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PubMed code 20709547

Compile data set for download or QSAR
Found 69 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 4D


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325790
PNG
(CHEMBL1224717 | methyl 2-(4-((8-(3-methoxyphenyl)q...)
Show SMILES COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C26H23NO4/c1-29-23-7-3-5-20(16-23)24-14-19(13-21-6-4-12-27-26(21)24)17-31-22-10-8-18(9-11-22)15-25(28)30-2/h3-14,16H,15,17H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325787
PNG
(8-(3-(difluoromethoxy)phenyl)-6-((4-(methylsulfony...)
Show SMILES CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325800
PNG
(3-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES FC(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H20F2N2O2/c27-26(28)32-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-30-25(21)24)17-31-22-10-8-18(9-11-22)4-2-12-29/h1,3,5-11,13-16,26H,2,4,17H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174017
PNG
(8-(3-(2-(3-methylcyclopenta-1,3-dienyl)-2-(4-(meth...)
Show SMILES COc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C22H18N2O/c1-25-20-6-2-4-18(15-20)21-14-17(12-16-7-10-23-11-8-16)13-19-5-3-9-24-22(19)21/h2-11,13-15H,12H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325794
PNG
(3-(4-((8-(3-methoxyphenyl)quinolin-6-yl)methoxy)ph...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O2/c1-29-24-8-2-6-21(17-24)25-16-20(15-22-7-4-14-28-26(22)25)18-30-23-11-9-19(10-12-23)5-3-13-27/h2,4,6-12,14-17H,3,5,18H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174017
PNG
(8-(3-(2-(3-methylcyclopenta-1,3-dienyl)-2-(4-(meth...)
Show SMILES COc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C22H18N2O/c1-25-20-6-2-4-18(15-20)21-14-17(12-16-7-10-23-11-8-16)13-19-5-3-9-24-22(19)21/h2-11,13-15H,12H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174017
PNG
(8-(3-(2-(3-methylcyclopenta-1,3-dienyl)-2-(4-(meth...)
Show SMILES COc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C22H18N2O/c1-25-20-6-2-4-18(15-20)21-14-17(12-16-7-10-23-11-8-16)13-19-5-3-9-24-22(19)21/h2-11,13-15H,12H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50174017
PNG
(8-(3-(2-(3-methylcyclopenta-1,3-dienyl)-2-(4-(meth...)
Show SMILES COc1cccc(c1)-c1cc(Cc2ccncc2)cc2cccnc12
Show InChI InChI=1S/C22H18N2O/c1-25-20-6-2-4-18(15-20)21-14-17(12-16-7-10-23-11-8-16)13-19-5-3-9-24-22(19)21/h2-11,13-15H,12H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325798
PNG
(3-(4-((8-(3-ethoxyphenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES CCOc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C27H24N2O2/c1-2-30-25-9-3-7-22(18-25)26-17-21(16-23-8-5-15-29-27(23)26)19-31-24-12-10-20(11-13-24)6-4-14-28/h3,5,7-13,15-18H,2,4,6,19H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325790
PNG
(CHEMBL1224717 | methyl 2-(4-((8-(3-methoxyphenyl)q...)
Show SMILES COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C26H23NO4/c1-29-23-7-3-5-20(16-23)24-14-19(13-21-6-4-12-27-26(21)24)17-31-22-10-8-18(9-11-22)15-25(28)30-2/h3-14,16H,15,17H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325791
PNG
(6-((2-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccccc2Cl)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-19-8-4-6-17(14-19)20-13-16(12-18-7-5-11-25-23(18)20)15-27-22-10-3-2-9-21(22)24/h2-14H,15H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325790
PNG
(CHEMBL1224717 | methyl 2-(4-((8-(3-methoxyphenyl)q...)
Show SMILES COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C26H23NO4/c1-29-23-7-3-5-20(16-23)24-14-19(13-21-6-4-12-27-26(21)24)17-31-22-10-8-18(9-11-22)15-25(28)30-2/h3-14,16H,15,17H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50174022
PNG
((E)-8-(3-(2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H29N3O5S2/c1-20-33-30(39-34-20)28(22-11-13-26(14-12-22)40(4,35)36)17-21-8-6-9-23(16-21)27-19-25(31(2,3)41(5,37)38)18-24-10-7-15-32-29(24)27/h6-19H,1-5H3/b28-17+
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n/an/a 9.10n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325789
PNG
(8-(3-methoxyphenyl)-6-(2-(methylsulfonyl)propan-2-...)
