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Compile Data Set for Download or QSAR

Found 197 hits with Last Name = 'abdel-aziz' and Initial = 'ni'   
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 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 160n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50070486
PNG
(CHEMBL3408781)
Show SMILES COc1cc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc(OC)c1OC
Show InChI InChI=1S/C18H16N2O7/c1-25-14-6-10(7-15(26-2)16(14)27-3)9-19-17(21)12-5-4-11(20(23)24)8-13(12)18(19)22/h4-8H,9H2,1-3H3
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King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 220n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50070485
PNG
(CHEMBL3408782)
Show SMILES COc1ccc(CN2C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H12N2O5/c1-23-12-5-2-10(3-6-12)9-17-15(19)13-7-4-11(18(21)22)8-14(13)16(17)20/h2-8H,9H2,1H3
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n/an/a 240n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 250n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
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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n/an/a 260n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382212
PNG
(CHEMBL2024229)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C25H13ClF9N3/c26-17-8-6-14(7-9-17)21-20(22(25(33,34)35)37-38(21)19-4-2-1-3-5-19)13-36-18-11-15(23(27,28)29)10-16(12-18)24(30,31)32/h1-13H/b36-13+
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n/an/a 260n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
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 280n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50070483
PNG
(CHEMBL3408784)
Show SMILES COc1cc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C18H15Cl2NO5/c1-24-14-4-9(5-15(25-2)16(14)26-3)8-21-17(22)10-6-12(19)13(20)7-11(10)18(21)23/h4-7H,8H2,1-3H3
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n/an/a 280n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382206
PNG
(CHEMBL2024222)
Show SMILES COc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C19H14ClF3N2O2/c1-26-15-8-3-11(10-16(15)27-2)9-14-17(12-4-6-13(20)7-5-12)24-25-18(14)19(21,22)23/h3-10H,1-2H3/b14-9+
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n/an/a 290n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
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 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))
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



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
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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n/an/a 300n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-2 using arachidonic acid as substrate assessed as production of PGH2-alpha preincubated for 5 mins followed by addition of su...


Bioorg Med Chem 24: 2032-42 (2016)


