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Compile Data Set for Download or QSAR

Found 166 hits with Last Name = 'muise' and Initial = 'e'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128419
PNG
(1-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(O)(c1ccccc1)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C28H24F4N2O4/c1-28(35,21-5-3-2-4-6-21)25-10-8-20(17-33-25)22(15-18-11-13-34(36)14-12-18)19-7-9-23(37-26(29)30)24(16-19)38-27(31)32/h2-14,16-17,22,26-27,35H,15H2,1H3
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1.18E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50409702
PNG
(CHEMBL2112296)
Show SMILES OC(c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H18F8N2O4S/c24-20(25)37-16-4-1-13(10-17(16)36-14-2-3-14)15(9-12-5-7-33(35)8-6-12)18-11-32-19(38-18)21(34,22(26,27)28)23(29,30)31/h1,4-8,10-11,14-15,20,34H,2-3,9H2
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2.10E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50409699
PNG
(CHEMBL2112294)
Show SMILES CC(C)(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
Show InChI InChI=1S/C27H29F2NO4/c1-27(2,31)21-9-6-19(7-10-21)23(16-18-12-14-30(32)15-13-18)20-8-11-24(34-26(28)29)25(17-20)33-22-4-3-5-22/h6-15,17,22-23,26,31H,3-5,16H2,1-2H3
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2.24E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128424
PNG
(2-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H22F4N2O4/c1-23(2,30)20-6-4-16(13-28-20)17(11-14-7-9-29(31)10-8-14)15-3-5-18(32-21(24)25)19(12-15)33-22(26)27/h3-10,12-13,17,21-22,30H,11H2,1-2H3
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2.27E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128686
PNG
(2-{5-[1-(3-Cyclobutoxy-4-difluoromethoxy-phenyl)-2...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
Show InChI InChI=1S/C26H28F2N2O4/c1-26(2,31)24-9-7-19(16-29-24)21(14-17-10-12-30(32)13-11-17)18-6-8-22(34-25(27)28)23(15-18)33-20-4-3-5-20/h6-13,15-16,20-21,25,31H,3-5,14H2,1-2H3
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2.50E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128424
PNG
(2-{5-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H22F4N2O4/c1-23(2,30)20-6-4-16(13-28-20)17(11-14-7-9-29(31)10-8-14)15-3-5-18(32-21(24)25)19(12-15)33-22(26)27/h3-10,12-13,17,21-22,30H,11H2,1-2H3
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2.54E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128689
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-8-4-18(15-28-23)20(13-16-9-11-29(31)12-10-16)17-3-7-21(33-24(26)27)22(14-17)32-19-5-6-19/h3-4,7-12,14-15,19-20,24,30H,5-6,13H2,1-2H3
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2.64E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50409700
PNG
(CHEMBL2112295)
Show SMILES OC(c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20F8N2O4S/c25-21(26)38-17-5-4-14(11-18(17)37-15-2-1-3-15)16(10-13-6-8-34(36)9-7-13)19-12-33-20(39-19)22(35,23(27,28)29)24(30,31)32/h4-9,11-12,15-16,21,35H,1-3,10H2
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3.81E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50409701
PNG
(CHEMBL383762)
Show SMILES OC(c1ncc(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)18-10-32-19(38-18)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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3.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128689
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-8-4-18(15-28-23)20(13-16-9-11-29(31)12-10-16)17-3-7-21(33-24(26)27)22(14-17)32-19-5-6-19/h3-4,7-12,14-15,19-20,24,30H,5-6,13H2,1-2H3
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4.15E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128683
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-10-6-18(14-28-23)20(12-16-4-3-11-29(31)15-16)17-5-9-21(33-24(26)27)22(13-17)32-19-7-8-19/h3-6,9-11,13-15,19-20,24,30H,7-8,12H2,1-2H3
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4.22E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128683
PNG
(2-{5-[1-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1ccc[n+]([O-])c1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,30)23-10-6-18(14-28-23)20(12-16-4-3-11-29(31)15-16)17-5-9-21(33-24(26)27)22(13-17)32-19-7-8-19/h3-6,9-11,13-15,19-20,24,30H,7-8,12H2,1-2H3
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4.47E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128692
PNG
(5-{2-(3-Cyclopropoxy-4-difluoromethoxy-phenyl)-2-[...)
Show SMILES CC(C)(O)c1ccc(cn1)C(Cc1ccc(=O)[nH]c1)c1ccc(OC(F)F)c(OC2CC2)c1
Show InChI InChI=1S/C25H26F2N2O4/c1-25(2,31)22-9-5-17(14-28-22)19(11-15-3-10-23(30)29-13-15)16-4-8-20(33-24(26)27)21(12-16)32-18-6-7-18/h3-5,8-10,12-14,18-19,24,31H,6-7,11H2,1-2H3,(H,29,30)
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5.59E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50128685
PNG
(2-{5-[1-(3-Cyclobutoxy-4-difluoromethoxy-phenyl)-2...)
Show SMILES CC(C)(O)c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
Show InChI InChI=1S/C24H26F2N2O4S/c1-24(2,29)22-27-14-21(33-22)18(12-15-8-10-28(30)11-9-15)16-6-7-19(32-23(25)26)20(13-16)31-17-4-3-5-17/h6-11,13-14,17-18,23,29H,3-5,12H2,1-2H3
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5.84E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50174020
PNG
((S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-...)
Show SMILES OC(c1ncc(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)18-10-32-19(38-18)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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6.14E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro displacement of [35S]-MK- 499 from HEK 293 cells stably transfected with hERG voltage-gated potassium channel subunit Kv11.1


