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PubMed code 21388719

Compile data set for download or QSAR
Found 54 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))
BDBM50342799
PNG
(5-Nitro-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H14N2O7/c1-24-13-7-10(8-14(25-2)15(13)26-3)18-16(20)11-5-4-9(19(22)23)6-12(11)17(18)21/h4-8H,1-3H3
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n/an/a 100n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
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 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342801
PNG
(5-Methyl-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C18H17NO5/c1-10-5-6-12-13(7-10)18(21)19(17(12)20)11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3
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n/an/a 400n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342813
PNG
(6-(3,4,5-Trimethoxyphenyl)-5H-dibenzo[c,e]azepine-...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C23H19NO5/c1-27-19-12-14(13-20(28-2)21(19)29-3)24-22(25)17-10-6-4-8-15(17)16-9-5-7-11-18(16)23(24)26/h4-13H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342811
PNG
(2-(3,4,5-Trimethoxyphenyl)-1H-benzo[de]isoquinolin...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C21H17NO5/c1-25-16-10-13(11-17(26-2)19(16)27-3)22-20(23)14-8-4-6-12-7-5-9-15(18(12)14)21(22)24/h4-11H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342812
PNG
(2-(3,4,5-Trichlorophenyl)-1H-benzo[de]isoquinoline...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H8Cl3NO2/c19-13-7-10(8-14(20)16(13)21)22-17(23)11-5-1-3-9-4-2-6-12(15(9)11)18(22)24/h1-8H
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n/an/a 1.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342814
PNG
(6-(3,4,5-Trichlorophenyl)-5H-dibenzo[c,e]azepine-5...)
Show SMILES Clc1cc(cc(Cl)c1Cl)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C20H10Cl3NO2/c21-16-9-11(10-17(22)18(16)23)24-19(25)14-7-3-1-5-12(14)13-6-2-4-8-15(13)20(24)26/h1-10H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342795
PNG
(6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-b]pyrazi...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C15H13N3O5/c1-21-9-6-8(7-10(22-2)13(9)23-3)18-14(19)11-12(15(18)20)17-5-4-16-11/h4-7H,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342797
PNG
(2-(3,4,5-Trimethoxyphenyl)isoindoline-1,3-dione | ...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO5/c1-21-13-8-10(9-14(22-2)15(13)23-3)18-16(19)11-6-4-5-7-12(11)17(18)20/h4-9H,1-3H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342798
PNG
(2-(3,4,5-Trichlorophenyl)isoindoline-1,3-dione | C...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H6Cl3NO2/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H
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n/an/a 9.10E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342803
PNG
(5-Tert-Butyl-2-(3,4,5-trimethoxyphenyl)isoindoline...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(C)(C)C
Show InChI InChI=1S/C21H23NO5/c1-21(2,3)12-7-8-14-15(9-12)20(24)22(19(14)23)13-10-16(25-4)18(27-6)17(11-13)26-5/h7-11H,1-6H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342796
PNG
(6-(3,4,5-Trichlorophenyl)-5H-pyrrolo[3,4-b]pyrazin...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H4Cl3N3O2/c13-6-3-5(4-7(14)8(6)15)18-11(19)9-10(12(18)20)17-2-1-16-9/h1-4H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342805
PNG
(5,6-Dichloro-2-(3,4,5-trimethoxyphenyl)isoindoline...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C17H13Cl2NO5/c1-23-13-4-8(5-14(24-2)15(13)25-3)20-16(21)9-6-11(18)12(19)7-10(9)17(20)22/h4-7H,1-3H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342802
PNG
(5-Methyl-2-(3,4,5-trichlorophenyl)isoindoline-1,3-...)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H8Cl3NO2/c1-7-2-3-9-10(4-7)15(21)19(14(9)20)8-5-11(16)13(18)12(17)6-8/h2-6H,1H3
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n/an/a 1.95E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342804
PNG
(5-tert-Butyl-2-(3,4,5-trichlorophenyl)isoindoline-...)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl3NO2/c1-18(2,3)9-4-5-11-12(6-9)17(24)22(16(11)23)10-7-13(19)15(21)14(20)8-10/h4-8H,1-3H3
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n/an/a 2.07E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342806
PNG
(5,6-Dichloro-2-(3,4,5-trichlorophenyl)isoindoline-...)
