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PubMed code 20727750

Compile data set for download or QSAR
Found 9 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 (Cyclooxygenase-2)


(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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Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immunoassay


Bioorg Med Chem Lett 20: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (human))
BDBM50327241
PNG
(2-(1-((1-(difluoromethyl)-2-oxo-1,2-dihydropyridin...)
Show SMILES COc1ccc2n(Cc3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18F2N2O4/c1-11-14(9-18(25)26)15-8-13(27-2)3-4-16(15)23(11)10-12-5-6-22(19(20)21)17(24)7-12/h3-8,19H,9-10H2,1-2H3,(H,25,26)
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PubMed
n/an/a 3.10E+4n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50327239
PNG
(2-(1-(1-(difluoromethyl)-2-oxo-1,2-dihydropyridine...)
Show SMILES COc1ccc2n(C(=O)c3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16F2N2O5/c1-10-13(9-17(25)26)14-8-12(28-2)3-4-15(14)23(10)18(27)11-5-6-22(19(20)21)16(24)7-11/h3-8,19H,9H2,1-2H3,(H,25,26)
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PubMed
n/an/a>1.00E+5n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50327240
PNG
(2-(1-(1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydrop...)
Show SMILES COc1ccc2n(C(=O)C3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18F2N2O5/c1-10-13(8-17(25)26)14-7-12(28-2)4-5-15(14)23(10)18(27)11-3-6-16(24)22(9-11)19(20)21/h3-5,7,19H,6,8-9H2,1-2H3,(H,25,26)
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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 ovine COX1 by enzyme immunoassay


Bioorg Med Chem Lett 20: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50327240
PNG
(2-(1-(1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydrop...)
Show SMILES COc1ccc2n(C(=O)C3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18F2N2O5/c1-10-13(8-17(25)26)14-7-12(28-2)4-5-15(14)23(10)18(27)11-3-6-16(24)22(9-11)19(20)21/h3-5,7,19H,6,8-9H2,1-2H3,(H,25,26)
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PubMed
n/an/a>1.00E+5n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50327241
PNG
(2-(1-((1-(difluoromethyl)-2-oxo-1,2-dihydropyridin...)
Show SMILES COc1ccc2n(Cc3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H18F2N2O4/c1-11-14(9-18(25)26)15-8-13(27-2)3-4-16(15)23(11)10-12-5-6-22(19(20)21)17(24)7-12/h3-8,19H,9-10H2,1-2H3,(H,25,26)
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PubMed
n/an/a>1.00E+5n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50327242
PNG
(2-(1-((1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydro...)
Show SMILES COc1ccc2n(CC3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H20F2N2O4/c1-11-14(8-18(25)26)15-7-13(27-2)4-5-16(15)22(11)9-12-3-6-17(24)23(10-12)19(20)21/h3-5,7,19H,6,8-10H2,1-2H3,(H,25,26)
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PubMed
n/an/a>1.00E+5n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50327239
PNG
(2-(1-(1-(difluoromethyl)-2-oxo-1,2-dihydropyridine...)
Show SMILES COc1ccc2n(C(=O)c3ccn(C(F)F)c(=O)c3)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H16F2N2O5/c1-10-13(9-17(25)26)14-8-12(28-2)3-4-15(14)23(10)18(27)11-5-6-22(19(20)21)16(24)7-11/h3-8,19H,9H2,1-2H3,(H,25,26)
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PubMed
n/an/a>1.00E+5n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50327242
PNG
(2-(1-((1-(difluoromethyl)-6-oxo-1,2,5,6-tetrahydro...)
Show SMILES COc1ccc2n(CC3=CCC(=O)N(C3)C(F)F)c(C)c(CC(O)=O)c2c1
Show InChI InChI=1S/C19H20F2N2O4/c1-11-14(8-18(25)26)15-7-13(27-2)4-5-16(15)22(11)9-12-3-6-17(24)23(10-12)19(20)21/h3-5,7,19H,6,8-10H2,1-2H3,(H,25,26)
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PubMed
n/an/a>1.00E+5n/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: 5776-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.132
BindingDB Entry DOI: 10.7270/Q2765FJ9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%