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274028
PNG
(CHEMBL499477 | N-(3,5-dichloropyridin-4-yl)-1-(3-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H22Cl2N6O5S/c1-18-37-32(45-39-18)24(20-8-10-22(11-9-20)46(2,43)44)14-19-5-3-6-21(13-19)40-17-25(29(41)23-7-4-12-36-30(23)40)31(42)38-28-26(33)15-35-16-27(28)34/h3-17H,1-2H3,(H,35,38,42)/b24-14+
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174030
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H27N3O3S/c1-19(2)25-17-24-9-6-14-31-29(24)27(18-25)23-8-5-7-21(15-23)16-28(30-32-20(3)33-36-30)22-10-12-26(13-11-22)37(4,34)35/h5-19H,1-4H3/b28-16+
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n/an/a 0.0700n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174030
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H27N3O3S/c1-19(2)25-17-24-9-6-14-31-29(24)27(18-25)23-8-5-7-21(15-23)16-28(30-32-20(3)33-36-30)22-10-12-26(13-11-22)37(4,34)35/h5-19H,1-4H3/b28-16+
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n/an/a 0.160n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274031
PNG
(1-(3'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(=O)c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)Nc2nccc(Cl)c2Cl)c(=O)c2cccnc12
Show InChI InChI=1S/C28H18Cl2N4O3/c1-16(35)17-5-2-6-18(13-17)19-7-3-8-20(14-19)34-15-22(25(36)21-9-4-11-32-27(21)34)28(37)33-26-24(30)23(29)10-12-31-26/h2-15H,1H3,(H,31,33,37)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174025
PNG
(6-isopropyl-8-(3-(2-(4-(methylsulfonyl)phenyl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nccs3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H26N2O2S2/c1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h4-20H,1-3H3/b28-17+
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n/an/a 0.190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174030
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H27N3O3S/c1-19(2)25-17-24-9-6-14-31-29(24)27(18-25)23-8-5-7-21(15-23)16-28(30-32-20(3)33-36-30)22-10-12-26(13-11-22)37(4,34)35/h5-19H,1-4H3/b28-16+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174028
PNG
((E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(/c3ccc(cc3)S(C)(=O)=O)c3ccc(C)cn3)c2)c2ncccc2c1
Show InChI InChI=1S/C33H30N2O2S/c1-22(2)28-19-27-9-6-16-34-33(27)31(20-28)26-8-5-7-24(17-26)18-30(32-15-10-23(3)21-35-32)25-11-13-29(14-12-25)38(4,36)37/h5-22H,1-4H3/b30-18+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174028
PNG
((E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(/c3ccc(cc3)S(C)(=O)=O)c3ccc(C)cn3)c2)c2ncccc2c1
Show InChI InChI=1S/C33H30N2O2S/c1-22(2)28-19-27-9-6-16-34-33(27)31(20-28)26-8-5-7-24(17-26)18-30(32-15-10-23(3)21-35-32)25-11-13-29(14-12-25)38(4,36)37/h5-22H,1-4H3/b30-18+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174028
PNG
((E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(/c3ccc(cc3)S(C)(=O)=O)c3ccc(C)cn3)c2)c2ncccc2c1
Show InChI InChI=1S/C33H30N2O2S/c1-22(2)28-19-27-9-6-16-34-33(27)31(20-28)26-8-5-7-24(17-26)18-30(32-15-10-23(3)21-35-32)25-11-13-29(14-12-25)38(4,36)37/h5-22H,1-4H3/b30-18+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174029
PNG
((E)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17+
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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 PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174031
PNG
((Z)-2-(4-(2-(3-(6-isopropylquinolin-8-yl)phenyl)-1...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3ccc(cc3)C(C)(C)O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C36H35NO3S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40/h6-24,38H,1-5H3/b33-21-
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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 PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174025
PNG
(6-isopropyl-8-(3-(2-(4-(methylsulfonyl)phenyl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nccs3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H26N2O2S2/c1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h4-20H,1-3H3/b28-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174013
PNG
((E)-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(m...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\C(O)=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C28H25NO4S/c1-18(2)23-16-22-8-5-13-29-27(22)25(17-23)21-7-4-6-19(14-21)15-26(28(30)31)20-9-11-24(12-10-20)34(3,32)33/h4-18H,1-3H3,(H,30,31)/b26-15+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174023
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccccn3)c2)c2ncccc2c1
Show InChI InChI=1S/C28H24N4O/c1-18(2)23-16-22-10-7-13-30-27(22)24(17-23)21-9-6-8-20(14-21)15-25(26-11-4-5-12-29-26)28-31-19(3)32-33-28/h4-18H,1-3H3/b25-15+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174018
PNG
((E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phe...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)C)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N2O3S/c1-20(2)26-18-25-10-7-15-32-30(25)28(19-26)24-9-6-8-22(16-24)17-29(31(34)33-21(3)4)23-11-13-27(14-12-23)37(5,35)36/h6-21H,1-5H3,(H,33,34)/b29-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174013
PNG
((E)-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(m...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\C(O)=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C28H25NO4S/c1-18(2)23-16-22-8-5-13-29-27(22)25(17-23)21-7-4-6-19(14-21)15-26(28(30)31)20-9-11-24(12-10-20)34(3,32)33/h4-18H,1-3H3,(H,30,31)/b26-15+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174018
PNG
((E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phe...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)C)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C31H32N2O3S/c1-20(2)26-18-25-10-7-15-32-30(25)28(19-26)24-9-6-8-22(16-24)17-29(31(34)33-21(3)4)23-11-13-27(14-12-23)37(5,35)36/h6-21H,1-5H3,(H,33,34)/b29-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274188
PNG
(1-(4'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C(C)=O)c2ncccc2c1=O
Show InChI InChI=1S/C26H23N3O3/c1-16(2)28-26(32)23-15-29(25-22(24(23)31)8-5-13-27-25)21-7-4-6-20(14-21)19-11-9-18(10-12-19)17(3)30/h4-16H,1-3H3,(H,28,32)
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274789
PNG
(1-(3'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2cccc(c2)C(C)=O)c2ncccc2c1=O
Show InChI InChI=1S/C26H23N3O3/c1-16(2)28-26(32)23-15-29(25-22(24(23)31)11-6-12-27-25)21-10-5-9-20(14-21)19-8-4-7-18(13-19)17(3)30/h4-16H,1-3H3,(H,28,32)
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174020
PNG
((S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-...)
Show SMILES OC(c1ncc(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)18-10-32-19(38-18)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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50174028
PNG
((E)-6-isopropyl-8-(3-(2-(5-methylpyridin-2-yl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(/c3ccc(cc3)S(C)(=O)=O)c3ccc(C)cn3)c2)c2ncccc2c1
Show InChI InChI=1S/C33H30N2O2S/c1-22(2)28-19-27-9-6-16-34-33(27)31(20-28)26-8-5-7-24(17-26)18-30(32-15-10-23(3)21-35-32)25-11-13-29(14-12-25)38(4,36)37/h5-22H,1-4H3/b30-18+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4C


