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PubMed code 22916727

Compile data set for download or QSAR
Found 18 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 1


(Ovis aries (Sheep))		BDBM50326129
PNG
(Indometacin)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-11-15(10-17(21)22)14-4-2-3-5-16(14)20(11)18(23)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 10n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 120n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(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 120n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 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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n/an/a 2.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 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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n/an/a 2.00E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50326129
PNG
(Indometacin)
Show SMILES Cc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClNO3/c1-11-15(10-17(21)22)14-4-2-3-5-16(14)20(11)18(23)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,21,22)
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n/an/a 3.90E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50396891
PNG
(CHEMBL2170687)
Show SMILES COc1ccc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-16(10-18(22)23)15-8-7-14(25-2)9-17(15)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 4.90E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50396891
PNG
(CHEMBL2170687)
Show SMILES COc1ccc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C19H16ClNO4/c1-11-16(10-18(22)23)15-8-7-14(25-2)9-17(15)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>2.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50396892
PNG
(CHEMBL2170688)
Show SMILES CCc1cccc2c(CC(O)=O)cn(C(=O)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H16ClNO3/c1-2-12-4-3-5-16-14(10-17(22)23)11-21(18(12)16)19(24)13-6-8-15(20)9-7-13/h3-9,11H,2,10H2,1H3,(H,22,23)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50396890
PNG
(CHEMBL2170686)
Show SMILES COc1cccc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-17(22)23)14-4-3-5-16(25-2)18(14)21(11)19(24)12-6-8-13(20)9-7-12/h3-9H,10H2,1-2H3,(H,22,23)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50362893
PNG
(CHEMBL1946565)
Show SMILES CCc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3/c1-2-16-15(11-18(22)23)14-5-3-4-6-17(14)21(16)19(24)12-7-9-13(20)10-8-12/h3-10H,2,11H2,1H3,(H,22,23)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50396893
PNG
(CHEMBL2170689)
Show SMILES Cc1cccc2c(CC(O)=O)cn(C(=O)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C18H14ClNO3/c1-11-3-2-4-15-13(9-16(21)22)10-20(17(11)15)18(23)12-5-7-14(19)8-6-12/h2-8,10H,9H2,1H3,(H,21,22)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50362894
PNG
(CHEMBL1946749)
Show SMILES OC(=O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C23H16ClNO3/c24-17-12-10-16(11-13-17)23(28)25-20-9-5-4-8-18(20)19(14-21(26)27)22(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50362894
PNG
(CHEMBL1946749)
Show SMILES OC(=O)Cc1c(-c2ccccc2)n(C(=O)c2ccc(Cl)cc2)c2ccccc12
Show InChI InChI=1S/C23H16ClNO3/c24-17-12-10-16(11-13-17)23(28)25-20-9-5-4-8-18(20)19(14-21(26)27)22(25)15-6-2-1-3-7-15/h1-13H,14H2,(H,26,27)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50362893
PNG
(CHEMBL1946565)
Show SMILES CCc1c(CC(O)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H16ClNO3/c1-2-16-15(11-18(22)23)14-5-3-4-6-17(14)21(16)19(24)12-7-9-13(20)10-8-12/h3-10H,2,11H2,1H3,(H,22,23)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50396892
PNG
(CHEMBL2170688)
Show SMILES CCc1cccc2c(CC(O)=O)cn(C(=O)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H16ClNO3/c1-2-12-4-3-5-16-14(10-17(22)23)11-21(18(12)16)19(24)13-6-8-15(20)9-7-13/h3-9,11H,2,10H2,1H3,(H,22,23)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))		BDBM50396893
PNG
(CHEMBL2170689)
Show SMILES Cc1cccc2c(CC(O)=O)cn(C(=O)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C18H14ClNO3/c1-11-3-2-4-15-13(9-16(21)22)10-20(17(11)15)18(23)12-5-7-14(19)8-6-12/h2-8,10H,9H2,1H3,(H,21,22)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))		BDBM50396890
PNG
(CHEMBL2170686)
Show SMILES COc1cccc2c(CC(O)=O)c(C)n(C(=O)c3ccc(Cl)cc3)c12
Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-17(22)23)14-4-3-5-16(25-2)18(14)21(11)19(24)12-6-8-13(20)9-7-12/h3-9H,10H2,1-2H3,(H,22,23)
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Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 by colorimetric assay

J Med Chem 55: 8152-63 (2012)


Article DOI: 10.1021/jm301084z
BindingDB Entry DOI: 10.7270/Q2BC40NJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%