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Compile Data Set for Download or QSAR

Found 491 hits with Last Name = 'abdellatif' and Initial = 'kr'   
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))
BDBM50375397
PNG
(CHEMBL262849)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#Cc1cccnc1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-6-12(7-9-14)4-5-13-3-2-10-15-11-13/h2-3,6-11H,1H3
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n/an/a 40n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
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 65n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by EIA


Bioorg Med Chem Lett 20: 5245-50 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.155
BindingDB Entry DOI: 10.7270/Q2RX9C9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
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 65n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human COX2 by enzyme immunoassay


Bioorg Med Chem Lett 20: 4544-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.022
BindingDB Entry DOI: 10.7270/Q2X92BG8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375406
PNG
(CHEMBL259429)
Show SMILES Cc1cccnc1C#Cc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H12N2O2S/c1-11-3-2-10-16-14(11)9-6-12-4-7-13(8-5-12)19(15,17)18/h2-5,7-8,10H,1H3,(H2,15,17,18)
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n/an/a 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
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 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 16: 3302-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50374775
PNG
(CHEMBL260841)
Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C18H16BrNO7S/c1-28(24,25)16-8-2-13(3-9-16)12-17(14-4-6-15(19)7-5-14)18(21)26-10-11-27-20(22)23/h2-9,12H,10-11H2,1H3/b17-12+
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n/an/a 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 16: 3302-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK
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 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
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 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem Lett 18: 6138-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.009
BindingDB Entry DOI: 10.7270/Q2SF2W16
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 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 9694-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.001
BindingDB Entry DOI: 10.7270/Q2PN95HK
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 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 15: 6796-801 (2007)


Article DOI: 10.1016/j.bmc.2007.07.021
BindingDB Entry DOI: 10.7270/Q28052B9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
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 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 3951-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.017
BindingDB Entry DOI: 10.7270/Q2J103HW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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 100n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 19: 3014-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.059
BindingDB Entry DOI: 10.7270/Q2CR5T81
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375403
PNG
(CHEMBL260944)
Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccncc1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-5-3-2-4-13(14)7-6-12-8-10-15-11-9-12/h2-5,8-11H,1H3
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n/an/a 110n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
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 120n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem Lett 20: 1324-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.014
BindingDB Entry DOI: 10.7270/Q2GQ6XVV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
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 120n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immunoassay


J Med Chem 52: 1525-9 (2009)


Article DOI: 10.1021/jm8015188
BindingDB Entry DOI: 10.7270/Q26Q1X5H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
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 120n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 19: 584-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.066
BindingDB Entry DOI: 10.7270/Q22R3RJ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
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 120n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immunoassay


Bioorg Med Chem 17: 5182-8 (2009)


Article DOI: 10.1016/j.bmc.2009.05.046
BindingDB Entry DOI: 10.7270/Q2DF6S5V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
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 130n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1


J Med Chem 54: 1356-64 (2011)


Article DOI: 10.1021/jm101403g
BindingDB Entry DOI: 10.7270/Q2RJ4KFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50374768
PNG
(CHEMBL260539)
Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H17NO7S/c1-27(23,24)16-9-7-14(8-10-16)13-17(15-5-3-2-4-6-15)18(20)25-11-12-26-19(21)22/h2-10,13H,11-12H2,1H3/b17-13+
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n/an/a 180n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem 16: 3302-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O
Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX-1


J Med Chem 54: 1356-64 (2011)


Article DOI: 10.1021/jm101403g
BindingDB Entry DOI: 10.7270/Q2RJ4KFB
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50248696
PNG
(1-(4-Methanesulfonylphenyl)-5-(2-chloropyridin-4-y...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccnc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H11ClF3N3O2S/c1-26(24,25)12-4-2-11(3-5-12)23-13(9-14(22-23)16(18,19)20)10-6-7-21-15(17)8-10/h2-9H,1H3
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n/an/a 190n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immunoassay


J Med Chem 52: 1525-9 (2009)


