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PubMed code 19157881

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50029613
PNG
(1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3
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PubMed
n/an/a 7n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266516
PNG
(5-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nncc1-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-15(10-17-18-19)11-2-4-12(16)5-3-11/h2-10H,1H3
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n/an/a 30n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266515
PNG
(5-(4-Chlorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-15(10-17-18-19)11-2-4-12(16)5-3-11/h2-10H,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 COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(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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PubMed
n/an/a 70n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266511
PNG
(1-(4-Methanesulfonylphenyl)-5-phenyl-1H-[1,2,3]tri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nncc1-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S/c1-21(19,20)14-9-7-13(8-10-14)18-15(11-16-17-18)12-5-3-2-4-6-12/h2-11H,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 COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266512
PNG
(1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]t...)
Show SMILES Cc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-17-18-19(16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3
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n/an/a 120n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266480
PNG
(1-(4-Methanesulfonylphenyl)-4-phenyl-1H-[1,2,3]tri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S/c1-21(19,20)14-9-7-13(8-10-14)18-11-15(16-17-18)12-5-3-2-4-6-12/h2-11H,1H3
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n/an/a 150n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266513
PNG
(5-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-1...)
Show SMILES COc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-22-14-7-3-12(4-8-14)16-11-17-18-19(16)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3
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n/an/a 170n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266484
PNG
(4-(4-Chlorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,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 COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266485
PNG
(4-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,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 COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266514
PNG
(CHEMBL457331 | N,N-dimethyl-4-(1-(4-(methylsulfony...)
Show SMILES CN(C)c1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O2S/c1-20(2)14-6-4-13(5-7-14)17-12-18-19-21(17)15-8-10-16(11-9-15)24(3,22)23/h4-12H,1-3H3
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n/an/a 360n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266515
PNG
(5-(4-Chlorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-15(10-17-18-19)11-2-4-12(16)5-3-11/h2-10H,1H3
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n/an/a 700n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266512
PNG
(1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-1H-[1,2,3]t...)
Show SMILES Cc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-17-18-19(16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3
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n/an/a 780n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266511
PNG
(1-(4-Methanesulfonylphenyl)-5-phenyl-1H-[1,2,3]tri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nncc1-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S/c1-21(19,20)14-9-7-13(8-10-14)18-15(11-16-17-18)12-5-3-2-4-6-12/h2-11H,1H3
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n/an/a 810n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266513
PNG
(5-(4-Methoxyphenyl)-1-(4-(methylsulfonyl)phenyl)-1...)
Show SMILES COc1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-22-14-7-3-12(4-8-14)16-11-17-18-19(16)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3
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n/an/a 830n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266514
PNG
(CHEMBL457331 | N,N-dimethyl-4-(1-(4-(methylsulfony...)
Show SMILES CN(C)c1ccc(cc1)-c1cnnn1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O2S/c1-20(2)14-6-4-13(5-7-14)17-12-18-19-21(17)15-8-10-16(11-9-15)24(3,22)23/h4-12H,1-3H3
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n/an/a 840n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266516
PNG
(5-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nncc1-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-15(10-17-18-19)11-2-4-12(16)5-3-11/h2-10H,1H3
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n/an/a 910n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266482
PNG
(1-(4-Methanesulfonyl-phenyl)-4-(4-methoxyphenyl)-1...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-22-14-7-3-12(4-8-14)16-11-19(18-17-16)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266481
PNG
(1-(4-Methanesulfonyl-phenyl)-4-p-tolyl-1H-[1,2,3]t...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-19(18-17-16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50029613
PNG
(1-Methoxy-4-(2-(4-(methanesulfonyl)phenyl)cyclopen...)
Show SMILES COc1ccc(cc1)C1=C(CCC1)c1ccc(cc1)S(C)(=O)=O |t:9|
Show InChI InChI=1S/C19H20O3S/c1-22-16-10-6-14(7-11-16)18-4-3-5-19(18)15-8-12-17(13-9-15)23(2,20)21/h6-13H,3-5H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 7.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266482
PNG
(1-(4-Methanesulfonyl-phenyl)-4-(4-methoxyphenyl)-1...)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O3S/c1-22-14-7-3-12(4-8-14)16-11-19(18-17-16)13-5-9-15(10-6-13)23(2,20)21/h3-11H,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266483
PNG
(CHEMBL512916 | {4-[1-(4-Methanesulfonylphenyl)-1H-...)
Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O2S/c1-20(2)14-6-4-13(5-7-14)17-12-21(19-18-17)15-8-10-16(11-9-15)24(3,22)23/h4-12H,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX2 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266484
PNG
(4-(4-Chlorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,1H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266485
PNG
(4-(4-Fluorophenyl)-1-(4-methanesulfonylphenyl)-1H-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H12FN3O2S/c1-22(20,21)14-8-6-13(7-9-14)19-10-15(17-18-19)11-2-4-12(16)5-3-11/h2-10H,1H3
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n/an/a 1.25E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266480
PNG
(1-(4-Methanesulfonylphenyl)-4-phenyl-1H-[1,2,3]tri...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2S/c1-21(19,20)14-9-7-13(8-10-14)18-11-15(16-17-18)12-5-3-2-4-6-12/h2-11H,1H3
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n/an/a 2.08E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266481
PNG
(1-(4-Methanesulfonyl-phenyl)-4-p-tolyl-1H-[1,2,3]t...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H15N3O2S/c1-12-3-5-13(6-4-12)16-11-19(18-17-16)14-7-9-15(10-8-14)22(2,20)21/h3-11H,1-2H3
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n/an/a 4.50E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50266483
PNG
(CHEMBL512916 | {4-[1-(4-Methanesulfonylphenyl)-1H-...)
Show SMILES CN(C)c1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C17H18N4O2S/c1-20(2)14-6-4-13(5-7-14)17-12-21(19-18-17)15-8-10-16(11-9-15)24(3,22)23/h4-12H,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of COX1 by enzyme immunoassay


Bioorg Med Chem 17: 1146-51 (2009)


Article DOI: 10.1016/j.bmc.2008.12.032
BindingDB Entry DOI: 10.7270/Q2HQ3ZSJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%