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PubMed code 18226898

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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Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233180
PNG
(1-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)ur...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 110n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233178
PNG
(1-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 130n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233182
PNG
(1-(4-(methylsulfonyl)phenyl)-3-phenylurea | CHEMBL...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16,17)
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n/an/a 170n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233179
PNG
(1-(4-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 270n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50233181
PNG
(1-(4-(methylsulfonyl)phenyl)-3-p-tolylurea | CHEMB...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O3S/c1-11-3-5-12(6-4-11)16-15(18)17-13-7-9-14(10-8-13)21(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 330n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233182
PNG
(1-(4-(methylsulfonyl)phenyl)-3-phenylurea | CHEMBL...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C14H14N2O3S/c1-20(18,19)13-9-7-12(8-10-13)16-14(17)15-11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16,17)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233181
PNG
(1-(4-(methylsulfonyl)phenyl)-3-p-tolylurea | CHEMB...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O3S/c1-11-3-5-12(6-4-11)16-15(18)17-13-7-9-14(10-8-13)21(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233179
PNG
(1-(4-chlorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C14H13ClN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233178
PNG
(1-(4-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)ure...)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C14H13FN2O3S/c1-21(19,20)13-8-6-12(7-9-13)17-14(18)16-11-4-2-10(15)3-5-11/h2-9H,1H3,(H2,16,17,18)
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n/an/a 2.18E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50233180
PNG
(1-(4-methoxyphenyl)-3-(4-(methylsulfonyl)phenyl)ur...)
Show SMILES COc1ccc(NC(=O)Nc2ccc(cc2)S(C)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-7-3-11(4-8-13)16-15(18)17-12-5-9-14(10-6-12)22(2,19)20/h3-10H,1-2H3,(H2,16,17,18)
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n/an/a 2.24E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
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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n/an/a 2.43E+4n/an/an/an/an/an/a



Shaheed Beheshti University of Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by chemiluminescent assay


Bioorg Med Chem Lett 18: 1336-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.021
BindingDB Entry DOI: 10.7270/Q2Z89C4T
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%