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PubMed code 19957931

Compile data set for download or QSAR
Found 66 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))		BDBM50308732
PNG
(CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3
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n/an/a 7.30n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308736
PNG
(CHEMBL602237 | n-Butyl-2-Methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3
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n/an/a 14n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308738
PNG
(CHEMBL589813 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H23F2NO4S/c1-14(2)30-23(27)12-17-11-22(16-5-8-19(9-6-16)31(4,28)29)26(15(17)3)18-7-10-20(24)21(25)13-18/h5-11,13-14H,12H2,1-4H3
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n/an/a 21n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308740
PNG
(CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3
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n/an/a 22n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308737
PNG
(CHEMBL600844 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H26FNO4S/c1-4-5-13-30-24(27)15-19-14-23(18-9-11-22(12-10-18)31(3,28)29)26(17(19)2)21-8-6-7-20(25)16-21/h6-12,14,16H,4-5,13,15H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308735
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)
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n/an/a 28n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308739
PNG
(CHEMBL589087 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H25F2NO4S/c1-4-5-12-31-24(28)14-18-13-23(17-6-9-20(10-7-17)32(3,29)30)27(16(18)2)19-8-11-21(25)22(26)15-19/h6-11,13,15H,4-5,12,14H2,1-3H3
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n/an/a 30n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308741
PNG
(CHEMBL589166 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO5S/c1-5-6-15-31-25(27)17-20-16-24(19-7-13-23(14-8-19)32(4,28)29)26(18(20)2)21-9-11-22(30-3)12-10-21/h7-14,16H,5-6,15,17H2,1-4H3
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n/an/a 38n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
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