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174021
PNG
((Z)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)
Show SMILES CC(C)NC(=O)C(=C/c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174020
PNG
((S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-...)
Show SMILES OC(c1ncc(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)18-10-32-19(38-18)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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174020
PNG
((S)-(+)-3-{2-[(3-Cyclopropyloxy-4-difluromethoxy)-...)
Show SMILES OC(c1ncc(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)18-10-32-19(38-18)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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174031
PNG
((Z)-2-(4-(2-(3-(6-isopropylquinolin-8-yl)phenyl)-1...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3ccc(cc3)C(C)(C)O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C36H35NO3S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40/h6-24,38H,1-5H3/b33-21-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274027
PNG
(1-(4-chlorophenyl)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES Clc1ccc(cc1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12
Show InChI InChI=1S/C20H11Cl3N4O2/c21-11-3-5-12(6-4-11)27-10-14(18(28)13-2-1-7-25-19(13)27)20(29)26-17-15(22)8-24-9-16(17)23/h1-10H,(H,24,26,29)
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Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174025
PNG
(6-isopropyl-8-(3-(2-(4-(methylsulfonyl)phenyl)-2-(...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nccs3)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C30H26N2O2S2/c1-20(2)25-18-24-8-5-13-31-29(24)27(19-25)23-7-4-6-21(16-23)17-28(30-32-14-15-35-30)22-9-11-26(12-10-22)36(3,33)34/h4-20H,1-3H3/b28-17+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50174015
PNG
((E)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)-3-(3-...)
Show SMILES CC(C)NC(=O)C(=C\c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)S(C)(=O)=O)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H34N2O5S2/c1-21(2)34-31(35)29(23-12-14-27(15-13-23)40(5,36)37)18-22-9-7-10-24(17-22)28-20-26(32(3,4)41(6,38)39)19-25-11-8-16-33-30(25)28/h7-21H,1-6H3,(H,34,35)/b29-18+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174031
PNG
((Z)-2-(4-(2-(3-(6-isopropylquinolin-8-yl)phenyl)-1...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3ccc(cc3)C(C)(C)O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C36H35NO3S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40/h6-24,38H,1-5H3/b33-21-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4C