Show SMILES Clc1cc2C(=O)N(C(=O)c2cc1Cl)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C14H4Cl5NO2/c15-8-3-6-7(4-9(8)16)14(22)20(13(6)21)5-1-10(17)12(19)11(18)2-5/h1-4H
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n/an/a 3.01E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342800
PNG
(5-Nitro-2-(3,4,5-trichlorophenyl)isoindoline-1,3-d...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C14H5Cl3N2O4/c15-10-4-7(5-11(16)12(10)17)18-13(20)8-2-1-6(19(22)23)3-9(8)14(18)21/h1-5H
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n/an/a 3.61E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342800
PNG
(5-Nitro-2-(3,4,5-trichlorophenyl)isoindoline-1,3-d...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C14H5Cl3N2O4/c15-10-4-7(5-11(16)12(10)17)18-13(20)8-2-1-6(19(22)23)3-9(8)14(18)21/h1-5H
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n/an/a 4.00E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342792
PNG
(1-(3,4,5-trichlorophenyl)pyrrolidine-2,5-dione | C...)
Show SMILES Oc1ccc(O)n1-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl3NO2/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(14)16/h1-4,15-16H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342791
PNG
(1-(3,4,5-Trimethoxyphenyl)pyrrolidine-2,5-dione | ...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(O)ccc1O
Show InChI InChI=1S/C13H15NO5/c1-17-9-6-8(7-10(18-2)13(9)19-3)14-11(15)4-5-12(14)16/h4-7,15-16H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342799
PNG
(5-Nitro-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)[N+]([O-])=O
Show InChI InChI=1S/C17H14N2O7/c1-24-13-7-10(8-14(25-2)15(13)26-3)18-16(20)11-5-4-9(19(22)23)6-12(11)17(18)21/h4-8H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342808
PNG
(4,5,6,7-Tetrachloro-2-(3,4,5-trichlorophenyl)isoin...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H2Cl7NO2/c15-4-1-3(2-5(16)8(4)17)22-13(23)6-7(14(22)24)10(19)12(21)11(20)9(6)18/h1-2H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342807
PNG
(4,5,6,7-Tetrachloro-2-(3,4,5-trimethoxyphenyl)isoi...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C17H11Cl4NO5/c1-25-7-4-6(5-8(26-2)15(7)27-3)22-16(23)9-10(17(22)24)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342809
PNG
(4,5,6,7-Tetrabromo-2-(3,4,5-trimethoxyphenyl)isoin...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2c(C1=O)c(Br)c(Br)c(Br)c2Br
Show InChI InChI=1S/C17H11Br4NO5/c1-25-7-4-6(5-8(26-2)15(7)27-3)22-16(23)9-10(17(22)24)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
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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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342811
PNG
(2-(3,4,5-Trimethoxyphenyl)-1H-benzo[de]isoquinolin...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C21H17NO5/c1-25-16-10-13(11-17(26-2)19(16)27-3)22-20(23)14-8-4-6-12-7-5-9-15(18(12)14)21(22)24/h4-11H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342806
PNG
(5,6-Dichloro-2-(3,4,5-trichlorophenyl)isoindoline-...)
Show SMILES Clc1cc2C(=O)N(C(=O)c2cc1Cl)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C14H4Cl5NO2/c15-8-3-6-7(4-9(8)16)14(22)20(13(6)21)5-1-10(17)12(19)11(18)2-5/h1-4H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342795
PNG
(6-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[3,4-b]pyrazi...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C15H13N3O5/c1-21-9-6-8(7-10(22-2)13(9)23-3)18-14(19)11-12(15(18)20)17-5-4-16-11/h4-7H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342808
PNG
(4,5,6,7-Tetrachloro-2-(3,4,5-trichlorophenyl)isoin...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C14H2Cl7NO2/c15-4-1-3(2-5(16)8(4)17)22-13(23)6-7(14(22)24)10(19)12(21)11(20)9(6)18/h1-2H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342815
PNG
(4,5,6,7,8,8-Hexachloro-2-(3,4,5-trimethoxyphenyl)-...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(O)c2c(c1O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C18H13Cl6NO5/c1-28-7-4-6(5-8(29-2)11(7)30-3)25-14(26)9-10(15(25)27)17(22)13(20)12(19)16(9,21)18(17,23)24/h4-5,26-27H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342816
PNG
(4,5,6,7,8,8-Hexachloro-2-(3,4,5-trichlorophenyl)-3...)
