7270/Q2W95DVV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495705
PNG
(CHEMBL3113964)
Show SMILES OC(=O)c1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H27Cl2F2NO8/c31-22-12-35(39)13-23(32)21(22)11-25(18-6-8-24(43-30(33)34)27(9-18)41-15-17-3-4-17)42-29(38)19-5-7-20(28(36)37)26(10-19)40-14-16-1-2-16/h5-10,12-13,16-17,25,30H,1-4,11,14-15H2,(H,36,37)/t25-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50223276
PNG
(CHEMBL65426)
Show SMILES ONC(=O)CN1CCC(CC1)(C#N)c1ccc(OC(F)F)c(OC2CCCC2)c1
Show InChI InChI=1S/C20H25F2N3O4/c21-19(22)29-16-6-5-14(11-17(16)28-15-3-1-2-4-15)20(13-23)7-9-25(10-8-20)12-18(26)24-27/h5-6,11,15,19,27H,1-4,7-10,12H2,(H,24,26)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495710
PNG
(CHEMBL3113976)
Show SMILES COc1ccc(cc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-38-22-7-6-17(9-21(22)32-42(2,36)37)26(34)40-24(11-18-19(28)12-33(35)13-20(18)29)16-5-8-23(41-27(30)31)25(10-16)39-14-15-3-4-15/h5-10,12-13,15,24,27,32H,3-4,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495718
PNG
(CHEMBL3113967)
Show SMILES CS(=O)(=O)Nc1cc(OCC2CC2)cc(c1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-21-8-20(9-22(11-21)41-15-17-2-3-17)29(37)43-27(12-23-24(31)13-36(38)14-25(23)32)19-6-7-26(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,27,30,35H,2-5,12,15-16H2,1H3/t27-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
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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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/4B/4C/4D


(Homo sapiens (Human))
BDBM50495722
PNG
(CHEMBL3113955)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-38-24-10-17(32-42(2,36)37)6-7-18(24)26(34)40-23(11-19-20(28)12-33(35)13-21(19)29)16-5-8-22(41-27(30)31)25(9-16)39-14-15-3-4-15/h5-10,12-13,15,23,27,32H,3-4,11,14H2,1-2H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495704
PNG
(Chf-6001 | Chf6001 | J3.309.618F)
Show SMILES CS(=O)(=O)Nc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-8-6-20(11-27(24)41-15-17-2-3-17)29(37)43-26(12-21-22(31)13-36(38)14-23(21)32)19-7-9-25(44-30(33)34)28(10-19)42-16-18-4-5-18/h6-11,13-14,17-18,26,30,35H,2-5,12,15-16H2,1H3/t26-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495723
PNG
(CHEMBL3113951)
Show SMILES COc1cc(ccc1NS(C)(=O)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-38-24-10-17(5-7-21(24)32-42(2,36)37)26(34)40-23(11-18-19(28)12-33(35)13-20(18)29)16-6-8-22(41-27(30)31)25(9-16)39-14-15-3-4-15/h5-10,12-13,15,23,27,32H,3-4,11,14H2,1-2H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495731
PNG
(CHEMBL3113978)
Show SMILES COc1ccc(cc1OC)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H25Cl2F2NO7/c1-35-21-7-6-17(10-24(21)36-2)26(33)38-23(11-18-19(28)12-32(34)13-20(18)29)16-5-8-22(39-27(30)31)25(9-16)37-14-15-3-4-15/h5-10,12-13,15,23,27H,3-4,11,14H2,1-2H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
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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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/4B/4C/4D