Article DOI: 10.1021/jm8015188
BindingDB Entry DOI: 10.7270/Q26Q1X5H
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375401
PNG
(CHEMBL260943)
Show SMILES CS(=O)(=O)c1cccc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h2-7,10-11H,1H3
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n/an/a 200n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375405
PNG
(CHEMBL404928)
Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccccn1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-3-2-6-12(14)9-10-13-7-4-5-11-15-13/h2-8,11H,1H3
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n/an/a 210n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM221998
PNG
(4-[3-(4-Chloro-phenyl)-5-(3,4,5-trimethoxy-phenyl)...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H24ClN3O5S/c1-31-22-12-16(13-23(32-2)24(22)33-3)21-14-20(15-4-6-17(25)7-5-15)27-28(21)18-8-10-19(11-9-18)34(26,29)30/h4-13,21H,14H2,1-3H3,(H2,26,29,30)
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n/an/a 220n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50375403
PNG
(CHEMBL260944)
Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccncc1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-5-3-2-4-13(14)7-6-12-8-10-15-11-9-12/h2-5,8-11H,1H3
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n/an/a 260n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50375405
PNG
(CHEMBL404928)
Show SMILES CS(=O)(=O)c1ccccc1C#Cc1ccccn1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-8-3-2-6-12(14)9-10-13-7-4-5-11-15-13/h2-8,11H,1H3
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n/an/a 280n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM50303170
PNG
(CHEMBL579022 | N-Acetyl-5-(N-difluoromethyl-1,2-di...)
Show SMILES CC(=O)NS(=O)(=O)c1cc(ccc1C(O)=O)-c1ccn(C(F)F)c(=O)c1
Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-6-9(2-3-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)
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n/an/a 280n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay


Bioorg Med Chem Lett 19: 6855-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.083
BindingDB Entry DOI: 10.7270/Q2D79CB6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 17: 5182-8 (2009)


Article DOI: 10.1016/j.bmc.2009.05.046
BindingDB Entry DOI: 10.7270/Q2DF6S5V
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of sheep COX1 by enzyme immunoassay


Bioorg Med Chem Lett 20: 4544-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.022
BindingDB Entry DOI: 10.7270/Q2X92BG8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 20: 1324-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.014
BindingDB Entry DOI: 10.7270/Q2GQ6XVV
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375395
PNG
(CHEMBL265444)
Show SMILES NS(=O)(=O)c1ccc(cc1)C#Cc1ccccn1
Show InChI InChI=1S/C13H10N2O2S/c14-18(16,17)13-8-5-11(6-9-13)4-7-12-3-1-2-10-15-12/h1-3,5-6,8-10H,(H2,14,16,17)
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 19: 3014-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.059
BindingDB Entry DOI: 10.7270/Q2CR5T81
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 300n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 9694-8 (2008)


Article DOI: 10.1016/j.bmc.2008.10.001
BindingDB Entry DOI: 10.7270/Q2PN95HK
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM50303169
PNG
(CHEMBL571852 | N-Acetyl-4-(N-difluoromethyl-1,2-di...)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1C(O)=O)-c1ccn(C(F)F)c(=O)c1
Show InChI InChI=1S/C15H12F2N2O6S/c1-8(20)18-26(24,25)12-3-2-9(6-11(12)14(22)23)10-4-5-19(15(16)17)13(21)7-10/h2-7,15H,1H3,(H,18,20)(H,22,23)
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n/an/a 320n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay


Bioorg Med Chem Lett 19: 6855-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.083
BindingDB Entry DOI: 10.7270/Q2D79CB6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375399
PNG
(CHEMBL262852)
Show SMILES CS(=O)(=O)c1cccc(c1)C#Cc1ccncc1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-4-2-3-13(11-14)6-5-12-7-9-15-10-8-12/h2-4,7-11H,1H3
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n/an/a 320n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375398
PNG
(CHEMBL408370)
Show SMILES CS(=O)(=O)c1ccc(cc1)C#Cc1ccccn1
Show InChI InChI=1S/C14H11NO2S/c1-18(16,17)14-9-6-12(7-10-14)5-8-13-4-2-3-11-15-13/h2-4,6-7,9-11H,1H3
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n/an/a 330n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 19: 584-8 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.066
BindingDB Entry DOI: 10.7270/Q22R3RJ7
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of bovine COX-1 by enzyme immuno assay


Bioorg Med Chem Lett 19: 6855-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.083
BindingDB Entry DOI: 10.7270/Q2D79CB6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem Lett 18: 6138-41 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.009
BindingDB Entry DOI: 10.7270/Q2SF2W16
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 16: 3302-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM22360
PNG
(2-(acetyloxy)benzoate | 2-(acetyloxy)benzoic acid ...)
Show SMILES CC(=O)Oc1ccccc1C(O)=O
Show InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
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n/an/a 350n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immuno assay


Bioorg Med Chem 15: 6796-801 (2007)


Article DOI: 10.1016/j.bmc.2007.07.021
BindingDB Entry DOI: 10.7270/Q28052B9
More data for this
Ligand-Target Pair
5-Lipoxygenase