Show SMILES COc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C20H21NO3S/c1-20(2,25(4,22)23)16-11-15-8-6-10-21-19(15)18(13-16)14-7-5-9-17(12-14)24-3/h5-13H,1-4H3
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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
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325789
PNG
(8-(3-methoxyphenyl)-6-(2-(methylsulfonyl)propan-2-...)
Show SMILES COc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C20H21NO3S/c1-20(2,25(4,22)23)16-11-15-8-6-10-21-19(15)18(13-16)14-7-5-9-17(12-14)24-3/h5-13H,1-4H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325789
PNG
(8-(3-methoxyphenyl)-6-(2-(methylsulfonyl)propan-2-...)
Show SMILES COc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C20H21NO3S/c1-20(2,25(4,22)23)16-11-15-8-6-10-21-19(15)18(13-16)14-7-5-9-17(12-14)24-3/h5-13H,1-4H3
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n/an/a 11n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325797
PNG
(3-(4-((8-(3-fluorophenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES Fc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C25H19FN2O/c26-22-7-1-5-20(16-22)24-15-19(14-21-6-3-13-28-25(21)24)17-29-23-10-8-18(9-11-23)4-2-12-27/h1,3,5-11,13-16H,2,4,17H2
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n/an/a 11n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325792
PNG
(6-((3-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2cccc(Cl)c2)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-20-8-2-5-17(13-20)22-12-16(11-18-6-4-10-25-23(18)22)15-27-21-9-3-7-19(24)14-21/h2-14H,15H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325787
PNG
(8-(3-(difluoromethoxy)phenyl)-6-((4-(methylsulfony...)
Show SMILES CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325787
PNG
(8-(3-(difluoromethoxy)phenyl)-6-((4-(methylsulfony...)
Show SMILES CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325796
PNG
(3-(4-((8-(3-(trifluoromethoxy)phenyl)quinolin-6-yl...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H19F3N2O2/c27-26(28,29)33-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-31-25(21)24)17-32-22-10-8-18(9-11-22)4-2-12-30/h1,3,5-11,13-16H,2,4,17H2
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n/an/a 17n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325799
PNG
(3-(4-((8-m-tolylquinolin-6-yl)methoxy)phenyl)propa...)
Show SMILES Cc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O/c1-19-5-2-7-22(15-19)25-17-21(16-23-8-4-14-28-26(23)25)18-29-24-11-9-20(10-12-24)6-3-13-27/h2,4-5,7-12,14-17H,3,6,18H2,1H3
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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 PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325795
PNG
(3-(4-((8-phenylquinolin-6-yl)methoxy)phenyl)propan...)
Show SMILES N#CCCc1ccc(OCc2cc(-c3ccccc3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H20N2O/c26-14-4-6-19-10-12-23(13-11-19)28-18-20-16-22-9-5-15-27-25(22)24(17-20)21-7-2-1-3-8-21/h1-3,5,7-13,15-17H,4,6,18H2
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n/an/a 22n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325790
PNG
(CHEMBL1224717 | methyl 2-(4-((8-(3-methoxyphenyl)q...)
Show SMILES COC(=O)Cc1ccc(OCc2cc(-c3cccc(OC)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C26H23NO4/c1-29-23-7-3-5-20(16-23)24-14-19(13-21-6-4-12-27-26(21)24)17-31-22-10-8-18(9-11-22)15-25(28)30-2/h3-14,16H,15,17H2,1-2H3
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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
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325788
PNG
(2-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES OC(=O)Cc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H19F2NO4/c26-25(27)32-21-5-1-3-18(14-21)22-12-17(11-19-4-2-10-28-24(19)22)15-31-20-8-6-16(7-9-20)13-23(29)30/h1-12,14,25H,13,15H2,(H,29,30)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325787
PNG
(8-(3-(difluoromethoxy)phenyl)-6-((4-(methylsulfony...)
