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Found 971 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase (cyclooxygenase)' AND taxid = 10090   
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
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
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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820n/an/an/an/an/an/an/an/a



Vanderbilt Institute for Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 pre-incubated before addition of [1-14C]arachidonic acid


J Biol Chem 282: 16379-90 (2007)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50293280
PNG
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
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n/an/a 0.140n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50293282
PNG
(CHEMBL504535 | Imrecoxib)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
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n/an/a 0.180n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
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 0.510n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced COX2 activity in C57BL/6J mouse peritoneal macrophages by RIA


J Nat Prod 69: 1591-5 (2006)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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n/an/a 0.601n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094542
PNG
(1,3-Diphenyl-2,4,5,6-tetrahydro-cyclopenta[c]pyrro...)
Show SMILES C1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19(20-18)15-10-5-2-6-11-15/h1-6,8-11,20H,7,12-13H2
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n/an/a 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

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


(Mus musculus)
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 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094542
PNG
(1,3-Diphenyl-2,4,5,6-tetrahydro-cyclopenta[c]pyrro...)
Show SMILES C1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19(20-18)15-10-5-2-6-11-15/h1-6,8-11,20H,7,12-13H2
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n/an/a 0.701n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

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


(Mus musculus)
BDBM50293280
PNG
(3-(4-(hydroxymethyl)phenyl)-4-(4-(methylsulfonyl)p...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(CO)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO4S/c1-3-12-22-13-19(16-8-10-18(11-9-16)27(2,25)26)20(21(22)24)17-6-4-15(14-23)5-7-17/h4-11,23H,3,12-14H2,1-2H3
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n/an/a 0.870n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

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


(Mus musculus)
BDBM85515
PNG
(Ampyrone | CAS_83-07-8 | NSC_2151)
Show SMILES Cc1c(N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of COX-1 in C57BL/6 mouse brain homogenate


Bioorg Med Chem 20: 101-7 (2011)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM85515
PNG
(Ampyrone | CAS_83-07-8 | NSC_2151)
Show SMILES Cc1c(N)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Philipps-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in C57BL/6 mouse brain homogenate


Bioorg Med Chem 20: 101-7 (2011)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 1.10n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

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


(Mus musculus)
BDBM50293282
PNG
(CHEMBL504535 | Imrecoxib)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(C)cc1)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3
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n/an/a 1.20n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX1 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094540
PNG
(1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole | CHE...)
Show SMILES C1CCc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094540
PNG
(1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole | CHE...)
Show SMILES C1CCc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
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n/an/a 1.5n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094546
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...)
Show SMILES C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2
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n/an/a 1.60n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094546
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...)
Show SMILES C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H21N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2
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n/an/a 1.60n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094563
PNG
(1,3-Di-p-tolyl-4,5,6,7-tetrahydro-2H-isoindole | 1...)
Show SMILES Cc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(C)cc1
Show InChI InChI=1S/C22H23N/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(23-21)18-13-9-16(2)10-14-18/h7-14,23H,3-6H2,1-2H3
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n/an/a 1.67n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094534
PNG
(1,3-Bis-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 1.70n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094534
PNG
(1,3-Bis-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094532
PNG
(1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-ylamine...)
Show SMILES Nn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2
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n/an/a 1.80n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094532
PNG
(1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-ylamine...)
Show SMILES Nn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2
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n/an/a 1.80n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

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


(Mus musculus)
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 2n/an/an/an/an/an/a



Università "La Sapienza"

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Prostaglandin G/H synthase 1 in murine J774 cells


J Med Chem 48: 3428-32 (2005)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173287
PNG
(4-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-yl]-ben...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-15(11-4-8-14(9-5-11)23(18,20)21)16(19-22-10)12-2-6-13(17)7-3-12/h2-9H,1H3,(H2,18,20,21)
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n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173288
PNG
(4-(5-Fluoromethyl-3-phenyl-isoxazol-4-yl)-benzenes...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CF)onc1-c1ccccc1
Show InChI InChI=1S/C16H13FN2O3S/c17-10-14-15(11-6-8-13(9-7-11)23(18,20)21)16(19-22-14)12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,20,21)
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n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173289
PNG
(2-Fluoro-4-(5-methyl-3-phenyl-isoxazol-4-yl)-benze...)
Show SMILES Cc1onc(c1-c1ccc(c(F)c1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H13FN2O3S/c1-10-15(16(19-22-10)11-5-3-2-4-6-11)12-7-8-14(13(17)9-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
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David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50173290
PNG
(4-[5-(2-Fluoro-ethyl)-3-phenyl-isoxazol-4-yl]-benz...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(CCF)onc1-c1ccccc1
Show InChI InChI=1S/C17H15FN2O3S/c18-11-10-15-16(12-6-8-14(9-7-12)24(19,21)22)17(20-23-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,19,21,22)
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n/an/a 2n/an/an/an/an/an/a



David Geffen School of Medicine at University of California

Curated by ChEMBL


Assay Description
Tested for prostaglandin E2 production as a function of COX-2 inhibition using endotoxin-treated murine RAW 264.7 macrophages


