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PubMed code 20061161

Compile data set for download or QSAR
Found 12 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


(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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PubMed
n/an/a 60n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50306357
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline-4-c...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(C(O)=O)c1-c1ccccc1
Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23(25)26)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H,25,26)
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n/an/a 70n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50306356
PNG
(4-amino-2-(4-(methylsulfonyl)phenyl)-3-phenylquino...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(N)c1-c1ccccc1
Show InChI InChI=1S/C22H18N2O2S/c1-27(25,26)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H2,23,24)
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n/an/a 80n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50306353
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2cc1-c1ccccc1
Show InChI InChI=1S/C22H17NO2S/c1-26(24,25)19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)23-22/h2-15H,1H3
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n/an/a 110n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50306354
PNG
(4-methyl-2-(4-methylsulfonyl)phenyl)-3-phenylquino...)
Show SMILES Cc1c(-c2ccccc2)c(nc2ccccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H19NO2S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-8-4-3-5-9-17)18-12-14-19(15-13-18)27(2,25)26/h3-15H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50306355
PNG
(3,4-diphenyl-2-(4-methylsulfonyl)phenyl)-quinoline...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C28H21NO2S/c1-32(30,31)23-18-16-22(17-19-23)28-27(21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)29-28/h2-19H,1H3
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n/an/a 130n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50306355
PNG
(3,4-diphenyl-2-(4-methylsulfonyl)phenyl)-quinoline...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(-c2ccccc2)c1-c1ccccc1
Show InChI InChI=1S/C28H21NO2S/c1-32(30,31)23-18-16-22(17-19-23)28-27(21-12-6-3-7-13-21)26(20-10-4-2-5-11-20)24-14-8-9-15-25(24)29-28/h2-19H,1H3
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n/an/a 1.02E+4n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50306354
PNG
(4-methyl-2-(4-methylsulfonyl)phenyl)-3-phenylquino...)
Show SMILES Cc1c(-c2ccccc2)c(nc2ccccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H19NO2S/c1-16-20-10-6-7-11-21(20)24-23(22(16)17-8-4-3-5-9-17)18-12-14-19(15-13-18)27(2,25)26/h3-15H,1-2H3
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n/an/a 1.33E+4n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50306356
PNG
(4-amino-2-(4-(methylsulfonyl)phenyl)-3-phenylquino...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(N)c1-c1ccccc1
Show InChI InChI=1S/C22H18N2O2S/c1-27(25,26)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H2,23,24)
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n/an/a 1.44E+4n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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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PubMed
n/an/a 2.43E+4n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50306353
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline | C...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2cc1-c1ccccc1
Show InChI InChI=1S/C22H17NO2S/c1-26(24,25)19-13-11-17(12-14-19)22-20(16-7-3-2-4-8-16)15-18-9-5-6-10-21(18)23-22/h2-15H,1H3
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n/an/a 3.35E+4n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50306357
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline-4-c...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(C(O)=O)c1-c1ccccc1
Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23(25)26)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H,25,26)
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n/an/a 4.81E+4n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%