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PubMed code 26999325

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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
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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n/an/a 300n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161267
PNG
(CHEMBL3785126)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N4O5S/c25-34(32,33)20-13-11-19(12-14-20)26-21(29)15-16-28-22(30)24(27-23(28)31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
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n/an/a 410n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161263
PNG
(CHEMBL3786373)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N4O5S/c25-34(32,33)20-13-11-17(12-14-20)15-26-21(29)16-28-22(30)24(27-23(28)31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
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n/an/a 440n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161264
PNG
(CHEMBL3786688)
Show SMILES COc1cc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-34-21-14-18(15-22(35-2)24(21)36-3)16-28-23(31)17-30-25(32)27(29-26(30)33,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)
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n/an/a 610n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161259
PNG
(CHEMBL3785358)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O5S/c24-33(31,32)19-13-11-18(12-14-19)25-20(28)15-27-21(29)23(26-22(27)30,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,28)(H,26,30)(H2,24,31,32)
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n/an/a 700n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161266
PNG
(CHEMBL3786019)
Show SMILES COc1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4/c1-32-21-14-12-20(13-15-21)26-22(29)16-17-28-23(30)25(27-24(28)31,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,26,29)(H,27,31)
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n/an/a 990n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161261
PNG
(CHEMBL2139982)
Show SMILES COc1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4/c1-32-21-14-12-18(13-15-21)16-26-22(29)17-28-23(30)25(27-24(28)31,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,29)(H,27,31)
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n/an/a 1.30E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161270
PNG
(CHEMBL3786565)
Show SMILES COc1ccc(CNC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4/c1-33-22-14-12-19(13-15-22)18-27-23(30)16-17-29-24(31)26(28-25(29)32,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,27,30)(H,28,32)
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n/an/a 1.32E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161258
PNG
(CHEMBL1301905)
Show SMILES COc1ccc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4/c1-31-20-14-12-19(13-15-20)25-21(28)16-27-22(29)24(26-23(27)30,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,28)(H,26,30)
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n/an/a 6.54E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161260
PNG
(CHEMBL1702044)
Show SMILES Fc1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H20FN3O3/c25-20-13-11-17(12-14-20)15-26-21(29)16-28-22(30)24(27-23(28)31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,31)
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n/an/a 7.21E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161269
PNG
(CHEMBL3787062)
Show SMILES Fc1ccc(CNC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H22FN3O3/c26-21-13-11-18(12-14-21)17-27-22(30)15-16-29-23(31)25(28-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,27,30)(H,28,32)
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n/an/a 1.08E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161265
PNG
(CHEMBL3785255)
Show SMILES Fc1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H20FN3O3/c25-19-11-13-20(14-12-19)26-21(29)15-16-28-22(30)24(27-23(28)31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,29)(H,27,31)
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n/an/a 1.08E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161257
PNG
(CHEMBL3786872)
Show SMILES Fc1ccc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H18FN3O3/c24-18-11-13-19(14-12-18)25-20(28)15-27-21(29)23(26-22(27)30,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,28)(H,26,30)
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n/an/a 1.48E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161274
PNG
(CHEMBL3785696)
Show SMILES COc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2O4/c1-30-20-14-12-17(13-15-20)21(27)16-26-22(28)24(25-23(26)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,25,29)
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n/an/a 2.50E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50161271
PNG
(CHEMBL3785540)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O3/c24-19-13-11-16(12-14-19)20(27)15-26-21(28)23(25-22(26)29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,25,29)
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n/an/a 2.52E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as reduction in PGH2-dervied PGF2alpha production preincubated for 5 mins followed by addition of arachidonic acid ...


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161271
PNG
(CHEMBL3785540)
Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H17FN2O3/c24-19-13-11-16(12-14-19)20(27)15-26-21(28)23(25-22(26)29,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15H2,(H,25,29)
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n/an/a 7.05E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161274
PNG
(CHEMBL3785696)
Show SMILES COc1ccc(cc1)C(=O)CN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20N2O4/c1-30-20-14-12-17(13-15-20)21(27)16-26-22(28)24(25-23(26)29,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H,25,29)
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n/an/a 7.05E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161265
PNG
(CHEMBL3785255)
Show SMILES Fc1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H20FN3O3/c25-19-11-13-20(14-12-19)26-21(29)15-16-28-22(30)24(27-23(28)31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,29)(H,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
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>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161266
PNG
(CHEMBL3786019)
Show SMILES COc1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4/c1-32-21-14-12-20(13-15-21)26-22(29)16-17-28-23(30)25(27-24(28)31,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16-17H2,1H3,(H,26,29)(H,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161257
PNG
(CHEMBL3786872)
Show SMILES Fc1ccc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H18FN3O3/c24-18-11-13-19(14-12-18)25-20(28)15-27-21(29)23(26-22(27)30,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,28)(H,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161264
PNG
(CHEMBL3786688)
Show SMILES COc1cc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C27H27N3O6/c1-34-21-14-18(15-22(35-2)24(21)36-3)16-28-23(31)17-30-25(32)27(29-26(30)33,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,16-17H2,1-3H3,(H,28,31)(H,29,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161261
PNG
(CHEMBL2139982)
Show SMILES COc1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O4/c1-32-21-14-12-18(13-15-21)16-26-22(29)17-28-23(30)25(27-24(28)31,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,29)(H,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161267
PNG
(CHEMBL3785126)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N4O5S/c25-34(32,33)20-13-11-19(12-14-20)26-21(29)15-16-28-22(30)24(27-23(28)31,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14H,15-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161259
PNG
(CHEMBL3785358)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C23H20N4O5S/c24-33(31,32)19-13-11-18(12-14-19)25-20(28)15-27-21(29)23(26-22(27)30,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,28)(H,26,30)(H2,24,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161269
PNG
(CHEMBL3787062)
Show SMILES Fc1ccc(CNC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H22FN3O3/c26-21-13-11-18(12-14-21)17-27-22(30)15-16-29-23(31)25(28-24(29)32,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14H,15-17H2,(H,27,30)(H,28,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161270
PNG
(CHEMBL3786565)
Show SMILES COc1ccc(CNC(=O)CCN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H25N3O4/c1-33-22-14-12-19(13-15-22)18-27-23(30)16-17-29-24(31)26(28-25(29)32,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15H,16-18H2,1H3,(H,27,30)(H,28,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161258
PNG
(CHEMBL1301905)
Show SMILES COc1ccc(NC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H21N3O4/c1-31-20-14-12-19(13-15-20)25-21(28)16-27-22(29)24(26-23(27)30,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,25,28)(H,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161260
PNG
(CHEMBL1702044)
Show SMILES Fc1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H20FN3O3/c25-20-13-11-17(12-14-20)15-26-21(29)16-28-22(30)24(27-23(28)31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50161263
PNG
(CHEMBL3786373)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)CN2C(=O)NC(C2=O)(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C24H22N4O5S/c25-34(32,33)20-13-11-17(12-14-20)15-26-21(29)16-28-22(30)24(27-23(28)31,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,31)(H2,25,32,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 preincubated for 5 mins followed by addition of arachidonic acid as substrate measured after 2 mins by enzyme immunoassay


Eur J Med Chem 115: 121-31 (2016)


Article DOI: 10.1016/j.ejmech.2016.03.011
BindingDB Entry DOI: 10.7270/Q22N545K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%