Show SMILES CS(=O)(=O)c1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C24H19F2NO4S/c1-32(28,29)21-9-7-19(8-10-21)30-15-16-12-18-5-3-11-27-23(18)22(13-16)17-4-2-6-20(14-17)31-24(25)26/h2-14,24H,15H2,1H3
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n/an/a 36n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325798
PNG
(3-(4-((8-(3-ethoxyphenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES CCOc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C27H24N2O2/c1-2-30-25-9-3-7-22(18-25)26-17-21(16-23-8-5-15-29-27(23)26)19-31-24-12-10-20(11-13-24)6-4-14-28/h3,5,7-13,15-18H,2,4,6,19H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50325793
PNG
(8-(3-methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(cc2)C(F)(F)F)cc2cccnc12
Show InChI InChI=1S/C24H18F3NO2/c1-29-21-6-2-4-17(14-21)22-13-16(12-18-5-3-11-28-23(18)22)15-30-20-9-7-19(8-10-20)24(25,26)27/h2-14H,15H2,1H3
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n/an/a 49n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325800
PNG
(3-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES FC(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H20F2N2O2/c27-26(28)32-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-30-25(21)24)17-31-22-10-8-18(9-11-22)4-2-12-29/h1,3,5-11,13-16,26H,2,4,17H2
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n/an/a 58n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325800
PNG
(3-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES FC(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H20F2N2O2/c27-26(28)32-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-30-25(21)24)17-31-22-10-8-18(9-11-22)4-2-12-29/h1,3,5-11,13-16,26H,2,4,17H2
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n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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n/an/a 64n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325789
PNG
(8-(3-methoxyphenyl)-6-(2-(methylsulfonyl)propan-2-...)
Show SMILES COc1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C20H21NO3S/c1-20(2,25(4,22)23)16-11-15-8-6-10-21-19(15)18(13-16)14-7-5-9-17(12-14)24-3/h5-13H,1-4H3
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n/an/a 70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325791
PNG
(6-((2-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccccc2Cl)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-19-8-4-6-17(14-19)20-13-16(12-18-7-5-11-25-23(18)20)15-27-22-10-3-2-9-21(22)24/h2-14H,15H2,1H3
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n/an/a 87n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325794
PNG
(3-(4-((8-(3-methoxyphenyl)quinolin-6-yl)methoxy)ph...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O2/c1-29-24-8-2-6-21(17-24)25-16-20(15-22-7-4-14-28-26(22)25)18-30-23-11-9-19(10-12-23)5-3-13-27/h2,4,6-12,14-17H,3,5,18H2,1H3
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n/an/a 87n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325797
PNG
(3-(4-((8-(3-fluorophenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES Fc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C25H19FN2O/c26-22-7-1-5-20(16-22)24-15-19(14-21-6-3-13-28-25(21)24)17-29-23-10-8-18(9-11-23)4-2-12-27/h1,3,5-11,13-16H,2,4,17H2
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n/an/a 93n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325796
PNG
(3-(4-((8-(3-(trifluoromethoxy)phenyl)quinolin-6-yl...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H19F3N2O2/c27-26(28,29)33-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-31-25(21)24)17-32-22-10-8-18(9-11-22)4-2-12-30/h1,3,5-11,13-16H,2,4,17H2
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n/an/a 96n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325792
PNG
(6-((3-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2cccc(Cl)c2)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-20-8-2-5-17(13-20)22-12-16(11-18-6-4-10-25-23(18)22)15-27-21-9-3-7-19(24)14-21/h2-14H,15H2,1H3
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n/an/a 102n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325800
PNG
(3-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES FC(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H20F2N2O2/c27-26(28)32-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-30-25(21)24)17-31-22-10-8-18(9-11-22)4-2-12-29/h1,3,5-11,13-16,26H,2,4,17H2
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n/an/a 103n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325795
PNG
(3-(4-((8-phenylquinolin-6-yl)methoxy)phenyl)propan...)
