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Compile Data Set for Download or QSAR

Found 9 hits of kd for Phosphodiesterase 4
having polymerids = 49000917,6551 and
complexids = 50000732   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50310364
PNG
(CHEMBL1077126 | YESSOTOXIN)
Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](OS([O-])(=O)=O)[C@@](C)(CCOS([O-])(=O)=O)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)C[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r|
Show InChI InChI=1S/C55H82O20S2/c1-10-11-29(2)12-15-51(5,56)50-31(4)20-41-40(71-50)25-45-55(9,73-41)28-44-38(68-45)24-43-49(70-44)30(3)13-16-53(7)47(69-43)27-46-54(8,75-53)17-14-32-33(67-46)21-35-34(64-32)22-36-37(65-35)23-42-39(66-36)26-48(74-77(60,61)62)52(6,72-42)18-19-63-76(57,58)59/h10,12,15,30,32-50,56H,1-2,4,11,13-14,16-28H2,3,5-9H3,(H,57,58,59)(H,60,61,62)/p-2/b15-12+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47+,48-,49+,50-,51+,52+,53-,54+,55+/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310365
PNG
(CHEMBL1077121 | desulfated yessotoxin)
Show SMILES C[C@H]1CC[C@]2(C)O[C@]3(C)CC[C@@H]4O[C@@H]5C[C@@H]6O[C@@H]7C[C@H](O)[C@@](C)(CCO)O[C@H]7C[C@H]6O[C@H]5C[C@H]4O[C@H]3C[C@H]2O[C@H]2C[C@H]3O[C@H]4C[C@H]5O[C@@H](C(=C)C[C@@H]5O[C@]4(C)C[C@@H]3O[C@H]12)[C@](C)(O)\C=C\C(=C)CC=C |r|
Show InChI InChI=1S/C55H82O14/c1-10-11-29(2)12-15-51(5,58)50-31(4)20-41-40(66-50)26-46-55(9,68-41)28-44-38(63-46)24-43-49(65-44)30(3)13-16-53(7)48(64-43)27-47-54(8,69-53)17-14-32-33(62-47)21-35-34(59-32)22-36-37(60-35)23-42-39(61-36)25-45(57)52(6,67-42)18-19-56/h10,12,15,30,32-50,56-58H,1-2,4,11,13-14,16-28H2,3,5-9H3/b15-12+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,47-,48+,49+,50-,51+,52+,53-,54+,55+/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310366
PNG
(Brevetoxin | CHEMBL1077122)
Show SMILES C[C@@H]1C[C@@H]2O[C@@H]3C[C@@H]4OC(=O)C=C(C)[C@H]4O[C@@]3(C)C[C@H]2O[C@H]2CC[C@@]3(C)O[C@@]4(C)C[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)[C@@H](O)C[C@@H](CC(=C)C=O)O[C@@H]8C[C@@H]7O[C@@H]6\C=C/C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]12 |r,c:59,t:11|
Show InChI InChI=1S/C49H68O14/c1-24(23-50)13-27-16-38(51)49(7)42(53-27)18-33-34(61-49)17-32-28(54-33)9-8-10-29-36(56-32)22-48(6)41(57-29)20-40-46(4,63-48)12-11-30-44(60-40)25(2)14-31-37(55-30)21-47(5)39(58-31)19-35-45(62-47)26(3)15-43(52)59-35/h8-9,15,23,25,27-42,44-45,51H,1,10-14,16-22H2,2-7H3/b9-8-/t25-,27-,28-,29+,30+,31+,32+,33+,34-,35+,36-,37-,38+,39-,40+,41-,42-,44-,45-,46-,47+,48+,49+/m1/s1
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n/an/an/a 3.80E+3n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310367
PNG
((2R,3S,5R,6S)-5-(benzyloxy)-6-(2-(benzyloxy)ethyl)...)
Show SMILES OC[C@H]1O[C@@H](CCOCc2ccccc2)[C@@H](C[C@@H]1O)OCc1ccccc1 |r|
Show InChI InChI=1S/C22H28O5/c23-14-22-19(24)13-21(26-16-18-9-5-2-6-10-18)20(27-22)11-12-25-15-17-7-3-1-4-8-17/h1-10,19-24H,11-16H2/t19-,20-,21+,22+/m0/s1
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n/an/an/a 8.00E+4n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50512753
PNG
(CHEMBL4463356)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(N)=O |r,c:3,9|
Show InChI InChI=1S/C21H23N3O3/c1-13(2)24-21(26)17-7-5-4-6-16(17)20(23-24)15-8-10-18(27-3)14(12-15)9-11-19(22)25/h4-5,8,10,12-13,16-17H,6-7H2,1-3H3,(H2,22,25)/t16-,17+/m0/s1
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n/an/an/a 251n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to human PDE4D assessed as dissociation constant treated for 60 secs measured for 300 secs by SPR assay


