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Compile Data Set for Download or QSAR

Found 1193 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase Type 4 (PDE4B)'   
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 4B


(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 4B


(Homo sapiens (Human))
BDBM14360
PNG
((-)-1 | (R)-(-)-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-/m1/s1
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n/an/a 40n/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 4B


(Homo sapiens (Human))
BDBM31651
PNG
(tetrahydrobenzothiophene (THBT), 18)
Show SMILES Cc1cccc(C)c1C(=O)C1CCCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c12
Show InChI InChI=1S/C25H23N3O5S/c1-13-7-5-8-14(2)19(13)22(29)16-10-6-12-18-20(16)21(23(26)30)25(34-18)27-24(31)15-9-3-4-11-17(15)28(32)33/h3-5,7-9,11,16H,6,10,12H2,1-2H3,(H2,26,30)(H,27,31)
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n/an/a 5.01E+3n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31650
PNG
(tetrahydrobenzothiophene (THBT), 25)
Show SMILES NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CC(CCc12)c1ccccc1
Show InChI InChI=1S/C22H19N3O4S/c23-20(26)19-16-11-10-14(13-6-2-1-3-7-13)12-18(16)30-22(19)24-21(27)15-8-4-5-9-17(15)25(28)29/h1-9,14H,10-12H2,(H2,23,26)(H,24,27)
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n/an/a 398n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14778
PNG
(3,5-dimethyl-1H-pyrazole-4-carboxylic acid | Pyraz...)
Show SMILES Cc1n[nH]c(C)c1C(O)=O
Show InChI InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14779
PNG
(Pyrazole carboxylic ester 2 | ethyl 3,5-dimethyl-1...)
Show SMILES CCOC(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
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n/an/a 6.00E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14780
PNG
(Pyrazole carboxylic ester 3 | ethyl 3-methyl-1H-py...)
Show SMILES CCOC(=O)c1cn[nH]c1C
Show InChI InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9-5(6)2/h4H,3H2,1-2H3,(H,8,9)
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14781
PNG
(Pyrazole carboxylic ester 4 | ethyl 3-amino-1H-pyr...)
Show SMILES CCOC(=O)c1cn[nH]c1N
Show InChI InChI=1S/C6H9N3O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H3,7,8,9)
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14782
PNG
(5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ...)
Show SMILES CCOC(=O)c1cn[nH]c1C(F)(F)F
Show InChI InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12)
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14783
PNG
(Pyrazole carboxylic ester 6 | methyl 3-methyl-5-(5...)
Show SMILES COC(=O)c1c(C)[nH]nc1-c1cc(C)on1
Show InChI InChI=1S/C10H11N3O3/c1-5-4-7(13-16-5)9-8(10(14)15-3)6(2)11-12-9/h4H,1-3H3,(H,11,12)
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14784
PNG
(Pyrazole carboxylic ester 7 | cid_707658 | ethyl 3...)
Show SMILES CCOC(=O)c1c(N)[nH]nc1-c1ccc(OC)cc1
Show InChI InChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
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n/an/a 1.50E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14785
PNG
(Pyrazole carboxylic ester 8 | ethyl 3,5-dimethyl-1...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccccc1
Show InChI InChI=1S/C14H16N2O2/c1-4-18-14(17)13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
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n/an/a 310n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14786
PNG
(Pyrazole carboxylic ester 9 | ethyl 3-(4-chlorophe...)
Show SMILES CCOC(=O)c1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)20-17(16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3
