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PubMed code 18598017

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


(Mus musculus (Mouse))		BDBM50262934
PNG
(CHEMBL477362 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H25NO3S/c1-4-26-15-14-19-16-22(18-10-12-21(13-11-18)27(3,24)25)23(17(19)2)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3
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n/an/a 15n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262933
PNG
(CHEMBL451358 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FNO3S/c1-15-17(12-13-26-2)14-21(23(15)19-8-6-18(22)7-9-19)16-4-10-20(11-5-16)27(3,24)25/h4-11,14H,12-13H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262990
PNG
(CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3
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n/an/a 18n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262992
PNG
(CHEMBL479054 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H26FNO3S/c1-4-14-28-15-13-19-16-23(18-5-11-22(12-6-18)29(3,26)27)25(17(19)2)21-9-7-20(24)8-10-21/h5-12,16H,4,13-15H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50166278
PNG
(CHEMBL191941 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-10-12-20(13-11-17)28(3,25)26)23(16(18)2)19-8-6-5-7-9-19/h5-14H,4,15H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262989
PNG
(CHEMBL476536 | [3-(2-Ethoxyethyl)-1-(4-Fluoro)phen...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3S/c1-4-27-14-13-18-15-22(17-5-11-21(12-6-17)28(3,25)26)24(16(18)2)20-9-7-19(23)8-10-20/h5-12,15H,4,13-14H2,1-3H3
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n/an/a 47n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262931
PNG
(CHEMBL516289 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C21H23NO3S/c1-16-18(13-14-25-2)15-21(22(16)19-7-5-4-6-8-19)17-9-11-20(12-10-17)26(3,23)24/h4-12,15H,13-14H2,1-3H3
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n/an/a 48n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262932
PNG
(CHEMBL478415 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3S/c1-15-17(12-13-29-2)14-21(16-4-10-20(11-5-16)30(3,27)28)26(15)19-8-6-18(7-9-19)22(23,24)25/h4-11,14H,12-13H2,1-3H3
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n/an/a 49n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50166281
PNG
(CHEMBL192789 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4S/c1-4-31-22(28)14-17-13-21(16-5-11-20(12-6-16)32(3,29)30)27(15(17)2)19-9-7-18(8-10-19)23(24,25)26/h5-13H,4,14H2,1-3H3
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n/an/a 60n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262935
PNG
(CHEMBL515478 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3NO3S/c1-4-30-14-13-18-15-22(17-5-11-21(12-6-17)31(3,28)29)27(16(18)2)20-9-7-19(8-10-20)23(24,25)26/h5-12,15H,4,13-14H2,1-3H3
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n/an/a 85n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50262991
PNG
(CHEMBL479053 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO3S/c1-4-14-31-15-13-19-16-23(18-5-11-22(12-6-18)32(3,29)30)28(17(19)2)21-9-7-20(8-10-21)24(25,26)27/h5-12,16H,4,13-15H2,1-3H3
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n/an/a 110n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50166276
PNG
(CHEMBL363398 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-12-21(13-9-18)29(4,26)27)24(17(19)3)20-10-6-16(2)7-11-20/h6-14H,5,15H2,1-4H3
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n/an/a 480n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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n/an/a 660n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on thrombin-induced TXB2 production

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50262990
PNG
(CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as effect on thrombin-induced TXB2 production

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM13063
PNG
(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...)
Show SMILES Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
Show InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
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n/an/a 3.43E+4n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of COX1 in LPS-induced human whole blood assessed as PGE2 production

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50262990
PNG
(CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3
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n/an/a 8.60E+4n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of COX1 in LPS-induced human whole blood assessed as PGE2 production

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50166278
PNG
(CHEMBL191941 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)15-18-14-21(17-10-12-20(13-11-17)28(3,25)26)23(16(18)2)19-8-6-5-7-9-19/h5-14H,4,15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50166281
PNG
(CHEMBL192789 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F3NO4S/c1-4-31-22(28)14-17-13-21(16-5-11-20(12-6-16)32(3,29)30)27(15(17)2)19-9-7-18(8-10-19)23(24,25)26/h5-13H,4,14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262935
PNG
(CHEMBL515478 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3NO3S/c1-4-30-14-13-18-15-22(17-5-11-21(12-6-17)31(3,28)29)27(16(18)2)20-9-7-19(8-10-20)23(24,25)26/h5-12,15H,4,13-14H2,1-3H3
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Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262991
PNG
(CHEMBL479053 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C24H26F3NO3S/c1-4-14-31-15-13-19-16-23(18-5-11-22(12-6-18)32(3,29)30)28(17(19)2)21-9-7-20(8-10-21)24(25,26)27/h5-12,16H,4,13-15H2,1-3H3
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Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262990
PNG
(CHEMBL517675 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H27NO3S/c1-4-15-27-16-14-20-17-23(19-10-12-22(13-11-19)28(3,25)26)24(18(20)2)21-8-6-5-7-9-21/h5-13,17H,4,14-16H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262932
PNG
(CHEMBL478415 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO3S/c1-15-17(12-13-29-2)14-21(16-4-10-20(11-5-16)30(3,27)28)26(15)19-8-6-18(7-9-19)22(23,24)25/h4-11,14H,12-13H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262933
PNG
(CHEMBL451358 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C21H22FNO3S/c1-15-17(12-13-26-2)14-21(23(15)19-8-6-18(22)7-9-19)16-4-10-20(11-5-16)27(3,24)25/h4-11,14H,12-13H2,1-3H3
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Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262992
PNG
(CHEMBL479054 | [1-(4-Fluoro)phenyl-2-methyl-5-(4-m...)
Show SMILES CCCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H26FNO3S/c1-4-14-28-15-13-19-16-23(18-5-11-22(12-6-18)29(3,26)27)25(17(19)2)21-9-7-20(24)8-10-21/h5-12,16H,4,13-15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262934
PNG
(CHEMBL477362 | [3-(2-Ethoxyethyl)-2-methyl-5-(4-me...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C22H25NO3S/c1-4-26-15-14-19-16-22(18-10-12-21(13-11-18)27(3,24)25)23(17(19)2)20-8-6-5-7-9-20/h5-13,16H,4,14-15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50166276
PNG
(CHEMBL363398 | [5-(4-Methanesulfonyl-phenyl)-2-met...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(C)cc1
Show InChI InChI=1S/C23H25NO4S/c1-5-28-23(25)15-19-14-22(18-8-12-21(13-9-18)29(4,26)27)24(17(19)3)20-10-6-16(2)7-11-20/h6-14H,5,15H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262931
PNG
(CHEMBL516289 | [2-Methyl-5-(4-methylsulphonyl)phen...)
Show SMILES COCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C21H23NO3S/c1-16-18(13-14-25-2)15-21(22(16)19-7-5-4-6-8-19)17-9-11-20(12-10-17)26(3,23)24/h4-12,15H,13-14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50262989
PNG
(CHEMBL476536 | [3-(2-Ethoxyethyl)-1-(4-Fluoro)phen...)
Show SMILES CCOCCc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H24FNO3S/c1-4-27-14-13-18-15-22(17-5-11-21(12-6-17)28(3,25)26)24(16(18)2)20-9-7-19(23)8-10-20/h5-12,15H,4,13-14H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universita di Siena

Curated by ChEMBL


Assay Description
Inhibition of mouse COX1 in mouse J774 cells assessed as PGE2 production by radioimmunoassay

J Med Chem 51: 4476-81 (2008)


Article DOI: 10.1021/jm800084s
BindingDB Entry DOI: 10.7270/Q2KH0N55
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%