Bioorg Med Chem Lett 15: 4699-702 (2005)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50361590
PNG
(CHEMBL1939677)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H26N2O8S/c1-17-19(16-24(27)33-13-4-14-34-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(32-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3
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n/an/a 2.40n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094558
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]deca-2,5-...)
Show SMILES C1CC2CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(22-20)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2
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n/an/a 2.60n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094558
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]deca-2,5-...)
Show SMILES C1CC2CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(22-20)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2
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n/an/a 2.60n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094548
PNG
(1,3-Bis-(4-fluoro-phenyl)-2,4,5,6-tetrahydro-cyclo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N/c20-14-8-4-12(5-9-14)18-16-2-1-3-17(16)19(22-18)13-6-10-15(21)11-7-13/h4-11,22H,1-3H2
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n/an/a 2.90n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094548
PNG
(1,3-Bis-(4-fluoro-phenyl)-2,4,5,6-tetrahydro-cyclo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N/c20-14-8-4-12(5-9-14)18-16-2-1-3-17(16)19(22-18)13-6-10-15(21)11-7-13/h4-11,22H,1-3H2
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n/an/a 2.90n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50001935
PNG
(CHEMBL3233601)
Show SMILES COc1ccc(cc1)C1=C(C(=O)N(C)C1=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H16N2O5S/c1-20-17(21)15(11-3-7-13(25-2)8-4-11)16(18(20)22)12-5-9-14(10-6-12)26(19,23)24/h3-10H,1-2H3,(H2,19,23,24)
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n/an/a 3.10n/an/an/an/an/an/a



Kyung Hee University

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse RAW264.7 cells assessed as decrease in LPS-induced PGE2 production treated prior to LPS challenge by enzyme immunoassay


Bioorg Med Chem Lett 24: 1958-62 (2014)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094528
PNG
(5,6-Dimethyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-is...)
Show SMILES CC1Cc2c(CC1C)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,15-16,23H,13-14H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094528
PNG
(5,6-Dimethyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-is...)
Show SMILES CC1Cc2c(CC1C)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,15-16,23H,13-14H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094535
PNG
(1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...)
Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-12,21H,13-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094535
PNG
(1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...)
Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-12,21H,13-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057618
PNG
(4-[5-(3-Methyl-4-methylsulfanyl-phenyl)-3-trifluor...)
Show SMILES CSc1ccc(cc1C)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F3N3O2S2/c1-11-9-12(3-8-16(11)27-2)15-10-17(18(19,20)21)23-24(15)13-4-6-14(7-5-13)28(22,25)26/h3-10H,1-2H3,(H2,22,25,26)
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n/an/a 3.72n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50293281
PNG
(4-(4-(4-(methylsulfonyl)phenyl)-2-oxo-1-propyl-2,5...)
Show SMILES CCCN1CC(=C(C1=O)c1ccc(cc1)C(O)=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO5S/c1-3-12-22-13-18(14-8-10-17(11-9-14)28(2,26)27)19(20(22)23)15-4-6-16(7-5-15)21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)
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n/an/a 4.10n/an/an/an/an/an/a



Chinese Academy of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of COX2 in mouse peritoneal macrophages


Bioorg Med Chem Lett 19: 2270-2 (2009)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094561
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CC(C=C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H15F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h1-10,14-15,24H,11H2
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n/an/a 4.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094561
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CC(C=C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H15F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h1-10,14-15,24H,11H2
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n/an/a 4.51n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094541
PNG
(1,3-Bis-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17Cl2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094541
PNG
(1,3-Bis-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17Cl2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 5n/an/an/an/an/an/a



Dr HS Gour University

Curated by ChEMBL


Assay Description
Inhibition of mouse macrophage COX2


Eur J Med Chem 43: 1559-69 (2008)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057606
PNG
(4-[4-Chloro-5-(4-chloro-phenyl)-3-trifluoromethyl-...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(c(Cl)c1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C16H10Cl2F3N3O2S/c17-10-3-1-9(2-4-10)14-13(18)15(16(19,20)21)23-24(14)11-5-7-12(8-6-11)27(22,25)26/h1-8H,(H2,22,25,26)
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50057575
PNG
(4-[5-(4-Dimethylamino-3-fluoro-phenyl)-3-trifluoro...)
Show SMILES CN(C)c1ccc(cc1F)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H16F4N4O2S/c1-25(2)15-8-3-11(9-14(15)19)16-10-17(18(20,21)22)24-26(16)12-4-6-13(7-5-12)29(23,27)28/h3-10H,1-2H3,(H2,23,27,28)
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n/an/a 5.75n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibitory activity against prostaglandin G/H synthase 2 (COX-2)


J Med Chem 45: 4816-27 (2002)

More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
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 6.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value against Prostaglandin G/H synthase 2 of murine J774A.1 cell line


J Med Chem 42: 1161-9 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
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 6.40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
IC50 value was determined against Prostaglandin G/H synthase 2 of J7744A.1 cell lines.


J Med Chem 42: 1151-60 (1999)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50142932
PNG
(CHEMBL3759842)
Show SMILES Cc1c(CCOCCCF)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H25F2NO3S/c1-17-19(12-15-29-14-3-13-24)16-23(26(17)21-8-6-20(25)7-9-21)18-4-10-22(11-5-18)30(2,27)28/h4-11,16H,3,12-15H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of COX-2 in mouse J774 cells assessed as reduction in LPS-induced PGE2 level incubated for 24 hrs by radio immunoassay


Eur J Med Chem 109: 99-106 (2016)

More data for this
Ligand-Target Pair
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