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PubMed code 12270195

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50119360
PNG
(1-(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(2,2...)
Show SMILES CC(=O)c1c[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/C26H19F10NO5/c1-13(38)19-12-37(40)9-8-16(19)10-18(15-4-7-20(41-22(27)28)21(11-15)42-23(29)30)14-2-5-17(6-3-14)24(39,25(31,32)33)26(34,35)36/h2-9,11-12,18,22-23,39H,10H2,1H3
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n/an/a 2.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113425
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC(c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H17F10NO4/c25-20(26)38-18-6-3-15(12-19(18)39-21(27)28)17(11-13-7-9-35(37)10-8-13)14-1-4-16(5-2-14)22(36,23(29,30)31)24(32,33)34/h1-10,12,17,20-21,36H,11H2
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n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119355
PNG
(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
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n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119355
PNG
(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
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n/an/a 4.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119361
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES Cc1cc(ccc1C(O)(C(F)(F)F)C(F)(F)F)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H19F10NO4/c1-13-10-15(2-4-18(13)23(37,24(30,31)32)25(33,34)35)17(11-14-6-8-36(38)9-7-14)16-3-5-19(39-21(26)27)20(12-16)40-22(28)29/h2-10,12,17,21-22,37H,11H2,1H3
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n/an/a 4.40n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119363
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(2-meth...)
Show SMILES Cc1cc(CC(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)c2ccc(OC(F)F)c(OC(F)F)c2)cc[n+]1[O-]
Show InChI InChI=1S/C25H19F10NO4/c1-13-10-14(8-9-36(13)38)11-18(16-4-7-19(39-21(26)27)20(12-16)40-22(28)29)15-2-5-17(6-3-15)23(37,24(30,31)32)25(33,34)35/h2-10,12,18,21-22,37H,11H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119358
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3-ethy...)
Show SMILES CCc1c[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/C26H21F10NO4/c1-2-14-13-37(39)10-9-16(14)11-19(17-5-8-20(40-22(27)28)21(12-17)41-23(29)30)15-3-6-18(7-4-15)24(38,25(31,32)33)26(34,35)36/h3-10,12-13,19,22-23,38H,2,11H2,1H3
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n/an/a 27n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119362
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES Cc1cc(ccc1C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H19F10NO4/c1-13-10-16(23(37,24(30,31)32)25(33,34)35)3-4-17(13)18(11-14-6-8-36(38)9-7-14)15-2-5-19(39-21(26)27)20(12-15)40-22(28)29/h2-10,12,18,21-22,37H,11H2,1H3
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n/an/a 32n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119357
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3-hydr...)
Show SMILES OCc1c[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/C25H19F10NO5/c26-21(27)40-19-6-3-15(10-20(19)41-22(28)29)18(9-14-7-8-36(39)11-16(14)12-37)13-1-4-17(5-2-13)23(38,24(30,31)32)25(33,34)35/h1-8,10-11,18,21-22,37-38H,9,12H2
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n/an/a 38n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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n/an/a 38n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119354
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(C(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H19F10NO4/c1-13(14-8-10-36(38)11-9-14)20(16-4-7-18(39-21(26)27)19(12-16)40-22(28)29)15-2-5-17(6-3-15)23(37,24(30,31)32)25(33,34)35/h2-13,20-22,37H,1H3
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n/an/a 39n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119354
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(C(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(OC(F)F)c(OC(F)F)c1)c1cc[n+]([O-])cc1
Show InChI InChI=1S/C25H19F10NO4/c1-13(14-8-10-36(38)11-9-14)20(16-4-7-18(39-21(26)27)19(12-16)40-22(28)29)15-2-5-17(6-3-15)23(37,24(30,31)32)25(33,34)35/h2-13,20-22,37H,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119356
PNG
(2-(4-{1-(3,4-Bis-difluoromethoxy-phenyl)-2-[3-(1-h...)
Show SMILES CC(O)c1c[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/C26H21F10NO5/c1-13(38)19-12-37(40)9-8-16(19)10-18(15-4-7-20(41-22(27)28)21(11-15)42-23(29)30)14-2-5-17(6-3-14)24(39,25(31,32)33)26(34,35)36/h2-9,11-13,18,22-23,38-39H,10H2,1H3
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n/an/a 42n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50119359
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(3,5-di...)
Show SMILES Cc1c[n+]([O-])cc(C)c1CC(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/C26H21F10NO4/c1-13-11-37(39)12-14(2)18(13)10-19(16-5-8-20(40-22(27)28)21(9-16)41-23(29)30)15-3-6-17(7-4-15)24(38,25(31,32)33)26(34,35)36/h3-9,11-12,19,22-23,38H,10H2,1-2H3
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n/an/a 57n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4A isoform using construct representing the common region of spliced variants expressed as GST-fusion proteins ...

Bioorg Med Chem Lett 12: 3009-13 (2002)


BindingDB Entry DOI: 10.7270/Q2V125B1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%