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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50012986   
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))
BDBM50125066
PNG
(CHEMBL165889 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES C[C@@H](N(C)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1
Show InChI InChI=1S/C29H27F4N3O3/c1-19(21-6-4-3-5-7-21)35(2)27-11-9-23(18-34-27)24(16-20-12-14-36(37)15-13-20)22-8-10-25(38-28(30)31)26(17-22)39-29(32)33/h3-15,17-19,24,28-29H,16H2,1-2H3/t19-,24?/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125065
PNG
(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
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n/an/a 0.600n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50125057
PNG
(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)
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125062
PNG
(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
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n/an/a 0.800n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125063
PNG
(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)
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n/an/a 1.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125064
PNG
(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
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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))
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 1.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125074
PNG
(CHEMBL444865 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES CN(Cc1ccc2ccccc2c1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C32H27F4N3O3/c1-38(20-22-6-7-23-4-2-3-5-24(23)16-22)30-11-9-26(19-37-30)27(17-21-12-14-39(40)15-13-21)25-8-10-28(41-31(33)34)29(18-25)42-32(35)36/h2-16,18-19,27,31-32H,17,20H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125057
PNG
(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)
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n/an/a 1.60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125072
PNG
(CHEMBL166299 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES C[C@@H](Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)c1ccccc1
Show InChI InChI=1S/C28H25F4N3O3/c1-18(20-5-3-2-4-6-20)34-26-10-8-22(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/h2-14,16-18,23,27-28H,15H2,1H3,(H,33,34)/t18-,23?/m1/s1
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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))
BDBM50125073
PNG
(CHEMBL164199 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES Cc1ccc(CCNc2ccc(cn2)C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C29H27F4N3O3/c1-19-2-4-20(5-3-19)10-13-34-27-9-7-23(18-35-27)24(16-21-11-14-36(37)15-12-21)22-6-8-25(38-28(30)31)26(17-22)39-29(32)33/h2-9,11-12,14-15,17-18,24,28-29H,10,13,16H2,1H3,(H,34,35)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125076
PNG
(Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1...)
Show SMILES CCN(Cc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C29H27F4N3O3/c1-2-35(19-21-6-4-3-5-7-21)27-11-9-23(18-34-27)24(16-20-12-14-36(37)15-13-20)22-8-10-25(38-28(30)31)26(17-22)39-29(32)33/h3-15,17-18,24,28-29H,2,16,19H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
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
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))
BDBM50125067
PNG
(CHEMBL351007 | {5-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES CN(CCc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C29H27F4N3O3/c1-35(14-11-20-5-3-2-4-6-20)27-10-8-23(19-34-27)24(17-21-12-15-36(37)16-13-21)22-7-9-25(38-28(30)31)26(18-22)39-29(32)33/h2-10,12-13,15-16,18-19,24,28-29H,11,14,17H2,1H3
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n/an/a 5.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125070
PNG
(CHEMBL423252 | N-{5-[1-(3,4-Bis-difluoromethoxy-ph...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(NC(=O)Cc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C28H23F4N3O4/c29-27(30)38-23-8-6-20(16-24(23)39-28(31)32)22(14-19-10-12-35(37)13-11-19)21-7-9-25(33-17-21)34-26(36)15-18-4-2-1-3-5-18/h1-13,16-17,22,27-28H,14-15H2,(H,33,34,36)
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n/an/a 7.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125060
PNG
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CCNC(=O)Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H22F4N4O4/c1-2-28-23(32)30-20-6-4-16(13-29-20)17(11-14-7-9-31(33)10-8-14)15-3-5-18(34-21(24)25)19(12-15)35-22(26)27/h3-10,12-13,17,21-22H,2,11H2,1H3,(H2,28,29,30,32)
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n/an/a 8.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125068
PNG
(Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1...)
Show SMILES CC(C)N(Cc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C30H29F4N3O3/c1-20(2)37(19-22-6-4-3-5-7-22)28-11-9-24(18-35-28)25(16-21-12-14-36(38)15-13-21)23-8-10-26(39-29(31)32)27(17-23)40-30(33)34/h3-15,17-18,20,25,29-30H,16,19H2,1-2H3
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n/an/a 9.30n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125059
PNG
(CHEMBL163311 | {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
Show InChI InChI=1S/C23H23F4N3O3/c1-14(2)29-21-6-4-17(13-28-21)18(11-15-7-9-30(31)10-8-15)16-3-5-19(32-22(24)25)20(12-16)33-23(26)27/h3-10,12-14,18,22-23H,11H2,1-2H3,(H,28,29)
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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))
BDBM50125058
PNG
(CHEMBL162870 | N-{5-[1-(3,4-Bis-difluoromethoxy-ph...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(NS(=O)(=O)c3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C26H21F4N3O5S/c27-25(28)37-22-8-6-18(15-23(22)38-26(29)30)21(14-17-10-12-33(34)13-11-17)19-7-9-24(31-16-19)32-39(35,36)20-4-2-1-3-5-20/h1-13,15-16,21,25-26H,14H2,(H,31,32)
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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))
BDBM50125071
PNG
(Benzyl-{5-[1-(3,4-bis-difluoromethoxy-phenyl)-2-(1...)
Show SMILES CC(C)(C)N(Cc1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C31H31F4N3O3/c1-31(2,3)38(20-22-7-5-4-6-8-22)28-12-10-24(19-36-28)25(17-21-13-15-37(39)16-14-21)23-9-11-26(40-29(32)33)27(18-23)41-30(34)35/h4-16,18-19,25,29-30H,17,20H2,1-3H3
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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
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50125057
PNG
(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)
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n/an/a 23n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL




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))
BDBM50125075
PNG
(4-[2-[3,4-di(difluoromethoxy)phenyl]-2-(6-tetrahyd...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(nc2)N2CCCC2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C24H23F4N3O3/c25-23(26)33-20-5-3-17(14-21(20)34-24(27)28)19(13-16-7-11-31(32)12-8-16)18-4-6-22(29-15-18)30-9-1-2-10-30/h3-8,11-12,14-15,19,23-24H,1-2,9-10,13H2
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n/an/a 31n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125069
PNG
(5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C20H17F4N3O3/c21-19(22)29-16-3-1-13(10-17(16)30-20(23)24)15(14-2-4-18(25)26-11-14)9-12-5-7-27(28)8-6-12/h1-8,10-11,15,19-20H,9H2,(H2,25,26)
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n/an/a 31n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50125061
PNG
(CHEMBL165773 | N-{5-[1-(3,4-Bis-difluoromethoxy-ph...)
Show SMILES CC(=O)Nc1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C22H19F4N3O4/c1-13(30)28-20-5-3-16(12-27-20)17(10-14-6-8-29(31)9-7-14)15-2-4-18(32-21(23)24)19(11-15)33-22(25)26/h2-9,11-12,17,21-22H,10H2,1H3,(H,27,28,30)
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n/an/a 33n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against human PDE4A expressed isoform using construct representing the common region of spliced variants as GST-fusion protein in...


Bioorg Med Chem Lett 13: 741-4 (2003)


BindingDB Entry DOI: 10.7270/Q2PG1R3G
More data for this
Ligand-Target Pair