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n/an/a 1.50E+3n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14787
PNG
(Pyrazole carboxylic ester 10 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc2cccnc12
Show InChI InChI=1S/C17H17N3O2/c1-4-22-17(21)15-11(2)19-20(12(15)3)14-9-5-7-13-8-6-10-18-16(13)14/h5-10H,4H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14788
PNG
(Pyrazole carboxylic ester 11 | ethyl 5-amino-1-{8-...)
Show SMILES CCOC(=O)c1cnn(c1N)-c1ncnc2sc3CCCCc3c12
Show InChI InChI=1S/C16H17N5O2S/c1-2-23-16(22)10-7-20-21(13(10)17)14-12-9-5-3-4-6-11(9)24-15(12)19-8-18-14/h7-8H,2-6,17H2,1H3
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n/an/a 2.50E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14789
PNG
(Pyrazole carboxylic ester 12 | ethyl 1-[3,5-bis(tr...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H14F6N2O2/c1-4-26-14(25)13-8(2)23-24(9(13)3)12-6-10(15(17,18)19)5-11(7-12)16(20,21)22/h5-7H,4H2,1-3H3
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n/an/a 1.60E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14790
PNG
(Pyrazole carboxylic ester 13 | ethyl 1-(2,4-dinitr...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C14H14N4O6/c1-4-24-14(19)13-8(2)15-16(9(13)3)11-6-5-10(17(20)21)7-12(11)18(22)23/h5-7H,4H2,1-3H3
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14791
PNG
(Pyrazole carboxylic ester 14 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H15F3N2O3/c1-4-22-14(21)13-9(2)19-20(10(13)3)11-5-7-12(8-6-11)23-15(16,17)18/h5-8H,4H2,1-3H3
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n/an/a 3.20E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14792
PNG
(Pyrazole carboxylic ester 15 | ethyl 1-(4-tert-but...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C18H24N2O2/c1-7-22-17(21)16-12(2)19-20(13(16)3)15-10-8-14(9-11-15)18(4,5)6/h8-11H,7H2,1-6H3
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Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14793
PNG
(Pyrazole carboxylic ester 16 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H17N3O4S/c1-4-21-14(18)13-9(2)16-17(10(13)3)11-5-7-12(8-6-11)22(15,19)20/h5-8H,4H2,1-3H3,(H2,15,19,20)
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n/an/a 1.30E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14794
PNG
(Pyrazole carboxylic ester 17 | ethyl 1-(4-methoxyp...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H18N2O3/c1-5-20-15(18)14-10(2)16-17(11(14)3)12-6-8-13(19-4)9-7-12/h6-9H,5H2,1-4H3
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n/an/a 5.90E+3n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14795
PNG
(Pyrazole carboxylic ester 18 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-5-7-12(8-6-11)17(19)20/h5-8H,4H2,1-3H3
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n/an/a 840n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14796
PNG
(Pyrazole carboxylic ester 19 | ethyl 1-(4-aminophe...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccc(N)cc1
Show InChI InChI=1S/C14H17N3O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-7-5-11(15)6-8-12/h5-8H,4,15H2,1-3H3
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n/an/a 350n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14797
PNG
(Pyrazole carboxylic ester 20 | ethyl 1-(2-chloroph...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1ccccc1Cl
Show InChI InChI=1S/C14H15ClN2O2/c1-4-19-14(18)13-9(2)16-17(10(13)3)12-8-6-5-7-11(12)15/h5-8H,4H2,1-3H3
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n/an/a 56n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4B)


