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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'al-suwaidan' and Initial = 'ia'   
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-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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n/an/a 180n/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))
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))
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))
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))
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))
BDBM50070433
PNG
(CHEMBL3408792)
Show SMILES COc1cc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc(OC)c1OC
Show InChI InChI=1S/C22H19NO5/c1-26-17-10-13(11-18(27-2)20(17)28-3)12-23-21(24)15-8-4-6-14-7-5-9-16(19(14)15)22(23)25/h4-11H,12H2,1-3H3
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n/an/a 7.30E+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))
BDBM50070477
PNG
(CHEMBL3408790)
Show SMILES COc1cc(CN2C(=O)c3nccnc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C16H15N3O5/c1-22-10-6-9(7-11(23-2)14(10)24-3)8-19-15(20)12-13(16(19)21)18-5-4-17-12/h4-7H,8H2,1-3H3
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n/an/a 8.50E+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))
BDBM50070432
PNG
(CHEMBL1299386)
Show SMILES COc1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C20H15NO3/c1-24-15-10-8-13(9-11-15)12-21-19(22)16-6-2-4-14-5-3-7-17(18(14)16)20(21)23/h2-11H,12H2,1H3
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n/an/a 1.71E+4n/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))
BDBM50070492
PNG
(CHEMBL3408775)
Show SMILES COc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C19H19NO5/c1-11-5-6-13-14(7-11)19(22)20(18(13)21)10-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-9H,10H2,1-4H3
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n/an/a 2.40E+4n/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))
BDBM50070488
PNG
(CHEMBL3408779)
Show SMILES COc1ccc(CN2C(=O)c3ccc(cc3C2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H21NO3/c1-20(2,3)14-7-10-16-17(11-14)19(23)21(18(16)22)12-13-5-8-15(24-4)9-6-13/h5-11H,12H2,1-4H3
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n/an/a 2.91E+4n/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))
BDBM50070480
PNG
(CHEMBL3408787)
Show SMILES COc1cc(CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc(OC)c1OC
Show InChI InChI=1S/C18H13Cl4NO5/c1-26-8-4-7(5-9(27-2)16(8)28-3)6-23-17(24)10-11(18(23)25)13(20)15(22)14(21)12(10)19/h4-5H,6H2,1-3H3
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n/an/a 3.07E+4n/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))
BDBM50070484
PNG
(CHEMBL3408783)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
Show InChI InChI=1S/C15H9FN2O4/c16-10-3-1-9(2-4-10)8-17-14(19)12-6-5-11(18(21)22)7-13(12)15(17)20/h1-7H,8H2
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n/an/a 3.11E+4n/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))
BDBM50070489
PNG
(CHEMBL3408778)
Show SMILES COc1cc(CN2C(=O)c3ccc(cc3C2=O)C(C)(C)C)cc(OC)c1OC
Show InChI InChI=1S/C22H25NO5/c1-22(2,3)14-7-8-15-16(11-14)21(25)23(20(15)24)12-13-9-17(26-4)19(28-6)18(10-13)27-5/h7-11H,12H2,1-6H3
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n/an/a 3.22E+4n/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))
BDBM50070500
PNG
(CHEMBL3408773)
Show SMILES COc1cc(CN2C(=O)c3ccccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C18H17NO5/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-19-17(20)12-6-4-5-7-13(12)18(19)21/h4-9H,10H2,1-3H3
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n/an/a 3.38E+4n/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))
BDBM50070491
PNG
(CHEMBL3408776)
Show SMILES COc1ccc(CN2C(=O)c3ccc(C)cc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-11-3-8-14-15(9-11)17(20)18(16(14)19)10-12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3
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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 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))
