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Compile Data Set for Download or QSAR

Found 1216 hits of ic50 for UniProtKB: P79208   
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
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317931
PNG
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 0.570n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317932
PNG
((2R*,3S*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-3,4...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22ClNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 0.650n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317924
PNG
((2R*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-4-pheny...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18ClNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50088679
PNG
(2-Phenyl-isoindole-1,3-dione | 2-phenyl-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50066441
PNG
(2-(2,6-Dimethyl-phenyl)-isoindole-1,3-dione | 2-(2...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50219329
PNG
(CHEMBL8968)
Show SMILES Cc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
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The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317930
PNG
((2R*,3S*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-3,4...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22FNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317929
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)-2-(4-fluor...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(F)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27FO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 1.28n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317920
PNG
((2R*,4R*,6S*)-Tetrahydro-2,4-diphenyl-6-(thiocyana...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H19NO2S/c20-14-23-13-17-11-19(21,16-9-5-2-6-10-16)12-18(22-17)15-7-3-1-4-8-15/h1-10,17-18,21H,11-13H2/t17-,18+,19-/m0/s1
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n/an/a 1.47n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317928
PNG
((2R*,3S*,4R*,6S*)-Tetrahydro-2,3,4-triphenyl-6-(th...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H23NO2S/c26-18-29-17-22-16-25(27,21-14-8-3-9-15-21)23(19-10-4-1-5-11-19)24(28-22)20-12-6-2-7-13-20/h1-15,22-24,27H,16-17H2/t22-,23-,24-,25-/m0/s1
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n/an/a 1.55n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317927
PNG
((2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccccc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H28O2S/c1-2-29-19-23-18-26(27,22-16-10-5-11-17-22)24(20-12-6-3-7-13-20)25(28-23)21-14-8-4-9-15-21/h3-17,23-25,27H,2,18-19H2,1H3/t23-,24-,25-,26-/m0/s1
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Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317923
PNG
((2R*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio)met...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23ClO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317921
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophe...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23FO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 2.05n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317919
PNG
((2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24O2S/c1-2-23-15-18-13-20(21,17-11-7-4-8-12-17)14-19(22-18)16-9-5-3-6-10-16/h3-12,18-19,21H,2,13-15H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 2.07n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317933
PNG
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)...)
Show SMILES CCSC[C@@H]1C[C@@](O)([C@H]([C@@H](O1)c1ccc(Br)cc1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H27BrO2S/c1-2-30-18-23-17-26(28,21-11-7-4-8-12-21)24(19-9-5-3-6-10-19)25(29-23)20-13-15-22(27)16-14-20/h3-16,23-25,28H,2,17-18H2,1H3/t23-,24-,25-,26-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50608300
PNG
(CHEMBL5282305)
Show SMILES O=C1CC(Nc2ccccc2NC(=S)NC2CCCCC2)=NN1 |c:22|
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n/an/a 2.80n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50129504
PNG
(6-Ethylsulfanyl-3-(4-methanesulfonyl-phenyl)-4-phe...)
Show SMILES CCSc1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C20H18O4S2/c1-3-25-18-13-17(14-7-5-4-6-8-14)19(20(21)24-18)15-9-11-16(12-10-15)26(2,22)23/h4-13H,3H2,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibition against ovine Prostaglandin G/H synthase 2


Bioorg Med Chem Lett 13: 2205-9 (2003)


BindingDB Entry DOI: 10.7270/Q2J102KC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317922
PNG
((2R*,4R*,6S*)-2-(4-Fluorophenyl)tetrahydro-4-pheny...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(F)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18FNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 3.57n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317926
PNG
((2R*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-4-phenyl...)
Show SMILES O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C19H18BrNO2S/c20-16-8-6-14(7-9-16)18-11-19(22,15-4-2-1-3-5-15)10-17(23-18)12-24-13-21/h1-9,17-18,22H,10-12H2/t17-,18+,19-/m0/s1
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n/an/a 4.01n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317934
PNG
((2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-3,4-...)
Show SMILES O[C@@]1(C[C@@H](CSC#N)O[C@H]([C@@H]1c1ccccc1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H22BrNO2S/c26-21-13-11-19(12-14-21)24-23(18-7-3-1-4-8-18)25(28,20-9-5-2-6-10-20)15-22(29-24)16-30-17-27/h1-14,22-24,28H,15-16H2/t22-,23-,24-,25-/m0/s1
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n/an/a 4.03n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50608301
PNG
(CHEMBL5269492)
Show SMILES CCCCNc1nc2ccccc2n1C1=NN=C(O)C1 |t:16,18|
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n/an/a 4.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50317925
PNG
((2R*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)meth...)
Show SMILES CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(Br)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C20H23BrO2S/c1-2-24-14-18-12-20(22,16-6-4-3-5-7-16)13-19(23-18)15-8-10-17(21)11-9-15/h3-11,18-19,22H,2,12-14H2,1H3/t18-,19+,20-/m0/s1
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n/an/a 5.49n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2a formation after 20 mins by Ellman's method