(Homo sapiens (human))
BDBM14798
PNG
(Pyrazole carboxylic ester 21 | ethyl 3,5-dimethyl-...)
Show SMILES CCOC(=O)c1c(C)nn(c1C)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
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n/an/a 33n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)


Article DOI: 10.1038/nbt1059
BindingDB Entry DOI: 10.7270/Q21N7ZCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31636
PNG
(tetrahydrobenzothiophene (THBT), 4)
Show SMILES CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccncc1)c2C(N)=O
Show InChI InChI=1S/C19H23N3O2S/c1-19(2,3)12-4-5-13-14(10-12)25-18(15(13)16(20)23)22-17(24)11-6-8-21-9-7-11/h6-9,12H,4-5,10H2,1-3H3,(H2,20,23)(H,22,24)
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n/an/a 200n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31637
PNG
(tetrahydrobenzothiophene (THBT), 6)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C17H17N3O4S/c1-9-6-7-11-13(8-9)25-17(14(11)15(18)21)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)
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n/an/a 50n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31638
PNG
(tetrahydrobenzothiophene (THBT), 13a)
Show SMILES CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1c(F)cccc1F)c2C(N)=O
Show InChI InChI=1S/C20H22F2N2O2S/c1-20(2,3)10-7-8-11-14(9-10)27-19(15(11)17(23)25)24-18(26)16-12(21)5-4-6-13(16)22/h4-6,10H,7-9H2,1-3H3,(H2,23,25)(H,24,26)
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n/an/a 79n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31639
PNG
(tetrahydrobenzothiophene (THBT), 13b)
Show SMILES CNC(=O)c1c(NC(=O)c2c(F)cccc2F)sc2CC(CCc12)C(C)(C)C
Show InChI InChI=1S/C21H24F2N2O2S/c1-21(2,3)11-8-9-12-15(10-11)28-20(16(12)18(26)24-4)25-19(27)17-13(22)6-5-7-14(17)23/h5-7,11H,8-10H2,1-4H3,(H,24,26)(H,25,27)
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n/an/a>1.00E+4n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31640
PNG
(tetrahydrobenzothiophene (THBT), 14)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1cccc(c1)[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C17H17N3O4S/c1-9-5-6-12-13(7-9)25-17(14(12)15(18)21)19-16(22)10-3-2-4-11(8-10)20(23)24/h2-4,8-9H,5-7H2,1H3,(H2,18,21)(H,19,22)
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n/an/a 631n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31641
PNG
(tetrahydrobenzothiophene (THBT), 15)
Show SMILES CC1CCc2c(C1)sc(NC(=O)c1ccc(cc1)[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C17H17N3O4S/c1-9-2-7-12-13(8-9)25-17(14(12)15(18)21)19-16(22)10-3-5-11(6-4-10)20(23)24/h3-6,9H,2,7-8H2,1H3,(H2,18,21)(H,19,22)
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n/an/a>2.51E+3n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31642
PNG
(tetrahydrobenzothiophene (THBT), 16)
Show SMILES NC(=O)c1c(NC(=O)c2ccccc2[N+]([O-])=O)sc2CCCCc12
Show InChI InChI=1S/C16H15N3O4S/c17-14(20)13-10-6-2-4-8-12(10)24-16(13)18-15(21)9-5-1-3-7-11(9)19(22)23/h1,3,5,7H,2,4,6,8H2,(H2,17,20)(H,18,21)
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n/an/a 1.26E+3n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31643
PNG
(tetrahydrobenzothiophene (THBT), 17)
Show SMILES CC1CCCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c12
Show InChI InChI=1S/C17H17N3O4S/c1-9-5-4-8-12-13(9)14(15(18)21)17(25-12)19-16(22)10-6-2-3-7-11(10)20(23)24/h2-3,6-7,9H,4-5,8H2,1H3,(H2,18,21)(H,19,22)
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n/an/a 5.01E+3n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31644
PNG
(tetrahydrobenzothiophene (THBT), 23)
Show SMILES CC1(C)CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C18H19N3O4S/c1-18(2)8-7-11-13(9-18)26-17(14(11)15(19)22)20-16(23)10-5-3-4-6-12(10)21(24)25/h3-6H,7-9H2,1-2H3,(H2,19,22)(H,20,23)
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n/an/a 50n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31645
PNG
(tetrahydrobenzothiophene (THBT), 19)
Show SMILES CC1CCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c2C1
Show InChI InChI=1S/C17H17N3O4S/c1-9-6-7-13-11(8-9)14(15(18)21)17(25-13)19-16(22)10-4-2-3-5-12(10)20(23)24/h2-5,9H,6-8H2,1H3,(H2,18,21)(H,19,22)
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n/an/a 2.00E+3n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31646
PNG
(tetrahydrobenzothiophene (THBT), 20)
Show SMILES CC(C)(C)C1CCc2sc(NC(=O)c3ccccc3[N+]([O-])=O)c(C(N)=O)c2C1
Show InChI InChI=1S/C20H23N3O4S/c1-20(2,3)11-8-9-15-13(10-11)16(17(21)24)19(28-15)22-18(25)12-6-4-5-7-14(12)23(26)27/h4-7,11H,8-10H2,1-3H3,(H2,21,24)(H,22,25)
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n/an/a 1.26E+3n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31647
PNG
(tetrahydrobenzothiophene (THBT), 21)
Show SMILES CCC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C18H19N3O4S/c1-2-10-7-8-12-14(9-10)26-18(15(12)16(19)22)20-17(23)11-5-3-4-6-13(11)21(24)25/h3-6,10H,2,7-9H2,1H3,(H2,19,22)(H,20,23)
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n/an/a 10n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31648
PNG
(tetrahydrobenzothiophene (THBT), 22)
Show SMILES CC(C)(C)C1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C20H23N3O4S/c1-20(2,3)11-8-9-13-15(10-11)28-19(16(13)17(21)24)22-18(25)12-6-4-5-7-14(12)23(26)27/h4-7,11H,8-10H2,1-3H3,(H2,21,24)(H,22,25)
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n/an/a 25n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM31649
PNG
(tetrahydrobenzothiophene (THBT), 24)
Show SMILES CCCC1CCc2c(C1)sc(NC(=O)c1ccccc1[N+]([O-])=O)c2C(N)=O
Show InChI InChI=1S/C19H21N3O4S/c1-2-5-11-8-9-13-15(10-11)27-19(16(13)17(20)23)21-18(24)12-6-3-4-7-14(12)22(25)26/h3-4,6-7,11H,2,5,8-10H2,1H3,(H2,20,23)(H,21,24)
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n/an/a 100n/an/an/an/a7.523



