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Compile Data Set for Download or QSAR

Found 7 hits of kd data for polymerid = 6551   
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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PubMed
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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PubMed
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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PubMed
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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PubMed
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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PubMed
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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UniChem
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PubMed
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
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(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
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
PDB

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UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
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