(Homo sapiens (Human))
BDBM50495729
PNG
(CHEMBL3113937)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccccc2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r|
Show InChI InChI=1S/C25H21Cl2F2NO5/c26-19-12-30(32)13-20(27)18(19)11-22(34-24(31)16-4-2-1-3-5-16)17-8-9-21(35-25(28)29)23(10-17)33-14-15-6-7-15/h1-5,8-10,12-13,15,22,25H,6-7,11,14H2/t22-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495719
PNG
(CHEMBL3113963)
Show SMILES OCc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H29Cl2F2NO7/c31-23-12-35(38)13-24(32)22(23)11-27(19-7-8-25(42-30(33)34)28(9-19)40-16-18-3-4-18)41-29(37)20-5-6-21(14-36)26(10-20)39-15-17-1-2-17/h5-10,12-13,17-18,27,30,36H,1-4,11,14-16H2/t27-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50223272
PNG
(CHEMBL67668)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(CCN(CC(=O)NO)CC1)C#N
Show InChI InChI=1S/C20H27N3O4/c1-26-17-7-6-15(12-18(17)27-16-4-2-3-5-16)20(14-21)8-10-23(11-9-20)13-19(24)22-25/h6-7,12,16,25H,2-5,8-11,13H2,1H3,(H,22,24)
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Minase Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4 (PDE4) prepared from human U937 cells


Bioorg Med Chem Lett 14: 207-10 (2004)


BindingDB Entry DOI: 10.7270/Q21G0PFV
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495701
PNG
(CHEMBL3113947)
Show SMILES COc1ccc(cc1NC(C)=O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C28H26Cl2F2N2O7/c1-15(35)33-22-9-18(6-7-23(22)38-2)27(36)40-25(11-19-20(29)12-34(37)13-21(19)30)17-5-8-24(41-28(31)32)26(10-17)39-14-16-3-4-16/h5-10,12-13,16,25,28H,3-4,11,14H2,1-2H3,(H,33,35)/t25-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495726
PNG
(CHEMBL3113945)
Show SMILES COc1ccc(cc1O)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C26H23Cl2F2NO7/c1-35-21-6-5-16(8-20(21)32)25(33)37-23(10-17-18(27)11-31(34)12-19(17)28)15-4-7-22(38-26(29)30)24(9-15)36-13-14-2-3-14/h4-9,11-12,14,23,26,32H,2-3,10,13H2,1H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495734
PNG
(CHEMBL3113958)
Show SMILES Nc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C29H28Cl2F2N2O6/c30-21-12-35(37)13-22(31)20(21)11-25(18-6-8-24(41-29(32)33)27(9-18)39-15-17-3-4-17)40-28(36)19-5-7-23(34)26(10-19)38-14-16-1-2-16/h5-10,12-13,16-17,25,29H,1-4,11,14-15,34H2/t25-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495738
PNG
(CHEMBL3113939)
Show SMILES Cc1ccc(cc1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C26H23Cl2F2NO5/c1-15-2-6-17(7-3-15)25(32)35-23(11-19-20(27)12-31(33)13-21(19)28)18-8-9-22(36-26(29)30)24(10-18)34-14-16-4-5-16/h2-3,6-10,12-13,16,23,26H,4-5,11,14H2,1H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2Z60R65
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
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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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))
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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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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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/4B/4C/4D


(Homo sapiens (Human))
BDBM50495734
PNG
(CHEMBL3113958)
Show SMILES Nc1ccc(cc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C29H28Cl2F2N2O6/c30-21-12-35(37)13-22(31)20(21)11-25(18-6-8-24(41-29(32)33)27(9-18)39-15-17-3-4-17)40-28(36)19-5-7-23(34)26(10-19)38-14-16-1-2-16/h5-10,12-13,16-17,25,29H,1-4,11,14-15,34H2/t25-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495708
PNG
(CHEMBL3113975)
Show SMILES CS(=O)(=O)Nc1cc(ccc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-10-20(7-8-25(24)41-15-17-2-3-17)29(37)43-27(12-21-22(31)13-36(38)14-23(21)32)19-6-9-26(44-30(33)34)28(11-19)42-16-18-4-5-18/h6-11,13-14,17-18,27,30,35H,2-5,12,15-16H2,1H3/t27-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495731
PNG
(CHEMBL3113978)
Show SMILES COc1ccc(cc1OC)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H25Cl2F2NO7/c1-35-21-7-6-17(10-24(21)36-2)26(33)38-23(11-18-19(28)12-32(34)13-20(18)29)16-5-8-22(39-27(30)31)25(9-16)37-14-15-3-4-15/h5-10,12-13,15,23,27H,3-4,11,14H2,1-2H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495724
PNG
(CHEMBL3113950)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C26H24Cl2F2N2O7S/c1-40(35,36)31-18-7-4-16(5-8-18)25(33)38-23(11-19-20(27)12-32(34)13-21(19)28)17-6-9-22(39-26(29)30)24(10-17)37-14-15-2-3-15/h4-10,12-13,15,23,26,31H,2-3,11,14H2,1H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50074893
PNG
(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC
Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3
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n/an/a 0.130n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of guinea pig lung Phosphodiesterase 4