Article DOI: 10.1016/j.bmc.2016.03.032
BindingDB Entry DOI: 10.7270/Q2XK8HFX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50070482
PNG
(CHEMBL3408785)
Show SMILES COc1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C16H11Cl2NO3/c1-22-10-4-2-9(3-5-10)8-19-15(20)11-6-13(17)14(18)7-12(11)16(19)21/h2-7H,8H2,1H3
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n/an/a 360n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382211
PNG
(CHEMBL2024228)
Show SMILES [O-][N+](=O)c1ccc(cc1)\N=C\c1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C23H14ClF3N4O2/c24-16-8-6-15(7-9-16)21-20(14-28-17-10-12-19(13-11-17)31(32)33)22(23(25,26)27)29-30(21)18-4-2-1-3-5-18/h1-14H/b28-14+
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n/an/a 410n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
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))
BDBM50382207
PNG
(CHEMBL2024223)
Show SMILES [O-][N+](=O)c1cccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H9ClF3N3O2/c18-12-6-4-11(5-7-12)15-14(16(23-22-15)17(19,20)21)9-10-2-1-3-13(8-10)24(25)26/h1-9H/b14-9+
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n/an/a 430n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
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))
BDBM50344875
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CCN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N3O/c1-2-30-13-12-21(32)17(15-30)14-20-22(16-8-10-18(25)11-9-16)31(19-6-4-3-5-7-19)29-23(20)24(26,27)28/h3-11,14H,2,12-13,15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344879
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClF3N2O/c23-16-11-9-14(10-12-16)20-18(13-15-5-4-8-19(15)29)21(22(24,25)26)27-28(20)17-6-2-1-3-7-17/h1-3,6-7,9-13H,4-5,8H2
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344885
PNG
(1-(4-Chlorophenyl)-2-(2-(3,5-bis(trifluoromethyl)p...)
Show SMILES FC(F)(F)C(=O)C(=NNc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H8ClF9N2O2/c19-11-3-1-8(2-4-11)14(31)13(15(32)18(26,27)28)30-29-12-6-9(16(20,21)22)5-10(7-12)17(23,24)25/h1-7,29H
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344879
PNG
(2-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES FC(F)(F)c1nn(c(c1C=C1CCCC1=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C22H16ClF3N2O/c23-16-11-9-14(10-12-16)20-18(13-15-5-4-8-19(15)29)21(22(24,25)26)27-28(20)17-6-2-1-3-7-17/h1-3,6-7,9-13H,4-5,8H2
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344875
PNG
(3-((5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl...)
Show SMILES CCN1CCC(=O)C(C1)=Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C24H21ClF3N3O/c1-2-30-13-12-21(32)17(15-30)14-20-22(16-8-10-18(25)11-9-16)31(19-6-4-3-5-7-19)29-23(20)24(26,27)28/h3-11,14H,2,12-13,15H2,1H3
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n/an/a 450n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382204
PNG
(CHEMBL2024220)
Show SMILES Oc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-5-3-11(4-6-12)15-14(16(23-22-15)17(19,20)21)9-10-1-7-13(24)8-2-10/h1-9,24H/b14-9+
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n/an/a 480n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382200
PNG
(CHEMBL2024216)
Show SMILES COc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1OC
Show InChI InChI=1S/C19H14ClF3O4/c1-26-15-8-3-11(10-16(15)27-2)9-14(18(25)19(21,22)23)17(24)12-4-6-13(20)7-5-12/h3-10H,1-2H3/b14-9-
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n/an/a 500n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344878
PNG
(5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H...)
Show SMILES FC(F)(F)c1nn(c(c1C=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-8-6-11(7-9-12)15-14(10-24)16(17(19,20)21)22-23(15)13-4-2-1-3-5-13/h1-10H
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n/an/a 550n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344878
PNG
(5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H...)
Show SMILES FC(F)(F)c1nn(c(c1C=O)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H10ClF3N2O/c18-12-8-6-11(7-9-12)15-14(10-24)16(17(19,20)21)22-23(15)13-4-2-1-3-5-13/h1-10H
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n/an/a 550n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
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))
BDBM50382201
PNG
(CHEMBL2024217)
Show SMILES [O-][N+](=O)c1cccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)c1
Show InChI InChI=1S/C17H9ClF3NO4/c18-12-6-4-11(5-7-12)15(23)14(16(24)17(19,20)21)9-10-2-1-3-13(8-10)22(25)26/h1-9H/b14-9-
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n/an/a 660n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
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))
BDBM50344880
PNG
(1-(4-Chlorophenyl)-2-(2-(2-chlorophenyl)hydrazone)...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccccc1Cl)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N2O2/c17-10-7-5-9(6-8-10)14(24)13(15(25)16(19,20)21)23-22-12-4-2-1-3-11(12)18/h1-8,22H
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n/an/a 900n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344883
PNG
(1-(4-Chlorophenyl)-2-(2-(4-nitrophenyl)hydrazone)-...)
Show SMILES [O-][N+](=O)c1ccc(NN=C(C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C16H9ClF3N3O4/c17-10-3-1-9(2-4-10)14(24)13(15(25)16(18,19)20)22-21-11-5-7-12(8-6-11)23(26)27/h1-8,21H
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n/an/a 900n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344881
PNG
(1-(4-Chlorophenyl)-2-(2-(4-chlorophenyl)hydrazone)...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9Cl2F3N2O2/c17-10-3-1-9(2-4-10)14(24)13(15(25)16(19,20)21)23-22-12-7-5-11(18)6-8-12/h1-8,22H
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n/an/a 910n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344882
PNG
(1-(4-Chlorophenyl)-2-(2-(4-bromophenyl)hydrazone)-...)
Show SMILES FC(F)(F)C(=O)C(=NNc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClF3N2O2/c17-10-3-7-12(8-4-10)22-23-13(15(25)16(19,20)21)14(24)9-1-5-11(18)6-2-9/h1-8,22H
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n/an/a 910n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
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))
BDBM50382196
PNG
(CHEMBL2024214)
Show SMILES Oc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H10ClF3O3/c18-12-5-3-11(4-6-12)15(23)14(16(24)17(19,20)21)9-10-1-7-13(22)8-2-10/h1-9,22H/b14-9-
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
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))
BDBM50382205
PNG
(CHEMBL2024221)
Show SMILES COc1ccc(\C=C2/C(=NN=C2C(F)(F)F)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H12ClF3N2O/c1-25-14-8-2-11(3-9-14)10-15-16(12-4-6-13(19)7-5-12)23-24-17(15)18(20,21)22/h2-10H,1H3/b15-10+
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344884
PNG
(1-(4-Chlorophenyl)-2-(2-(4-methoxyphenyl)hydrazone...)
Show SMILES COc1ccc(NN=C(C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C17H12ClF3N2O3/c1-26-13-8-6-12(7-9-13)22-23-14(16(25)17(19,20)21)15(24)10-2-4-11(18)5-3-10/h2-9,22H,1H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50344888
PNG
(3-(4-Chlorophenyl)-4-(2-(4-bromophenyl)hydrazono)-...)
Show SMILES FC(F)(F)c1[nH]nc(c1N=Nc1ccc(Br)cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H9BrClF3N4/c17-10-3-7-12(8-4-10)22-24-14-13(9-1-5-11(18)6-2-9)23-25-15(14)16(19,20)21/h1-8H,(H,23,25)
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as PGF2alpha production from PGH2 after 5 mins by enzyme immunoassay


Bioorg Med Chem 19: 3416-24 (2011)


Article DOI: 10.1016/j.bmc.2011.04.027
BindingDB Entry DOI: 10.7270/Q2JM29ZT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382209
PNG
(CHEMBL2024226)
Show SMILES FC(F)(F)c1nn(c(c1\C=N\c1ccc(Br)cc1)-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H14BrClF3N3/c24-16-8-12-18(13-9-16)29-14-20-21(15-6-10-17(25)11-7-15)31(19-4-2-1-3-5-19)30-22(20)23(26,27)28/h1-14H/b29-14+
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50382199
PNG
(CHEMBL2024215)
Show SMILES COc1ccc(\C=C(\C(=O)c2ccc(Cl)cc2)C(=O)C(F)(F)F)cc1
Show InChI InChI=1S/C18H12ClF3O3/c1-25-14-8-2-11(3-9-14)10-15(17(24)18(20,21)22)16(23)12-4-6-13(19)7-5-12/h2-10H,1H3/b15-10-
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of Mansoura

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 20: 3306-16 (2012)


Article DOI: 10.1016/j.bmc.2012.03.044
BindingDB Entry DOI: 10.7270/Q2MK6DWZ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50070479
PNG
(CHEMBL3408788)
Show SMILES COc1ccc(CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C16H9Cl4NO3/c1-24-8-4-2-7(3-5-8)6-21-15(22)9-10(16(21)23)12(18)14(20)13(19)11(9)17/h2-5H,6H2,1H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 4.20E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 assessed as inhibition of PGF2alpha production from PGH2 preincubated for 5 mins before arachidonic acid addition measured a...


Eur J Med Chem 92: 115-23 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.039
BindingDB Entry DOI: 10.7270/Q2GH9KN3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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