J Med Chem 53: 3707-17 (2010)


Article DOI: 10.1021/jm1001327
BindingDB Entry DOI: 10.7270/Q2NP24KF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038399
PNG
(CHEMBL3361124)
Show SMILES Brc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11BrN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a 9.5n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038400
PNG
(CHEMBL3361125)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)S(C)(=O)=O)c2ccccc12
Show InChI InChI=1S/C19H17NO3S/c1-20-13-15(17-5-3-4-6-18(17)20)9-12-19(21)14-7-10-16(11-8-14)24(2,22)23/h3-13H,1-2H3/b12-9+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038401
PNG
(CHEMBL3361126)
Show SMILES Cn1cc(\C=C\C(=O)c2ccc(cc2)C#N)c2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-21-13-16(17-4-2-3-5-18(17)21)10-11-19(22)15-8-6-14(12-20)7-9-15/h2-11,13H,1H3/b11-10+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038398
PNG
(CHEMBL3361123)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C18H14BrNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM17638
PNG
(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038421
PNG
(CHEMBL3361127)
Show SMILES CC(=O)Nc1ccc(cc1)C(=O)\C=C\c1cn(C)c2ccccc12
Show InChI InChI=1S/C20H18N2O2/c1-14(23)21-17-10-7-15(8-11-17)20(24)12-9-16-13-22(2)19-6-4-3-5-18(16)19/h3-13H,1-2H3,(H,21,23)/b12-9+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038397
PNG
(CHEMBL3361122)
Show SMILES Clc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C18H11ClN2O/c19-15-6-7-17-16(9-15)14(11-21-17)5-8-18(22)13-3-1-12(10-20)2-4-13/h1-9,11,21H/b8-5+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038396
PNG
(CHEMBL3361121)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=O)\C=C\c1c[nH]c2ccc(Cl)cc12
Show InChI InChI=1S/C18H14ClNO3S/c1-24(22,23)15-6-2-12(3-7-15)18(21)9-4-13-11-20-17-8-5-14(19)10-16(13)17/h2-11,20H,1H3/b9-4+
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n/an/a>10n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038395
PNG
(CHEMBL3361120)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)C#N)c2c1
Show InChI InChI=1S/C19H14N2O2/c1-23-16-7-8-18-17(10-16)15(12-21-18)6-9-19(22)14-4-2-13(11-20)3-5-14/h2-10,12,21H,1H3/b9-6+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50038394
PNG
(CHEMBL3361119)
Show SMILES COc1ccc2[nH]cc(\C=C\C(=O)c3ccc(cc3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H17NO4S/c1-24-15-6-9-18-17(11-15)14(12-20-18)5-10-19(21)13-3-7-16(8-4-13)25(2,22)23/h3-12,20H,1-2H3/b10-5+
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Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid substrate incubated for 5 mins by colorimetry