GSK



Assay Description
Inhibition of PDE4 is measured using a luminescence-coupled assay system developed by Cambrex. This assay system couples the formation of AMP, derive...


Bioorg Med Chem 17: 5336-41 (2009)


Article DOI: 10.1016/j.bmc.2009.03.061
BindingDB Entry DOI: 10.7270/Q21G0JMF
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM30128
PNG
(phthalazinone, 21)
Show SMILES COc1ccc(F)c(CCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C36H48FN3O5/c1-42-29-16-17-32(37)25(23-29)11-13-27-14-15-28(45-27)19-21-38-20-7-4-8-22-40-36(41)31-10-6-5-9-30(31)35(39-40)26-12-18-33(43-2)34(24-26)44-3/h5-6,12,16-18,23-24,27-28,30-31,38H,4,7-11,13-15,19-22H2,1-3H3
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199 -39.4n/an/an/an/an/a8.034



Human BioMolecular Research Institute



Assay Description
The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM30126
PNG
(CHEMBL313041 | phthalazinone, 19)
Show SMILES COc1ccc(cc1OC)C1=NNC(=O)C2CC=CCC12
Show InChI InChI=1S/C16H18N2O3/c1-20-13-8-7-10(9-14(13)21-2)15-11-5-3-4-6-12(11)16(19)18-17-15/h3-4,7-9,11-12H,5-6H2,1-2H3,(H,18,19)
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250 -38.8n/an/an/an/an/a8.034



Human BioMolecular Research Institute



Assay Description
The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM30129
PNG
(phthalazinone, 22)
Show SMILES COc1ccc(F)c(CCCC2CCC(CCNCCCCCN3N=C(C4CC=CCC4C3=O)c3ccc(OC)c(OC)c3)O2)c1
Show InChI InChI=1S/C37H50FN3O5/c1-43-30-17-18-33(38)26(24-30)10-9-11-28-15-16-29(46-28)20-22-39-21-7-4-8-23-41-37(42)32-13-6-5-12-31(32)36(40-41)27-14-19-34(44-2)35(25-27)45-3/h5-6,14,17-19,24-25,28-29,31-32,39H,4,7-13,15-16,20-23H2,1-3H3
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500 -37.0n/an/an/an/an/a8.034



Human BioMolecular Research Institute



Assay Description
The samples were assayed in a solution composed of PDE4, [3H]cAMP/cAMP, and test compounds. To convert AMP to adenosine, snake venom was added to eac...


J Med Chem 52: 1530-9 (2009)


Article DOI: 10.1021/jm8010993
BindingDB Entry DOI: 10.7270/Q2MK6B7M
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14381
PNG
(4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...)
Show SMILES COC(=O)c1ccc(COC(C)(C)c2nc3c(N)ncn(Cc4ccc(OC)c(OC5CCCC5)c4)c3n2)cc1
Show InChI InChI=1S/C30H35N5O5/c1-30(2,39-17-19-9-12-21(13-10-19)28(36)38-4)29-33-25-26(31)32-18-35(27(25)34-29)16-20-11-14-23(37-3)24(15-20)40-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,31H2,1-4H3
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5.20n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50314557
PNG
((4-(3-(4-(3-nitrophenyl)pyridazino[4,5-b]indolizin...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nnc(NCCCN2CCN(CC2)C(=O)c2cnccn2)c2cc3ccccn3c12
Show InChI InChI=1S/C28H27N9O3/c38-28(24-19-29-9-10-30-24)35-15-13-34(14-16-35)11-4-8-31-27-23-18-21-6-1-2-12-36(21)26(23)25(32-33-27)20-5-3-7-22(17-20)37(39)40/h1-3,5-7,9-10,12,17-19H,4,8,11,13-16H2,(H,31,33)
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5.60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [methyl-3H]rolipram from PDE4B3 expressed in CHO cells after 1 hr by scintillation counting