(Homo sapiens (Human))
BDBM50174031
PNG
((Z)-2-(4-(2-(3-(6-isopropylquinolin-8-yl)phenyl)-1...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3ccc(cc3)C(C)(C)O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C36H35NO3S/c1-24(2)30-22-29-10-7-19-37-35(29)34(23-30)28-9-6-8-25(20-28)21-33(26-11-15-31(16-12-26)36(3,4)38)27-13-17-32(18-14-27)41(5,39)40/h6-24,38H,1-5H3/b33-21-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4C


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174013
PNG
((E)-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(m...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\C(O)=O)c3ccc(cc3)S(C)(=O)=O)c2)c2ncccc2c1
Show InChI InChI=1S/C28H25NO4S/c1-18(2)23-16-22-8-5-13-29-27(22)25(17-23)21-7-4-6-19(14-21)15-26(28(30)31)20-9-11-24(12-10-20)34(3,32)33/h4-18H,1-3H3,(H,30,31)/b26-15+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
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
Inhibitory activity against PDE4B


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50128685
PNG
(2-{5-[1-(3-Cyclobutoxy-4-difluoromethoxy-phenyl)-2...)
Show SMILES CC(C)(O)c1ncc(s1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC2CCC2)c1
Show InChI InChI=1S/C24H26F2N2O4S/c1-24(2,29)22-27-14-21(33-22)18(12-15-8-10-28(30)11-9-15)16-6-7-19(32-23(25)26)20(13-16)31-17-4-3-5-17/h6-11,13-14,17-18,23,29H,3-5,12H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity was determined against human Phosphodiesterase 4 isoform using a construct representing the common region of spliced var...


J Med Chem 46: 2413-26 (2003)


Article DOI: 10.1021/jm0204542
BindingDB Entry DOI: 10.7270/Q24X5756
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50174023
PNG
((E)-6-isopropyl-8-(3-(2-(3-methyl-1,2,4-oxadiazol-...)
Show SMILES CC(C)c1cc(-c2cccc(\C=C(\c3nc(C)no3)c3ccccn3)c2)c2ncccc2c1
Show InChI InChI=1S/C28H24N4O/c1-18(2)23-16-22-10-7-13-30-27(22)24(17-23)21-9-6-8-20(14-21)15-25(26-11-4-5-12-29-26)28-31-19(3)32-33-28/h4-18H,1-3H3/b25-15+
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4A


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50174021
PNG
((Z)-3-(3-(6-(2-cyanopropan-2-yl)quinolin-8-yl)phen...)
Show SMILES CC(C)NC(=O)C(=C/c1cccc(c1)-c1cc(cc2cccnc12)C(C)(C)C#N)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H31N3O3S/c1-21(2)35-31(36)29(23-11-13-27(14-12-23)39(5,37)38)17-22-8-6-9-24(16-22)28-19-26(32(3,4)20-33)18-25-10-7-15-34-30(25)28/h6-19,21H,1-5H3,(H,35,36)/b29-17-
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory activity against PDE4D


Bioorg Med Chem Lett 15: 5241-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.036
BindingDB Entry DOI: 10.7270/Q2B56KHG
More data for this
Ligand-Target Pair
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