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495702
PNG
(CHEMBL3113977)
Show SMILES COc1cc(NS(C)(=O)=O)cc(c1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C27H26Cl2F2N2O8S/c1-38-19-8-17(7-18(10-19)32-42(2,36)37)26(34)40-24(11-20-21(28)12-33(35)13-22(20)29)16-5-6-23(41-27(30)31)25(9-16)39-14-15-3-4-15/h5-10,12-13,15,24,27,32H,3-4,11,14H2,1-2H3/t24-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 activity in human PBMC assessed as inhibition of LPS-induced TNFalpha release after 18 hrs by ELISA


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495708
PNG
(CHEMBL3113975)
Show SMILES CS(=O)(=O)Nc1cc(ccc1OCC1CC1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C30H30Cl2F2N2O8S/c1-45(39,40)35-24-10-20(7-8-25(24)41-15-17-2-3-17)29(37)43-27(12-21-22(31)13-36(38)14-23(21)32)19-6-9-26(44-30(33)34)28(11-19)42-16-18-4-5-18/h6-11,13-14,17-18,27,30,35H,2-5,12,15-16H2,1H3/t27-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495737
PNG
(CHEMBL3113942)
Show SMILES COc1ccc(cc1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 |r|
Show InChI InChI=1S/C26H23Cl2F2NO6/c1-34-18-7-4-16(5-8-18)25(32)36-23(11-19-20(27)12-31(33)13-21(19)28)17-6-9-22(37-26(29)30)24(10-17)35-14-15-2-3-15/h4-10,12-13,15,23,26H,2-3,11,14H2,1H3/t23-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495711
PNG
(CHEMBL3113961)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(NS(=O)(=O)C3CC3)c(OCC3CC3)c2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r|
Show InChI InChI=1S/C32H32Cl2F2N2O8S/c33-24-14-38(40)15-25(34)23(24)13-28(20-6-10-27(46-32(35)36)30(11-20)44-17-19-3-4-19)45-31(39)21-5-9-26(37-47(41,42)22-7-8-22)29(12-21)43-16-18-1-2-18/h5-6,9-12,14-15,18-19,22,28,32,37H,1-4,7-8,13,16-17H2/t28-/m0/s1
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Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50495728
PNG
(CHEMBL3113938)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(Cl)cc2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1 |r|
Show InChI InChI=1S/C25H20Cl3F2NO5/c26-17-6-3-15(4-7-17)24(32)35-22(10-18-19(27)11-31(33)12-20(18)28)16-5-8-21(36-25(29)30)23(9-16)34-13-14-1-2-14/h3-9,11-12,14,22,25H,1-2,10,13H2/t22-/m0/s1
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n/an/a 0.160n/an/an/an/an/an/a



Chiesi Farmaceutici S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of PDE4 isolated from human U937 cells assessed as reduction in cAMP level by LANCE assay


J Med Chem 57: 793-816 (2014)


Article DOI: 10.1021/jm401549m
BindingDB Entry DOI: 10.7270/Q2RF5Z0D
More data for this
Ligand-Target Pair
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