BDBM50070475
PNG
(CHEMBL433813)
Show SMILES COc1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)8-17-13(18)11-12(14(17)19)16-7-6-15-11/h2-7H,8H2,1H3
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n/an/a 3.87E+4n/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))
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 4.00E+4n/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
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50070498
PNG
(CHEMBL1594493)
Show SMILES COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3
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n/an/a 4.01E+4n/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))
BDBM50070493
PNG
(CHEMBL3408774)
Show SMILES Fc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C15H10FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-8H,9H2
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PubMed
n/an/a 6.86E+4n/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))
BDBM50070427
PNG
(CHEMBL3408770)
Show SMILES COc1cc(CN2C(=O)C3CC=CCC3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C18H21NO5/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-19-17(20)12-6-4-5-7-13(12)18(19)21/h4-5,8-9,12-13H,6-7,10H2,1-3H3
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n/an/a 7.06E+4n/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))
BDBM50070490
PNG
(CHEMBL3408777)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
Show InChI InChI=1S/C16H12FNO2/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
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n/an/a 7.40E+4n/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))
BDBM50070430
PNG
(CHEMBL3408767)
Show SMILES COc1cc(CN2C(=O)CCC2=O)cc(OC)c1OC
Show InChI InChI=1S/C14H17NO5/c1-18-10-6-9(7-11(19-2)14(10)20-3)8-15-12(16)4-5-13(15)17/h6-7H,4-5,8H2,1-3H3
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n/an/a 7.51E+4n/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))
BDBM50070484
PNG
(CHEMBL3408783)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
Show InChI InChI=1S/C15H9FN2O4/c16-10-3-1-9(2-4-10)8-17-14(19)12-6-5-11(18(21)22)7-13(12)15(17)20/h1-7H,8H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070487
PNG
(CHEMBL3408780)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
Show InChI InChI=1S/C19H18FNO2/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(20)8-5-12/h4-10H,11H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070488
PNG
(CHEMBL3408779)
Show SMILES COc1ccc(CN2C(=O)c3ccc(cc3C2=O)C(C)(C)C)cc1
Show InChI InChI=1S/C20H21NO3/c1-20(2,3)14-7-10-16-17(11-14)19(23)21(18(16)22)12-13-5-8-15(24-4)9-6-13/h5-11H,12H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070489
PNG
(CHEMBL3408778)
Show SMILES COc1cc(CN2C(=O)c3ccc(cc3C2=O)C(C)(C)C)cc(OC)c1OC
Show InChI InChI=1S/C22H25NO5/c1-22(2,3)14-7-8-15-16(11-14)21(25)23(20(15)24)12-13-9-17(26-4)19(28-6)18(10-13)27-5/h7-11H,12H2,1-6H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070490
PNG
(CHEMBL3408777)
Show SMILES Cc1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
Show InChI InChI=1S/C16H12FNO2/c1-10-2-7-13-14(8-10)16(20)18(15(13)19)9-11-3-5-12(17)6-4-11/h2-8H,9H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070491
PNG
(CHEMBL3408776)
Show SMILES COc1ccc(CN2C(=O)c3ccc(C)cc3C2=O)cc1
Show InChI InChI=1S/C17H15NO3/c1-11-3-8-14-15(9-11)17(20)18(16(14)19)10-12-4-6-13(21-2)7-5-12/h3-9H,10H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070492
PNG
(CHEMBL3408775)
Show SMILES COc1cc(CN2C(=O)c3ccc(C)cc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C19H19NO5/c1-11-5-6-13-14(7-11)19(22)20(18(13)21)10-12-8-15(23-2)17(25-4)16(9-12)24-3/h5-9H,10H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070500
PNG
(CHEMBL3408773)
Show SMILES COc1cc(CN2C(=O)c3ccccc3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C18H17NO5/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-19-17(20)12-6-4-5-7-13(12)18(19)21/h4-9H,10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070425
PNG
(CHEMBL3408772)
Show SMILES Fc1ccc(CN2C(=O)C3CC=CCC3C2=O)cc1