Bioorg Med Chem Lett 20: 2163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.044
BindingDB Entry DOI: 10.7270/Q2NK3F54
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14379
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-tert...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(C)(C)C)cc1OC1CCCC1
Show InChI InChI=1S/C32H41N5O3/c1-31(2,3)23-14-11-21(12-15-23)19-39-32(4,5)30-35-27-28(33)34-20-37(29(27)36-30)18-22-13-16-25(38-6)26(17-22)40-24-9-7-8-10-24/h11-17,20,24H,7-10,18-19,33H2,1-6H3
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5.80n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14382
PNG
(4-{2-[6-Amino-3-(3-cyclopentyloxy-4-methoxy-benzyl...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(cc2)C(N)=O)cc1OC1CCCC1
Show InChI InChI=1S/C29H34N6O4/c1-29(2,38-16-18-8-11-20(12-9-18)26(31)36)28-33-24-25(30)32-17-35(27(24)34-28)15-19-10-13-22(37-3)23(14-19)39-21-6-4-5-7-21/h8-14,17,21H,4-7,15-16,30H2,1-3H3,(H2,31,36)
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7.60n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14365
PNG
(8-(1-Benzyloxy-1-methyl-ethyl)-3-(3-cyclopentyloxy...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccccc2)cc1OC1CCCC1
Show InChI InChI=1S/C28H33N5O3/c1-28(2,35-17-19-9-5-4-6-10-19)27-31-24-25(29)30-18-33(26(24)32-27)16-20-13-14-22(34-3)23(15-20)36-21-11-7-8-12-21/h4-6,9-10,13-15,18,21H,7-8,11-12,16-17,29H2,1-3H3
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8.90n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14386
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimet...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)COc2ccsc2)cc1OC1CCCC1
Show InChI InChI=1S/C26H31N5O3S/c1-26(2,15-33-19-10-11-35-14-19)25-29-22-23(27)28-16-31(24(22)30-25)13-17-8-9-20(32-3)21(12-17)34-18-6-4-5-7-18/h8-12,14,16,18H,4-7,13,15,27H2,1-3H3
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9.5n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14378
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(3,4-di...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(Cl)c(Cl)c2)cc1OC1CCCC1
Show InChI InChI=1S/C28H31Cl2N5O3/c1-28(2,37-15-18-8-10-20(29)21(30)12-18)27-33-24-25(31)32-16-35(26(24)34-27)14-17-9-11-22(36-3)23(13-17)38-19-6-4-5-7-19/h8-13,16,19H,4-7,14-15,31H2,1-3H3
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9.70n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM14369
PNG
(3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1-(4-meth...)
Show SMILES COc1ccc(Cn2cnc(N)c3nc(nc23)C(C)(C)OCc2ccc(C)cc2)cc1OC1CCCC1
Show InChI InChI=1S/C29H35N5O3/c1-19-9-11-20(12-10-19)17-36-29(2,3)28-32-25-26(30)31-18-34(27(25)33-28)16-21-13-14-23(35-4)24(15-21)37-22-7-5-6-8-22/h9-15,18,22H,5-8,16-17,30H2,1-4H3
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9.80n/an/an/an/an/an/an/an/a



Purdue Pharma LP



Assay Description
PDE4 enzyme activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using SPA kit. [3H]-AMP was captured by the SPA beads, and qu...


J Med Chem 48: 1237-43 (2005)


Article DOI: 10.1021/jm030603w
BindingDB Entry DOI: 10.7270/Q2GT5KF0
More data for this
Ligand-Target Pair
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