Bioorg Med Chem 27: 4013-4029 (2019)


Article DOI: 10.1016/j.bmc.2019.06.026
BindingDB Entry DOI: 10.7270/Q2Z03CHQ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310369
PNG
((2R,3S,4aR,5aS,6aR,8S,9R,10aS,11aR,13aS)-9-Benzylo...)
Show SMILES C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@@H](CCOCc3ccccc3)[C@@H](C[C@@H]1O2)OCc1ccccc1 |r|
Show InChI InChI=1S/C33H44O8/c1-33-14-12-25-28(16-24(35)31(19-34)39-25)40-32(33)18-29-30(41-33)17-27(37-21-23-10-6-3-7-11-23)26(38-29)13-15-36-20-22-8-4-2-5-9-22/h2-11,24-32,34-35H,12-21H2,1H3/t24-,25-,26-,27+,28+,29+,30-,31+,32-,33+/m0/s1
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n/an/an/a 1.10E+4n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50246052
PNG
((1S,3R,5S,7R,9S,10R,12S,14R,17S,19R,21S,23R,25S,26...)
Show SMILES C[C@@]12CC[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@H](O)[C@@H](CO)O[C@H]6CC[C@@]5(C)O[C@H]4C[C@H]3O[C@H]1C[C@H]1O[C@@H](CCOCc3ccccc3)[C@@H](C[C@@H]1O2)OCc1ccccc1 |r|
Show InChI InChI=1S/C44H60O11/c1-43-16-13-30-34(19-29(46)40(24-45)51-30)52-41(43)23-37-39(55-43)21-35-31(49-37)14-17-44(2)42(53-35)22-36-38(54-44)20-33(48-26-28-11-7-4-8-12-28)32(50-36)15-18-47-25-27-9-5-3-6-10-27/h3-12,29-42,45-46H,13-26H2,1-2H3/t29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40+,41-,42-,43+,44+/m0/s1
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n/an/an/a 4.80E+3n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50512766
PNG
(CHEMBL4436770)
Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C(C)C)C2=O)c1ccc(OC)c(c1)C#CC(=O)NCc1ccccc1 |r,c:3,9|
Show InChI InChI=1S/C28H29N3O3/c1-19(2)31-28(33)24-12-8-7-11-23(24)27(30-31)22-13-15-25(34-3)21(17-22)14-16-26(32)29-18-20-9-5-4-6-10-20/h4-10,13,15,17,19,23-24H,11-12,18H2,1-3H3,(H,29,32)/t23-,24+/m0/s1
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n/an/an/a 79n/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Binding affinity to human PDE4D assessed as dissociation constant treated for 320 secs measured for 900 secs by SPR assay


Bioorg Med Chem 27: 4013-4029 (2019)


Article DOI: 10.1016/j.bmc.2019.06.026
BindingDB Entry DOI: 10.7270/Q2Z03CHQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50310368
PNG
((2R,3S,4aR,5aS,6aR,8S,9R,10aS,11aR,13aS)-8-(2-Hydr...)
Show SMILES C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@@H](CCO)[C@H](O)C[C@@H]1O2 |r|
Show InChI InChI=1S/C19H32O8/c1-19-4-2-13-14(6-11(23)17(9-21)25-13)26-18(19)8-15-16(27-19)7-10(22)12(24-15)3-5-20/h10-18,20-23H,2-9H2,1H3/t10-,11+,12+,13+,14-,15-,16+,17-,18+,19-/m1/s1
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n/an/an/a 2.90E+4n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to recombinant PDE4D by surface plasmon resonance assay


Bioorg Med Chem Lett 19: 2824-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.103
BindingDB Entry DOI: 10.7270/Q2C53KZG
More data for this
Ligand-Target Pair