Show SMILES Oc1c2c(c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C15H4Cl9NO2/c16-4-1-3(2-5(17)8(4)18)25-11(26)6-7(12(25)27)14(22)10(20)9(19)13(6,21)15(14,23)24/h1-2,26-27H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342796
PNG
(6-(3,4,5-Trichlorophenyl)-5H-pyrrolo[3,4-b]pyrazin...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2nccnc2C1=O
Show InChI InChI=1S/C12H4Cl3N3O2/c13-6-3-5(4-7(14)8(6)15)18-11(19)9-10(12(18)20)17-2-1-16-9/h1-4H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342804
PNG
(5-tert-Butyl-2-(3,4,5-trichlorophenyl)isoindoline-...)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C18H14Cl3NO2/c1-18(2,3)9-4-5-11-12(6-9)17(24)22(16(11)23)10-7-13(19)15(21)14(20)8-10/h4-8H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342809
PNG
(4,5,6,7-Tetrabromo-2-(3,4,5-trimethoxyphenyl)isoin...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2c(C1=O)c(Br)c(Br)c(Br)c2Br
Show InChI InChI=1S/C17H11Br4NO5/c1-25-7-4-6(5-8(26-2)15(7)27-3)22-16(23)9-10(17(22)24)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342814
PNG
(6-(3,4,5-Trichlorophenyl)-5H-dibenzo[c,e]azepine-5...)
Show SMILES Clc1cc(cc(Cl)c1Cl)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C20H10Cl3NO2/c21-16-9-11(10-17(22)18(16)23)24-19(25)14-7-3-1-5-12(14)13-6-2-4-8-15(13)20(24)26/h1-10H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342793
PNG
(CHEMBL1770579 | cis-2-(3,4,5-Trimethoxyphenyl)-3a,...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(O)c2CC=CCc2c1O
Show InChI InChI=1S/C17H19NO5/c1-21-13-8-10(9-14(22-2)15(13)23-3)18-16(19)11-6-4-5-7-12(11)17(18)20/h4-5,8-9,19-20H,6-7H2,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342815
PNG
(4,5,6,7,8,8-Hexachloro-2-(3,4,5-trimethoxyphenyl)-...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(O)c2c(c1O)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C18H13Cl6NO5/c1-28-7-4-6(5-8(29-2)11(7)30-3)25-14(26)9-10(15(25)27)17(22)13(20)12(19)16(9,21)18(17,23)24/h4-5,26-27H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342792
PNG
(1-(3,4,5-trichlorophenyl)pyrrolidine-2,5-dione | C...)
Show SMILES Oc1ccc(O)n1-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C10H6Cl3NO2/c11-6-3-5(4-7(12)10(6)13)14-8(15)1-2-9(14)16/h1-4,15-16H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342801
PNG
(5-Methyl-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(C)cc2C1=O
Show InChI InChI=1S/C18H17NO5/c1-10-5-6-12-13(7-10)18(21)19(17(12)20)11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342813
PNG
(6-(3,4,5-Trimethoxyphenyl)-5H-dibenzo[c,e]azepine-...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(=O)c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C23H19NO5/c1-27-19-12-14(13-20(28-2)21(19)29-3)24-22(25)17-10-6-4-8-15(17)16-9-5-7-11-18(16)23(24)26/h4-13H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342812
PNG
(2-(3,4,5-Trichlorophenyl)-1H-benzo[de]isoquinoline...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2cccc3cccc(C1=O)c23
Show InChI InChI=1S/C18H8Cl3NO2/c19-13-7-10(8-14(20)16(13)21)22-17(23)11-5-1-3-9-4-2-6-12(15(9)11)18(22)24/h1-8H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342802
PNG
(5-Methyl-2-(3,4,5-trichlorophenyl)isoindoline-1,3-...)
Show SMILES Cc1ccc2C(=O)N(C(=O)c2c1)c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C15H8Cl3NO2/c1-7-2-3-9-10(4-7)15(21)19(14(9)20)8-5-11(16)13(18)12(17)6-8/h2-6H,1H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342816
PNG
(4,5,6,7,8,8-Hexachloro-2-(3,4,5-trichlorophenyl)-3...)