(Solanum tuberosum (potato))
BDBM50303172
PNG
(5-(N-Difluoromethyl-1,2-dihydropyrid-2-one-4-yl)sa...)
Show SMILES OC(=O)c1cc(ccc1O)-c1ccn(C(F)F)c(=O)c1
Show InChI InChI=1S/C13H9F2NO4/c14-13(15)16-4-3-8(6-11(16)18)7-1-2-10(17)9(5-7)12(19)20/h1-6,13,17H,(H,19,20)
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n/an/a 370n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay


Bioorg Med Chem Lett 19: 6855-61 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.083
BindingDB Entry DOI: 10.7270/Q2D79CB6
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50374775
PNG
(CHEMBL260841)
Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(=O)OCCO[N+]([O-])=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C18H16BrNO7S/c1-28(24,25)16-8-2-13(3-9-16)12-17(14-4-6-15(19)7-5-14)18(21)26-10-11-27-20(22)23/h2-9,12H,10-11H2,1H3/b17-12+
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n/an/a 370n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 16: 3302-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50374770
PNG
(CHEMBL407035)
Show SMILES CS(=O)(=O)c1ccc(\C=C(\C(O)=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H13FO4S/c1-22(20,21)14-8-2-11(3-9-14)10-15(16(18)19)12-4-6-13(17)7-5-12/h2-10H,1H3,(H,18,19)/b15-10+
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n/an/a 400n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme immunoassay


Bioorg Med Chem 16: 3302-8 (2008)


Article DOI: 10.1016/j.bmc.2007.12.006
BindingDB Entry DOI: 10.7270/Q2DN45XK
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM222457
PNG
((E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(3,4,5-trimethox...)
Show SMILES COc1cc(\C=C2\N=C(N(C2=O)c2ccc(cc2)S(N)(=O)=O)c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C25H22ClN3O6S/c1-33-21-13-15(14-22(34-2)23(21)35-3)12-20-25(30)29(18-8-10-19(11-9-18)36(27,31)32)24(28-20)16-4-6-17(26)7-5-16/h4-14H,1-3H3,(H2,27,31,32)/b20-12+
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n/an/a 420n/an/an/an/an/an/a



Beni-Suef University; Ibn Sina National College for Medical Studies



Assay Description
The ability of the test compounds 10a-h listed in Table 1 to inhibit ovine COX-1 and human recombinant COX-2 (IC50 value, mM) was determined using an...


Bioorg Chem 72: 123-129 (2017)


Article DOI: 10.1016/j.bioorg.2017.04.002
BindingDB Entry DOI: 10.7270/Q2MS3RMF
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM222002
PNG
(3-(4-Bromo-phenyl)-5-(4-chloro-phenyl)-1-(4-methan...)
Show SMILES COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccc(cc1)S(C)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClN2O5S/c1-31-23-13-17(14-24(32-2)25(23)33-3)22-15-21(16-5-7-18(26)8-6-16)27-28(22)19-9-11-20(12-10-19)34(4,29)30/h5-14,22H,15H2,1-4H3
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n/an/a 420n/an/an/an/an/an/a



Beni-Suef University



Assay Description
The in vitro inhibition of ovine COX-1 and COX-2 was measured using an enzyme immuno assay (EIA) kit (Cayman Chemical, Ann Arbor, MI, USA) according ...


Bioorg Chem 70: 57-66 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.008
BindingDB Entry DOI: 10.7270/Q2WH2NVP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50339180
PNG
(2-{2-[1-(4-Chlorobenzoyl)-2-methyl-5-methoxyl-1H-i...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCCS(=O)(=O)NO)c2c1
Show InChI InChI=1S/C21H21ClN2O7S/c1-13-17(12-20(25)31-9-10-32(28,29)23-27)18-11-16(30-2)7-8-19(18)24(13)21(26)14-3-5-15(22)6-4-14/h3-8,11,23,27H,9-10,12H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX-2


J Med Chem 54: 1356-64 (2011)


Article DOI: 10.1021/jm101403g
BindingDB Entry DOI: 10.7270/Q2RJ4KFB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50375402
PNG
(CHEMBL404927)
Show SMILES Cc1cccnc1C#Cc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C15H13NO2S/c1-12-6-5-11-16-14(12)10-9-13-7-3-4-8-15(13)19(2,17)18/h3-8,11H,1-2H3
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n/an/a 420n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 16: 1948-56 (2008)


Article DOI: 10.1016/j.bmc.2007.11.003
BindingDB Entry DOI: 10.7270/Q2VH5PPP
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM22369
PNG
(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
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n/an/a 500n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 by enzyme immuno assay


Bioorg Med Chem Lett 21: 3951-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.017
BindingDB Entry DOI: 10.7270/Q2J103HW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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