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Compile Data Set for Download or QSAR

Found 3162 hits Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-1 (COX-1)' AND taxid = 9940   
Target
(Institution)
LigandTarget
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
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074933
PNG
(2-biphenyl-4-yl-propionic acid | CHEMBL317434 | al...)
Show SMILES CC(C(O)=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
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130n/an/an/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated


Bioorg Med Chem Lett 14: 667-71 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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490n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198173
PNG
(2-((5-(4-Nitrophenylamino)-1,3,4-oxadiazol-2-yl)me...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C24H17N7O4/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)
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500n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198172
PNG
(2-((5-(4-Chlorophenylamino)-1,3,4-oxadiazol-2-yl)m...)
Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C24H17ClN6O2/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)
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630n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198171
PNG
(2-((5-(4-Methoxyphenylamino)-1,3,4-oxadiazol-2-yl)...)
Show SMILES COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)cc1
Show InChI InChI=1S/C25H20N6O3/c1-33-20-14-12-19(13-15-20)26-24-29-28-21(34-24)16-31-25(32)27-22(17-8-4-2-5-9-17)23(30-31)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)
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650n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198174
PNG
(2-((5-(4-Methoxyphenylamino)-1,3,4-thiadiazol-2-yl...)
Show SMILES COc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C25H20N6O2S/c1-33-20-14-12-19(13-15-20)26-24-29-28-21(34-24)16-31-25(32)27-22(17-8-4-2-5-9-17)23(30-31)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)
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770n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198176
PNG
(2-((5-(4-Nitrophenylamino)-1,3,4-thiadiazol-2-yl)m...)
Show SMILES [O-][N+](=O)c1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C24H17N7O3S/c32-24-26-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)29-30(24)15-20-27-28-23(35-20)25-18-11-13-19(14-12-18)31(33)34/h1-14H,15H2,(H,25,28)
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880n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM198175
PNG
(2-((5-(4-Chlorophenylamino)-1,3,4-thiadiazol-2-yl)...)
Show SMILES Clc1ccc(Nc2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)s2)cc1
Show InChI InChI=1S/C24H17ClN6OS/c25-18-11-13-19(14-12-18)26-23-29-28-20(33-23)15-31-24(32)27-21(16-7-3-1-4-8-16)22(30-31)17-9-5-2-6-10-17/h1-14H,15H2,(H,26,29)
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960n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)



Assay Description
The enzyme kinetics were determined, wherein the arachidonic acid substrate either in the absence or presence of selected derivatives were evaluated ...


Bioorg Chem 69: 102-120 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50074922
PNG
((+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid |...)
Show SMILES CC(C(O)=O)c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C15H13FO2/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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1.00E+3n/an/an/an/an/an/an/an/a



Drexel University College of Medicine

Curated by ChEMBL


Assay Description
Binding affinity of compound towards prostaglandin G/H synthase 1 was evaluated


Bioorg Med Chem Lett 14: 667-71 (2004)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50375607
PNG
(CHEMBL259218)
Show SMILES Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1
Show InChI InChI=1S/C15H13Cl2NO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)
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2.30E+3n/an/an/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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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7.90E+3n/an/an/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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9.00E+3n/an/an/an/an/an/an/an/a



Faculdade de Ci�ncias e Tecnologia-UNL

Curated by ChEMBL


Assay Description
Inhibition of sheep placental cotyledons COX1


J Med Chem 54: 8555-62 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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9.00E+3n/an/an/an/an/an/an/an/a



Faculdade de Ci�ncias e Tecnologia-UNL

Curated by ChEMBL


Assay Description
Inhibition of sheep placental cotyledons COX2


J Med Chem 54: 8555-62 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-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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9.86E+3n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM86694
PNG
(N'-(3-Chloro-4-morpholinophenyl)-N-hydroxyform...)
Show SMILES ONC=Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C11H14ClN3O2/c12-10-7-9(13-8-14-16)1-2-11(10)15-3-5-17-6-4-15/h1-2,7-8,16H,3-6H2,(H,13,14)
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>1.00E+4n/an/an/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 77-85 (2005)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50114413
PNG
(CHEMBL3608346)
Show SMILES Oc1ccc(-c2nnc(Cn3nc(-c4ccccc4)c(nc3=O)-c3ccccc3)o2)c(O)c1
Show InChI InChI=1S/C24H17N5O4/c30-17-11-12-18(19(31)13-17)23-27-26-20(33-23)14-29-24(32)25-21(15-7-3-1-4-8-15)22(28-29)16-9-5-2-6-10-16/h1-13,30-31H,14H2
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1.45E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50114414
PNG
(CHEMBL3608347)
Show SMILES Nc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H18N6O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15,25H2
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1.46E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50114415
PNG
(CHEMBL3608348)
Show SMILES Clc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16ClN5O2/c25-19-13-11-18(12-14-19)23-28-27-20(32-23)15-30-24(31)26-21(16-7-3-1-4-8-16)22(29-30)17-9-5-2-6-10-17/h1-14H,15H2
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1.47E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50114416
PNG
(CHEMBL3608351)
Show SMILES COc1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C25H19N5O3/c1-32-20-14-12-19(13-15-20)24-28-27-21(33-24)16-30-25(31)26-22(17-8-4-2-5-9-17)23(29-30)18-10-6-3-7-11-18/h2-15H,16H2,1H3
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1.48E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50114417
PNG
(CHEMBL3608353)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(Cn2nc(-c3ccccc3)c(nc2=O)-c2ccccc2)o1
Show InChI InChI=1S/C24H16N6O4/c31-24-25-21(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)28-29(24)15-20-26-27-23(34-20)18-11-13-19(14-12-18)30(32)33/h1-14H,15H2
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1.48E+4n/an/an/an/an/an/an/an/a



Indian Institute of Technology (Banaras Hindu University)

Curated by ChEMBL


Assay Description
Competitive inhibition of ovine COX2 using arachidonic acid substrate by Ellman's spectrophotometric assay based Lineweaver-Burk double reciprocal pl...