Show SMILES N#CCCc1ccc(OCc2cc(-c3ccccc3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H20N2O/c26-14-4-6-19-10-12-23(13-11-19)28-18-20-16-22-9-5-15-27-25(22)24(17-20)21-7-2-1-3-8-21/h1-3,5,7-13,15-17H,4,6,18H2
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325794
PNG
(3-(4-((8-(3-methoxyphenyl)quinolin-6-yl)methoxy)ph...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O2/c1-29-24-8-2-6-21(17-24)25-16-20(15-22-7-4-14-28-26(22)25)18-30-23-11-9-19(10-12-23)5-3-13-27/h2,4,6-12,14-17H,3,5,18H2,1H3
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n/an/a 122n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325791
PNG
(6-((2-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccccc2Cl)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-19-8-4-6-17(14-19)20-13-16(12-18-7-5-11-25-23(18)20)15-27-22-10-3-2-9-21(22)24/h2-14H,15H2,1H3
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n/an/a 126n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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n/an/a 151n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325798
PNG
(3-(4-((8-(3-ethoxyphenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES CCOc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C27H24N2O2/c1-2-30-25-9-3-7-22(18-25)26-17-21(16-23-8-5-15-29-27(23)26)19-31-24-12-10-20(11-13-24)6-4-14-28/h3,5,7-13,15-18H,2,4,6,19H2,1H3
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n/an/a 166n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325793
PNG
(8-(3-methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(cc2)C(F)(F)F)cc2cccnc12
Show InChI InChI=1S/C24H18F3NO2/c1-29-21-6-2-4-17(14-21)22-13-16(12-18-5-3-11-28-23(18)22)15-30-20-9-7-19(8-10-20)24(25,26)27/h2-14H,15H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325797
PNG
(3-(4-((8-(3-fluorophenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES Fc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C25H19FN2O/c26-22-7-1-5-20(16-22)24-15-19(14-21-6-3-13-28-25(21)24)17-29-23-10-8-18(9-11-23)4-2-12-27/h1,3,5-11,13-16H,2,4,17H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325795
PNG
(3-(4-((8-phenylquinolin-6-yl)methoxy)phenyl)propan...)
Show SMILES N#CCCc1ccc(OCc2cc(-c3ccccc3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H20N2O/c26-14-4-6-19-10-12-23(13-11-19)28-18-20-16-22-9-5-15-27-25(22)24(17-20)21-7-2-1-3-8-21/h1-3,5,7-13,15-17H,4,6,18H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325792
PNG
(6-((3-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2cccc(Cl)c2)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-20-8-2-5-17(13-20)22-12-16(11-18-6-4-10-25-23(18)22)15-27-21-9-3-7-19(24)14-21/h2-14H,15H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325793
PNG
(8-(3-methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(cc2)C(F)(F)F)cc2cccnc12
Show InChI InChI=1S/C24H18F3NO2/c1-29-21-6-2-4-17(14-21)22-13-16(12-18-5-3-11-28-23(18)22)15-30-20-9-7-19(8-10-20)24(25,26)27/h2-14H,15H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325796
PNG
(3-(4-((8-(3-(trifluoromethoxy)phenyl)quinolin-6-yl...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H19F3N2O2/c27-26(28,29)33-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-31-25(21)24)17-32-22-10-8-18(9-11-22)4-2-12-30/h1,3,5-11,13-16H,2,4,17H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325799
PNG
(3-(4-((8-m-tolylquinolin-6-yl)methoxy)phenyl)propa...)
Show SMILES Cc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O/c1-19-5-2-7-22(15-19)25-17-21(16-23-8-4-14-28-26(23)25)18-29-24-11-9-20(10-12-24)6-3-13-27/h2,4-5,7-12,14-17H,3,6,18H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325792
PNG
(6-((3-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2cccc(Cl)c2)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-20-8-2-5-17(13-20)22-12-16(11-18-6-4-10-25-23(18)22)15-27-21-9-3-7-19(24)14-21/h2-14H,15H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325794
PNG
(3-(4-((8-(3-methoxyphenyl)quinolin-6-yl)methoxy)ph...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O2/c1-29-24-8-2-6-21(17-24)25-16-20(15-22-7-4-14-28-26(22)25)18-30-23-11-9-19(10-12-23)5-3-13-27/h2,4,6-12,14-17H,3,5,18H2,1H3
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n/an/a 414n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50325793
PNG
(8-(3-methoxyphenyl)-6-((4-(trifluoromethyl)phenoxy...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccc(cc2)C(F)(F)F)cc2cccnc12
Show InChI InChI=1S/C24H18F3NO2/c1-29-21-6-2-4-17(14-21)22-13-16(12-18-5-3-11-28-23(18)22)15-30-20-9-7-19(8-10-20)24(25,26)27/h2-14H,15H2,1H3
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n/an/a 418n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325791
PNG
(6-((2-chlorophenoxy)methyl)-8-(3-methoxyphenyl)qui...)