Eur J Med Chem 89: 304-9 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.056
BindingDB Entry DOI: 10.7270/Q2PG1TBF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111216
PNG
(5-Amino-2-((R)-3-methyl-2,6-dioxo-piperidin-3-yl)-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H13N3O4/c1-14(5-4-10(18)16-13(14)21)17-11(19)8-3-2-7(15)6-9(8)12(17)20/h2-3,6H,4-5,15H2,1H3,(H,16,18,21)/t14-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50325646
PNG
(1-(4-Methoxyphenyl)-3-trifluoromethyl-5-(3-methyl-...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc2n(C)c(=O)oc2c1)C(F)(F)F
Show InChI InChI=1S/C19H14F3N3O3/c1-24-14-8-3-11(9-16(14)28-18(24)26)15-10-17(19(20,21)22)23-25(15)12-4-6-13(27-2)7-5-12/h3-10H,1-2H3
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n/an/a 11n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50325644
PNG
(1-(4-Chlorophenyl)-3-trifluoromethyl-5-(3-methyl-2...)
Show SMILES Cn1c2ccc(cc2oc1=O)-c1cc(nn1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C18H11ClF3N3O2/c1-24-13-7-2-10(8-15(13)27-17(24)26)14-9-16(18(20,21)22)23-25(14)12-5-3-11(19)4-6-12/h2-9H,1H3
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n/an/a 11n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX2 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)


Article DOI: 10.1016/j.bmc.2010.07.009
BindingDB Entry DOI: 10.7270/Q2VH5P15
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50570875
PNG
(CHEMBL4865603)
Show SMILES COc1ccc(\C=C2/N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:8|
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TBA

Assay Description
Inhibition of ovine COX-2 by colorimetric analysis


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113457
BindingDB Entry DOI: 10.7270/Q2VM4H26
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227578
PNG
(5-(4-Methoxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES COc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:8|
Show InChI InChI=1S/C22H18N4O2/c1-28-19-11-9-16(10-12-19)14-20-22(27)25-26(18-7-3-2-4-8-18)21(24-20)17-6-5-13-23-15-17/h2-15H,1H3,(H,25,27)/b20-14+
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n/an/a 11n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143476
PNG
(4-(1-Benzhydrylidene-pentyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C25H26O3S/c1-3-4-15-24(20-16-18-23(19-17-20)29(26,27)28-2)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine


Bioorg Med Chem Lett 14: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50324804
PNG
((2-(4-(methylsulfonyl)phenyl)hex-1-ene-1,1-diyl)di...)
Show SMILES [#6]-[#6]-[#6]-[#6]\[#6](=[#6](/c1ccccc1)-c1ccccc1)-c1ccc(cc1)S([#6])(=O)=O
Show InChI InChI=1S/C25H26O2S/c1-3-4-15-24(20-16-18-23(19-17-20)28(2,26)27)25(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,16-19H,3-4,15H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



American University of Ras Al Khaimah

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate assessed as reduction in PGF2alpha production preincubated for 5 mins followed by substr...


Eur J Med Chem 143: 515-531 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.056
BindingDB Entry DOI: 10.7270/Q21V5HMQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227581
PNG
(2-Phenyl-3-(pyridin-3-yl)-5-(pyridin-3-ylmethylene...)
Show SMILES O=C1NN(C(=N\C1=C\c1cccnc1)c1cccnc1)c1ccccc1 |c:4|
Show InChI InChI=1S/C20H15N5O/c26-20-18(12-15-6-4-10-21-13-15)23-19(16-7-5-11-22-14-16)25(24-20)17-8-2-1-3-9-17/h1-14H,(H,24,26)/b18-12+
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n/an/a 14n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50355036
PNG
(CHEMBL1835477)
Show SMILES CC(=O)Oc1cc(F)ccc1-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H13F4N3O4S/c1-10(26)29-16-8-11(19)2-7-14(16)15-9-17(18(20,21)22)24-25(15)12-3-5-13(6-4-12)30(23,27)28/h2-9H,1H3,(H2,23,27,28)
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n/an/a 15n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 6074-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.053
BindingDB Entry DOI: 10.7270/Q2NK3FD8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227580
PNG
(5-(2-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccccc1\C=C1\N=C(N(NC1=O)c1ccccc1)c1cccnc1 |c:10|
Show InChI InChI=1S/C21H16N4O2/c26-19-11-5-4-7-15(19)13-18-21(27)24-25(17-9-2-1-3-10-17)20(23-18)16-8-6-12-22-14-16/h1-14,26H,(H,24,27)/b18-13+
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n/an/a 17n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227579
PNG
(5-(4-(Dimethylamino) benzylidene)-2-phenyl-3-(pyri...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C23H21N5O/c1-27(2)19-12-10-17(11-13-19)15-21-23(29)26-28(20-8-4-3-5-9-20)22(25-21)18-7-6-14-24-16-18/h3-16H,1-2H3,(H,26,29)/b21-15+
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n/an/a 19n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227577
PNG
(5-(4-Hydroxybenzylidene)-2-phenyl-3-(pyridin-3-yl)...)
Show SMILES Oc1ccc(\C=C2\N=C(N(NC2=O)c2ccccc2)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C21H16N4O2/c26-18-10-8-15(9-11-18)13-19-21(27)24-25(17-6-2-1-3-7-17)20(23-19)16-5-4-12-22-14-16/h1-14,26H,(H,24,27)/b19-13+
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Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227572
PNG
(4-(4-(Dimethylamino)benzylidene)-2-(pyridin-3-yl)o...)
Show SMILES CN(C)c1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:9|
Show InChI InChI=1S/C17H15N3O2/c1-20(2)14-7-5-12(6-8-14)10-15-17(21)22-16(19-15)13-4-3-9-18-11-13/h3-11H,1-2H3/b15-10+
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n/an/a 19n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50150726
PNG
(3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2ccccc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C25H20O5S/c1-29-20-12-8-18(9-13-20)23-16-22(17-6-4-3-5-7-17)24(25(26)30-23)19-10-14-21(15-11-19)31(2,27)28/h3-16H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine Prostaglandin G/H synthase 2