Eur J Med Chem 101: 81-95 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50153360
PNG
(CHEMBL3774784)
Show SMILES CCCCCCNC(=O)Oc1cccc(c1)-c1ccc(cc1F)[C@H](C)C(O)=O
Show InChI InChI=1/C22H26FNO4/c1-3-4-5-6-12-24-22(27)28-18-9-7-8-17(13-18)19-11-10-16(14-20(19)23)15(2)21(25)26/h7-11,13-15H,3-6,12H2,1-2H3,(H,24,27)(H,25,26)/t15-/s2
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n/an/a 0.290n/an/an/an/an/an/a



Fondazione Istituto Italiano di Tecnologia

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as production of PGF2-alpha preincubated with compound followed by the addition of 5 uM arachidonic acid as substra...


Eur J Med Chem 109: 216-37 (2016)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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 0.700n/an/an/an/an/an/a



Anadolu University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid substrate incubated for 5 mins by colorimetry


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

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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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n/an/a 0.900n/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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269235
PNG
(12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 1...)
Show SMILES CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C29H43NO8/c1-14(2)21(30(8)9)25(34)37-24-16(4)28(36)19(22-26(6,7)29(22,24)38-17(5)32)11-18(13-31)12-27(35)20(28)10-15(3)23(27)33/h10-11,14,16,19-22,24,31,35-36H,12-13H2,1-9H3/t16-,19+,20-,21-,22?,24-,27+,28-,29-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Nat Prod 69: 887-90 (2006)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269236
PNG
(3 beta-O-acetyloleanolic acid | CHEMBL503071)
Show SMILES COC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
Show InChI InChI=1S/C32H50O4/c1-27(2)15-17-32(26(34)35)18-16-30(6)20(22(32)19-27)9-10-24-29(5)13-11-21(25(33)36-8)28(3,4)23(29)12-14-31(24,30)7/h9,21-24H,10-19H2,1-8H3,(H,34,35)/t21-,22+,23+,24-,29+,30-,31-,32+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Nat Prod 69: 887-90 (2006)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50269230
PNG
(12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]-4-deoxyp...)
Show SMILES CC(C)[C@@H](N(C)C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
Show InChI InChI=1S/C29H43NO7/c1-14(2)22(30(8)9)26(34)36-25-16(4)28(35)20-10-15(3)23(33)19(20)11-18(13-31)12-21(28)24-27(6,7)29(24,25)37-17(5)32/h10,12,14,16,19-22,24-25,31,35H,11,13H2,1-9H3/t16-,19-,20-,21+,22-,24?,25-,28+,29-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


J Nat Prod 69: 887-90 (2006)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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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n/an/a 1.11n/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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50376383
PNG
(CHEMBL259972)
Show SMILES COc1ccc(cc1)-c1noc(CC(O)=O)c1-c1ccc(OC)cc1
Show InChI InChI=1S/C19H17NO5/c1-23-14-7-3-12(4-8-14)18-16(11-17(21)22)25-20-19(18)13-5-9-15(24-2)10-6-13/h3-10H,11H2,1-2H3,(H,21,22)
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ degli Studi di Bari"A.Moro"

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as inhibition of PGH2 production using arachidonic acid as substrate by TMPD oxidation based colorimetric assay


Eur J Med Chem 94: 252-64 (2015)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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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n/an/a 1.72n/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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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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n/an/a 1.82n/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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 3.70n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 16: 4483-7 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50189988
PNG
(CHEMBL214101 | Rofecoxib analogue)
Show SMILES O=C1OCC(=C1c1ccccc1)c1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C17H12N4O2/c22-17-15(12-4-2-1-3-5-12)14(10-23-17)11-6-8-13(9-7-11)16-18-20-21-19-16/h1-9H,10H2,(H,18,19,20,21)
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n/an/a 3.80n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 16: 4483-7 (2006)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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 4n/an/an/an/an/an/a



Gazi University

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by enzyme immunoassay


Bioorg Med Chem 18: 6367-76 (2010)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50189989
PNG
(4-(4-methylphenyl)-1-[4-(5-tetrazolyl)phenyl]-3-(t...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)-c1nnn[nH]1)C(F)(F)F
Show InChI InChI=1S/C18H13F3N6/c1-11-2-4-12(5-3-11)15-10-16(18(19,20)21)24-27(15)14-8-6-13(7-9-14)17-22-25-26-23-17/h2-10H,1H3,(H,22,23,25,26)
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n/an/a 4.10n/an/an/an/an/an/a



Tehran University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1


Bioorg Med Chem Lett 16: 4483-7 (2006)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50044262
PNG
(CHEMBL3314084)
Show SMILES Clc1cccc(Cl)c1N1C(=O)\C(=C\c2coc3ccccc3c2=O)c2ccccc12
Show InChI InChI=1S/C24H13Cl2NO3/c25-18-8-5-9-19(26)22(18)27-20-10-3-1-6-15(20)17(24(27)29)12-14-13-30-21-11-4-2-7-16(21)23(14)28/h1-13H/b17-12+
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n/an/a 4.70n/an/an/an/an/an/a



Guru Nanak Dev University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1 assessed as decrease in prostaglandin production using arachidonic acid as substrate incubated with enzyme for 10 mins prio...


Eur J Med Chem 77: 185-92 (2014)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-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
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)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(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 6n/an/an/an/an/an/a



ZAFES/LiFF/Goethe University Frankfurt

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins


J Med Chem 53: 4691-700 (2010)

More data for this
Ligand-Target Pair
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