Show SMILES COc1cccc(c1)-c1cc(COc2ccccc2Cl)cc2cccnc12
Show InChI InChI=1S/C23H18ClNO2/c1-26-19-8-4-6-17(14-19)20-13-16(12-18-7-5-11-25-23(18)20)15-27-22-10-3-2-9-21(22)24/h2-14H,15H2,1H3
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n/an/a 469n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50325799
PNG
(3-(4-((8-m-tolylquinolin-6-yl)methoxy)phenyl)propa...)
Show SMILES Cc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O/c1-19-5-2-7-22(15-19)25-17-21(16-23-8-4-14-28-26(23)25)18-29-24-11-9-20(10-12-24)6-3-13-27/h2,4-5,7-12,14-17H,3,6,18H2,1H3
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n/an/a 819n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325798
PNG
(3-(4-((8-(3-ethoxyphenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES CCOc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C27H24N2O2/c1-2-30-25-9-3-7-22(18-25)26-17-21(16-23-8-5-15-29-27(23)26)19-31-24-12-10-20(11-13-24)6-4-14-28/h3,5,7-13,15-18H,2,4,6,19H2,1H3
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n/an/a 1.12E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325797
PNG
(3-(4-((8-(3-fluorophenyl)quinolin-6-yl)methoxy)phe...)
Show SMILES Fc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C25H19FN2O/c26-22-7-1-5-20(16-22)24-15-19(14-21-6-3-13-28-25(21)24)17-29-23-10-8-18(9-11-23)4-2-12-27/h1,3,5-11,13-16H,2,4,17H2
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n/an/a 1.24E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325799
PNG
(3-(4-((8-m-tolylquinolin-6-yl)methoxy)phenyl)propa...)
Show SMILES Cc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H22N2O/c1-19-5-2-7-22(15-19)25-17-21(16-23-8-4-14-28-26(23)25)18-29-24-11-9-20(10-12-24)6-3-13-27/h2,4-5,7-12,14-17H,3,6,18H2,1H3
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n/an/a 1.34E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325795
PNG
(3-(4-((8-phenylquinolin-6-yl)methoxy)phenyl)propan...)
Show SMILES N#CCCc1ccc(OCc2cc(-c3ccccc3)c3ncccc3c2)cc1
Show InChI InChI=1S/C25H20N2O/c26-14-4-6-19-10-12-23(13-11-19)28-18-20-16-22-9-5-15-27-25(22)24(17-20)21-7-2-1-3-8-21/h1-3,5,7-13,15-17H,4,6,18H2
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n/an/a 1.98E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50325786
PNG
(4-(4-((8-(3-(difluoromethoxy)phenyl)quinolin-6-yl)...)
Show SMILES CC(C)(O)CCc1ccc(OCc2cc(-c3cccc(OC(F)F)c3)c3ncccc3c2)cc1
Show InChI InChI=1S/C28H27F2NO3/c1-28(2,32)13-12-19-8-10-23(11-9-19)33-18-20-15-22-6-4-14-31-26(22)25(16-20)21-5-3-7-24(17-21)34-27(29)30/h3-11,14-17,27,32H,12-13,18H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE5A


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50325796
PNG
(3-(4-((8-(3-(trifluoromethoxy)phenyl)quinolin-6-yl...)
Show SMILES FC(F)(F)Oc1cccc(c1)-c1cc(COc2ccc(CCC#N)cc2)cc2cccnc12
Show InChI InChI=1S/C26H19F3N2O2/c27-26(28,29)33-23-7-1-5-20(16-23)24-15-19(14-21-6-3-13-31-25(21)24)17-32-22-10-8-18(9-11-22)4-2-12-30/h1,3,5-11,13-16H,2,4,17H2
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n/an/a 2.83E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4C


Bioorg Med Chem Lett 20: 5502-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.076
BindingDB Entry DOI: 10.7270/Q2K35TVZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%