Show SMILES Oc1c2c(c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl
Show InChI InChI=1S/C15H4Cl9NO2/c16-4-1-3(2-5(17)8(4)18)25-11(26)6-7(12(25)27)14(22)10(20)9(19)13(6,21)15(14,23)24/h1-2,26-27H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342810
PNG
(4,5,6,7-Tetrabromo-2-(3,4,5-trichlorophenyl)isoind...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2c(C1=O)c(Br)c(Br)c(Br)c2Br
Show InChI InChI=1S/C14H2Br4Cl3NO2/c15-8-6-7(9(16)11(18)10(8)17)14(24)22(13(6)23)3-1-4(19)12(21)5(20)2-3/h1-2H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342805
PNG
(5,6-Dichloro-2-(3,4,5-trimethoxyphenyl)isoindoline...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C17H13Cl2NO5/c1-23-13-4-8(5-14(24-2)15(13)25-3)20-16(21)9-6-11(18)12(19)7-10(9)17(20)22/h4-7H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342803
PNG
(5-Tert-Butyl-2-(3,4,5-trimethoxyphenyl)isoindoline...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccc(cc2C1=O)C(C)(C)C
Show InChI InChI=1S/C21H23NO5/c1-21(2,3)12-7-8-14-15(9-12)20(24)22(19(14)23)13-10-16(25-4)18(27-6)17(11-13)26-5/h7-11H,1-6H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342791
PNG
(1-(3,4,5-Trimethoxyphenyl)pyrrolidine-2,5-dione | ...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(O)ccc1O
Show InChI InChI=1S/C13H15NO5/c1-17-9-6-8(7-10(18-2)13(9)19-3)14-11(15)4-5-12(14)16/h4-7,15-16H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50342794
PNG
(CHEMBL1770580 | cis-2-(3,4,5-Trichlorophenyl)-3a,4...)
Show SMILES Oc1c2CC=CCc2c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl3NO2/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-2,5-6,19-20H,3-4H2
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342810
PNG
(4,5,6,7-Tetrabromo-2-(3,4,5-trichlorophenyl)isoind...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2c(C1=O)c(Br)c(Br)c(Br)c2Br
Show InChI InChI=1S/C14H2Br4Cl3NO2/c15-8-6-7(9(16)11(18)10(8)17)14(24)22(13(6)23)3-1-4(19)12(21)5(20)2-3/h1-2H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342807
PNG
(4,5,6,7-Tetrachloro-2-(3,4,5-trimethoxyphenyl)isoi...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2c(C1=O)c(Cl)c(Cl)c(Cl)c2Cl
Show InChI InChI=1S/C17H11Cl4NO5/c1-25-7-4-6(5-8(26-2)15(7)27-3)22-16(23)9-10(17(22)24)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342798
PNG
(2-(3,4,5-Trichlorophenyl)isoindoline-1,3-dione | C...)
Show SMILES Clc1cc(cc(Cl)c1Cl)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H6Cl3NO2/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-6H
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342793
PNG
(CHEMBL1770579 | cis-2-(3,4,5-Trimethoxyphenyl)-3a,...)
Show SMILES COc1cc(cc(OC)c1OC)-n1c(O)c2CC=CCc2c1O
Show InChI InChI=1S/C17H19NO5/c1-21-13-8-10(9-14(22-2)15(13)23-3)18-16(19)11-6-4-5-7-12(11)17(18)20/h4-5,8-9,19-20H,6-7H2,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342794
PNG
(CHEMBL1770580 | cis-2-(3,4,5-Trichlorophenyl)-3a,4...)
Show SMILES Oc1c2CC=CCc2c(O)n1-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C14H10Cl3NO2/c15-10-5-7(6-11(16)12(10)17)18-13(19)8-3-1-2-4-9(8)14(18)20/h1-2,5-6,19-20H,3-4H2
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50342797
PNG
(2-(3,4,5-Trimethoxyphenyl)isoindoline-1,3-dione | ...)
Show SMILES COc1cc(cc(OC)c1OC)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H15NO5/c1-21-13-8-10(9-14(22-2)15(13)23-3)18-16(19)11-6-4-5-7-12(11)17(18)20/h4-9H,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 after 5 mins by enzyme immunoassay


Eur J Med Chem 46: 1648-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.013
BindingDB Entry DOI: 10.7270/Q29P31ZD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%