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308734
PNG
(CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3
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n/an/a 43n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		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 79n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308733
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO5S/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)
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n/an/a 170n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308742
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3,4-(difl...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H17F2NO4S/c1-12-14(10-20(24)25)9-19(13-3-6-16(7-4-13)28(2,26)27)23(12)15-5-8-17(21)18(22)11-15/h3-9,11H,10H2,1-2H3,(H,24,25)
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n/an/a 260n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		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 540n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50308734
PNG
(CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50308732
PNG
(CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		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 5.10E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308742
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3,4-(difl...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H17F2NO4S/c1-12-14(10-20(24)25)9-19(13-3-6-16(7-4-13)28(2,26)27)23(12)15-5-8-17(21)18(22)11-15/h3-9,11H,10H2,1-2H3,(H,24,25)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		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 1.25E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))		BDBM50308735
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in human whole blood assessed as inhibition of LPS-induced PGE2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50308732
PNG
(CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50308734
PNG
(CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308733
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO5S/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308742
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3,4-(difl...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H17F2NO4S/c1-12-14(10-20(24)25)9-19(13-3-6-16(7-4-13)28(2,26)27)23(12)15-5-8-17(21)18(22)11-15/h3-9,11H,10H2,1-2H3,(H,24,25)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
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 7.90E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		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 8.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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 8.40E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308736
PNG
(CHEMBL602237 | n-Butyl-2-Methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308734
PNG
(CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308738
PNG
(CHEMBL589813 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H23F2NO4S/c1-14(2)30-23(27)12-17-11-22(16-5-8-19(9-6-16)31(4,28)29)26(15(17)3)18-7-10-20(24)21(25)13-18/h5-11,13-14H,12H2,1-4H3
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n/an/a 8.50E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308739
PNG
(CHEMBL589087 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H25F2NO4S/c1-4-5-12-31-24(28)14-18-13-23(17-6-9-20(10-7-17)32(3,29)30)27(16(18)2)19-8-11-21(25)22(26)15-19/h6-11,13,15H,4-5,12,14H2,1-3H3
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n/an/a 8.60E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308737
PNG
(CHEMBL600844 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H26FNO4S/c1-4-5-13-30-24(27)15-19-14-23(18-9-11-22(12-10-18)31(3,28)29)26(17(19)2)21-8-6-7-20(25)16-21/h6-12,14,16H,4-5,13,15H2,1-3H3
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n/an/a 8.70E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308740
PNG
(CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308736
PNG
(CHEMBL602237 | n-Butyl-2-Methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308741
PNG
(CHEMBL589166 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO5S/c1-5-6-15-31-25(27)17-20-16-24(19-7-13-23(14-8-19)32(4,28)29)26(18(20)2)21-9-11-22(30-3)12-10-21/h7-14,16H,5-6,15,17H2,1-4H3
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n/an/a 8.90E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308735
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)
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n/an/a 8.90E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308739
PNG
(CHEMBL589087 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H25F2NO4S/c1-4-5-12-31-24(28)14-18-13-23(17-6-9-20(10-7-17)32(3,29)30)27(16(18)2)19-8-11-21(25)22(26)15-19/h6-11,13,15H,4-5,12,14H2,1-3H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308733
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO5S/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308738
PNG
(CHEMBL589813 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H23F2NO4S/c1-14(2)30-23(27)12-17-11-22(16-5-8-19(9-6-16)31(4,28)29)26(15(17)3)18-7-10-20(24)21(25)13-18/h5-11,13-14H,12H2,1-4H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308734
PNG
(CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3
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n/an/a 9.10E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308741
PNG
(CHEMBL589166 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO5S/c1-5-6-15-31-25(27)17-20-16-24(19-7-13-23(14-8-19)32(4,28)29)26(18(20)2)21-9-11-22(30-3)12-10-21/h7-14,16H,5-6,15,17H2,1-4H3
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n/an/a 9.20E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		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 9.50E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308735
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)
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n/an/a 9.60E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308742
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3,4-(difl...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C20H17F2NO4S/c1-12-14(10-20(24)25)9-19(13-3-6-16(7-4-13)28(2,26)27)23(12)15-5-8-17(21)18(22)11-15/h3-9,11H,10H2,1-2H3,(H,24,25)
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n/an/a 9.80E+4n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308735
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)
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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308737
PNG
(CHEMBL600844 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H26FNO4S/c1-4-5-13-30-24(27)15-19-14-23(18-9-11-22(12-10-18)31(3,28)29)26(17(19)2)21-8-6-7-20(25)16-21/h6-12,14,16H,4-5,13,15H2,1-3H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308734
PNG
(CHEMBL589812 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO4S/c1-15(2)29-23(26)13-18-12-22(17-8-10-21(11-9-17)30(4,27)28)25(16(18)3)20-7-5-6-19(24)14-20/h5-12,14-15H,13H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308738
PNG
(CHEMBL589813 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C23H23F2NO4S/c1-14(2)30-23(27)12-17-11-22(16-5-8-19(9-6-16)31(4,28)29)26(15(17)3)18-7-10-20(24)21(25)13-18/h5-11,13-14H,12H2,1-4H3
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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308739
PNG
(CHEMBL589087 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H25F2NO4S/c1-4-5-12-31-24(28)14-18-13-23(17-6-9-20(10-7-17)32(3,29)30)27(16(18)2)19-8-11-21(25)22(26)15-19/h6-11,13,15H,4-5,12,14H2,1-3H3
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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308736
PNG
(CHEMBL602237 | n-Butyl-2-Methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C24H27NO4S/c1-4-5-15-29-24(26)17-20-16-23(19-11-13-22(14-12-19)30(3,27)28)25(18(20)2)21-9-7-6-8-10-21/h6-14,16H,4-5,15,17H2,1-3H3
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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
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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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308732
PNG
(CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308732
PNG
(CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3
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Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308740
PNG
(CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308737
PNG
(CHEMBL600844 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C24H26FNO4S/c1-4-5-13-30-24(27)15-19-14-23(18-9-11-22(12-10-18)31(3,28)29)26(17(19)2)21-8-6-7-20(25)16-21/h6-12,14,16H,4-5,13,15H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308732
PNG
(CHEMBL605820 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES CC(C)OC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccccc1
Show InChI InChI=1S/C23H25NO4S/c1-16(2)28-23(25)15-19-14-22(18-10-12-21(13-11-18)29(4,26)27)24(17(19)3)20-8-6-5-7-9-20/h5-14,16H,15H2,1-4H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 1 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308741
PNG
(CHEMBL589166 | n-Butyl-2-methyl-5-[4-(methylsulfon...)
Show SMILES CCCCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C25H29NO5S/c1-5-6-15-31-25(27)17-20-16-24(19-7-13-23(14-8-19)32(4,28)29)26(18(20)2)21-9-11-22(30-3)12-10-21/h7-14,16H,5-6,15,17H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Mus musculus)		BDBM50308733
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[4-(methox...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO5S/c1-14-16(13-21(23)24)12-20(15-4-10-19(11-5-15)28(3,25)26)22(14)17-6-8-18(27-2)9-7-17/h4-12H,13H2,1-3H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1-dependent PGE2 production in LPS-stimulated mouse J774 cells by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50308740
PNG
(CHEMBL600167 | Isopropyl-2-methyl-5-[4-(methylsulf...)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OC(C)C)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H27NO5S/c1-16(2)30-24(26)15-19-14-23(18-6-12-22(13-7-18)31(5,27)28)25(17(19)3)20-8-10-21(29-4)11-9-20/h6-14,16H,15H2,1-5H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2-dependent PGE2 production in LPS-stimulated mouse J774 cells at 10 uM by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50308735
PNG
(2-Methyl-5-[4-(methylsulfonyl)phenyl]-1-[3-(fluoro...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C20H18FNO4S/c1-13-15(11-20(23)24)10-19(22(13)17-5-3-4-16(21)12-17)14-6-8-18(9-7-14)27(2,25)26/h3-10,12H,11H2,1-2H3,(H,23,24)
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n/an/a 1.25E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))		BDBM50166283
PNG
(CHEMBL192678 | Methyl-5-[4-(methylsulfonyl)phenyl]...)
Show SMILES Cc1c(CC(O)=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C20H19NO4S/c1-14-16(13-20(22)23)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)26(2,24)25/h3-12H,13H2,1-2H3,(H,22,23)
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n/an/a 1.32E+5n/an/an/an/an/an/a



Universit£ La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX1 in human whole blood assessed as thromboxane B2 production by RIA

J Med Chem 53: 723-33 (2010)


Article DOI: 10.1021/jm901269y
BindingDB Entry DOI: 10.7270/Q25X291D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%