J Med Chem 47: 3972-90 (2004)


Article DOI: 10.1021/jm049939b
BindingDB Entry DOI: 10.7270/Q22F7MXX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM227570
PNG
(4-(4-Hydroxybenzylidene)-2-(pyridin-3-yl)oxazol-5(...)
Show SMILES Oc1ccc(\C=C2\N=C(OC2=O)c2cccnc2)cc1 |c:7|
Show InChI InChI=1S/C15H10N2O3/c18-12-5-3-10(4-6-12)8-13-15(19)20-14(17-13)11-2-1-7-16-9-11/h1-9,18H/b13-8+
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n/an/a 24n/an/an/an/a8.025



Cairo University



Assay Description
Dilute 3 mL of assay buffer concentrate with 27 mL of HPLC - grade water. This final assay buffer (0.1 M Tris-HCl, pH 8) should be used for dilution ...


Bioorg Chem 72: 308-314 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.012
BindingDB Entry DOI: 10.7270/Q2WQ02PQ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50150735
PNG
(3-(4-Methanesulfonyl-phenyl)-6-(4-methoxy-phenyl)-...)
Show SMILES COc1ccc(cc1)-c1cc(-c2cccnc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C24H19NO5S/c1-29-19-9-5-16(6-10-19)22-14-21(18-4-3-13-25-15-18)23(24(26)30-22)17-7-11-20(12-8-17)31(2,27)28/h3-15H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine Prostaglandin G/H synthase 2


J Med Chem 47: 3972-90 (2004)


Article DOI: 10.1021/jm049939b
BindingDB Entry DOI: 10.7270/Q22F7MXX
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50143475
PNG
(4-(1-Benzhydrylidene-heptyl)-benzenesulfonic acid ...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6](=[#6](\c1ccccc1)-c1ccccc1)-c1ccc(cc1)S(=O)(=O)[#8]-[#6]
Show InChI InChI=1S/C27H30O3S/c1-3-4-5-12-17-26(22-18-20-25(21-19-22)31(28,29)30-2)27(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h6-11,13-16,18-21H,3-5,12,17H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound against prostaglandin G/H synthase 2 from ovine


Bioorg Med Chem Lett 14: 1953-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.075
BindingDB Entry DOI: 10.7270/Q24F1Q46
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50158187
PNG
(1-fluoro-4-{(E)-2-[4-(methylsulfonyl)phenyl]-2-phe...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C(=C\c1ccc(F)cc1)\c1ccccc1
Show InChI InChI=1S/C21H17FO2S/c1-25(23,24)20-13-9-18(10-14-20)21(17-5-3-2-4-6-17)15-16-7-11-19(22)12-8-16/h2-15H,1H3/b21-15+
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n/an/a 32n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against ovine Cyclooxygenase-2


Bioorg Med Chem Lett 15: 439-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.050
BindingDB Entry DOI: 10.7270/Q2GF0T0C
More data for this
Ligand-Target Pair
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