Show InChI InChI=1S/C15H14FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-2,5-8,12-13H,3-4,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070426
PNG
(CHEMBL3408771)
Show SMILES COc1ccc(CN2C(=O)C3CC=CCC3C2=O)cc1
Show InChI InChI=1S/C16H17NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-3,6-9,13-14H,4-5,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070427
PNG
(CHEMBL3408770)
Show SMILES COc1cc(CN2C(=O)C3CC=CCC3C2=O)cc(OC)c1OC
Show InChI InChI=1S/C18H21NO5/c1-22-14-8-11(9-15(23-2)16(14)24-3)10-19-17(20)12-6-4-5-7-13(12)18(19)21/h4-5,8-9,12-13H,6-7,10H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070428
PNG
(CHEMBL3408769)
Show SMILES Fc1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070429
PNG
(CHEMBL3408768)
Show SMILES COc1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H13NO3/c1-16-10-4-2-9(3-5-10)8-13-11(14)6-7-12(13)15/h2-5H,6-8H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070430
PNG
(CHEMBL3408767)
Show SMILES COc1cc(CN2C(=O)CCC2=O)cc(OC)c1OC
Show InChI InChI=1S/C14H17NO5/c1-18-10-6-9(7-11(19-2)14(10)20-3)8-15-12(16)4-5-13(15)17/h6-7H,4-5,8H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 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))
BDBM50070487
PNG
(CHEMBL3408780)
Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c1
Show InChI InChI=1S/C19H18FNO2/c1-19(2,3)13-6-9-15-16(10-13)18(23)21(17(15)22)11-12-4-7-14(20)8-5-12/h4-10H,11H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine 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))
BDBM50070481
PNG
(CHEMBL3408786)
Show SMILES Fc1ccc(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1
Show InChI InChI=1S/C15H8Cl2FNO2/c16-12-5-10-11(6-13(12)17)15(21)19(14(10)20)7-8-1-3-9(18)4-2-8/h1-6H,7H2
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PubMed
n/an/a>1.00E+5n/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))
BDBM50070478
PNG
(CHEMBL3408789)
Show SMILES Fc1ccc(CN2C(=O)c3c(C2=O)c(Cl)c(Cl)c(Cl)c3Cl)cc1
Show InChI InChI=1S/C15H6Cl4FNO2/c16-10-8-9(11(17)13(19)12(10)18)15(23)21(14(8)22)5-6-1-3-7(20)4-2-6/h1-4H,5H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine 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))
BDBM50070474
PNG
(CHEMBL3408791)
Show SMILES Fc1ccc(CN2C(=O)c3nccnc3C2=O)cc1
Show InChI InChI=1S/C13H8FN3O2/c14-9-3-1-8(2-4-9)7-17-12(18)10-11(13(17)19)16-6-5-15-10/h1-6H,7H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine 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))
BDBM50070431
PNG
(CHEMBL3408793)
Show SMILES Fc1ccc(CN2C(=O)c3cccc4cccc(C2=O)c34)cc1
Show InChI InChI=1S/C19H12FNO2/c20-14-9-7-12(8-10-14)11-21-18(22)15-5-1-3-13-4-2-6-16(17(13)15)19(21)23/h1-10H,11H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine 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))
BDBM50070425
PNG
(CHEMBL3408772)
Show SMILES Fc1ccc(CN2C(=O)C3CC=CCC3C2=O)cc1
Show InChI InChI=1S/C15H14FNO2/c16-11-7-5-10(6-8-11)9-17-14(18)12-3-1-2-4-13(12)15(17)19/h1-2,5-8,12-13H,3-4,9H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine 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))
BDBM50070426
PNG
(CHEMBL3408771)
Show SMILES COc1ccc(CN2C(=O)C3CC=CCC3C2=O)cc1
Show InChI InChI=1S/C16H17NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-3,6-9,13-14H,4-5,10H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine 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))
BDBM50070428
PNG
(CHEMBL3408769)
Show SMILES Fc1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2
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PubMed
n/an/a>1.00E+5n/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))
BDBM50070429
PNG
(CHEMBL3408768)
Show SMILES COc1ccc(CN2C(=O)CCC2=O)cc1
Show InChI InChI=1S/C12H13NO3/c1-16-10-4-2-9(3-5-10)8-13-11(14)6-7-12(13)15/h2-5H,6-8H2,1H3
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PubMed
n/an/a>1.00E+5n/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))
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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Article
PubMed
n/an/a>1.00E+5n/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)
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