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Compile Data Set for Download or QSAR

Found 260 hits with Last Name = 'anzellotti' and Initial = 'p'   
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))
BDBM50361590
PNG
(CHEMBL1939677)
Show SMILES COc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H26N2O8S/c1-17-19(16-24(27)33-13-4-14-34-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(32-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3
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n/an/a 2.40n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50361584
PNG
(CHEMBL1939671)
Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C23H23FN2O7S/c1-16-18(14-23(27)32-11-4-12-33-26(28)29)13-22(25(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)34(2,30)31/h3,5-10,13,15H,4,11-12,14H2,1-2H3
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n/an/a 7.30n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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 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))
BDBM50224118
PNG
(CHEMBL237592 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)13-17-12-21(16-8-10-20(11-9-16)29(3,26)27)24(15(17)2)19-7-5-6-18(23)14-19/h5-12,14H,4,13H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


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


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50224129
PNG
(CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


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


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50361581
PNG
(CHEMBL1939667)
Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(O)=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H21NO4S2/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 13n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
BDBM50430948
PNG
(CHEMBL2337402)
Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN2O6S/c1-16-18(11-12-30-13-14-31-25(26)27)15-22(24(16)20-7-5-19(23)6-8-20)17-3-9-21(10-4-17)32(2,28)29/h3-10,15H,11-14H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
More data for this
Ligand-Target Pair
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))
BDBM50430957
PNG
(CHEMBL2337404)
Show SMILES Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C23H26N2O6S/c1-18-20(13-16-30-14-6-15-31-25(26)27)17-23(24(18)21-7-4-3-5-8-21)19-9-11-22(12-10-19)32(2,28)29/h3-5,7-12,17H,6,13-16H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50430960
PNG
(CHEMBL2337400)
Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C22H24N2O6S/c1-17-19(12-13-29-14-15-30-24(25)26)16-22(23(17)20-6-4-3-5-7-20)18-8-10-21(11-9-18)31(2,27)28/h3-11,16H,12-15H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50361587
PNG
(CHEMBL1939674)
Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H24N2O7S2/c1-16-18(15-23(26)31-12-13-32-25(27)28)14-22(17-4-10-21(11-5-17)34(3,29)30)24(16)19-6-8-20(33-2)9-7-19/h4-11,14H,12-13,15H2,1-3H3
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n/an/a 17n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
BDBM50361578
PNG
(CHEMBL1939670)
Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C22H21FN2O7S/c1-15-17(13-22(26)31-10-11-32-25(27)28)12-21(24(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)33(2,29)30/h3-9,12,14H,10-11,13H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50224128
PNG
(CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3
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n/an/a 20n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


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


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
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))
BDBM50430956
PNG
(CHEMBL2337405)
Show SMILES Cc1c(CCOCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C23H25FN2O6S/c1-17-19(11-14-31-12-4-13-32-26(27)28)15-23(25(17)21-6-3-5-20(24)16-21)18-7-9-22(10-8-18)33(2,29)30/h3,5-10,15-16H,4,11-14H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50361592
PNG
(CHEMBL1939511 | US9162979, 8-II)
Show SMILES Cc1c(CC(=O)OCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C23H24FNO5S/c1-16-18(14-23(27)30-12-4-11-26)13-22(25(16)20-6-3-5-19(24)15-20)17-7-9-21(10-8-17)31(2,28)29/h3,5-10,13,15,26H,4,11-12,14H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
BDBM50224122
PNG
(CHEMBL398382 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1
Show InChI InChI=1S/C23H25NO5S/c1-5-29-23(25)15-18-14-22(17-6-12-21(13-7-17)30(4,26)27)24(16(18)2)19-8-10-20(28-3)11-9-19/h6-14H,5,15H2,1-4H3
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n/an/a 26n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


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


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50430954
PNG
(CHEMBL2337407 | US9162979, 36-II)
Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C22H25NO4S/c1-17-19(12-14-27-15-13-24)16-22(23(17)20-6-4-3-5-7-20)18-8-10-21(11-9-18)28(2,25)26/h3-11,16,24H,12-15H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50430959
PNG
(CHEMBL2337401)
Show SMILES Cc1c(CCOCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C22H23FN2O6S/c1-16-18(10-11-30-12-13-31-25(26)27)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)32(2,28)29/h3-9,14-15H,10-13H2,1-2H3
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n/an/a 27n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50361588
PNG
(CHEMBL1939675)
Show SMILES CSc1ccc(cc1)-n1c(C)c(CC(=O)OCCCO[N+]([O-])=O)cc1-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C24H26N2O7S2/c1-17-19(16-24(27)32-13-4-14-33-26(28)29)15-23(18-5-11-22(12-6-18)35(3,30)31)25(17)20-7-9-21(34-2)10-8-20/h5-12,15H,4,13-14,16H2,1-3H3
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n/an/a 27n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
BDBM50361585
PNG
(CHEMBL1939672)
Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H21FN2O7S/c1-15-17(14-22(26)31-11-12-32-25(27)28)13-21(24(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)33(2,29)30/h3-10,13H,11-12,14H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
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))
BDBM50361586
PNG
(CHEMBL1939673)
Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN2O7S/c1-16-18(15-23(27)32-12-3-13-33-26(28)29)14-22(25(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)34(2,30)31/h4-11,14H,3,12-13,15H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
BDBM50361593
PNG
(CHEMBL1939512 | US9162979, 2-II)
Show SMILES Cc1c(CC(=O)OCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FNO5S/c1-15-17(14-22(26)29-12-11-25)13-21(24(15)19-7-5-18(23)6-8-19)16-3-9-20(10-4-16)30(2,27)28/h3-10,13,25H,11-12,14H2,1-2H3
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n/an/a 39n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
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))
BDBM50361583
PNG
(CHEMBL1939669)
Show SMILES Cc1c(CC(=O)OCCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C23H24N2O7S/c1-17-19(16-23(26)31-13-6-14-32-25(27)28)15-22(24(17)20-7-4-3-5-8-20)18-9-11-21(12-10-18)33(2,29)30/h3-5,7-12,15H,6,13-14,16H2,1-2H3
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n/an/a 42n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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))
BDBM50361582
PNG
(CHEMBL1939668)
Show SMILES Cc1c(CC(=O)OCCO[N+]([O-])=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C22H22N2O7S/c1-16-18(15-22(25)30-12-13-31-24(26)27)14-21(23(16)19-6-4-3-5-7-19)17-8-10-20(11-9-17)32(2,28)29/h3-11,14H,12-13,15H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50430953
PNG
(CHEMBL2337408 | US9162979, 38-II)
Show SMILES Cc1c(CCOCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C22H24FNO4S/c1-16-18(10-12-28-13-11-25)14-22(24(16)20-5-3-4-19(23)15-20)17-6-8-21(9-7-17)29(2,26)27/h3-9,14-15,25H,10-13H2,1-2H3
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n/an/a 46n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli lipopolysaccharide-induced COX2 activity in mouse J774 cells assessed as decrease in PGE2 levels after 24 hrs by RIA


J Med Chem 56: 3191-206 (2013)


Article DOI: 10.1021/jm301370e
BindingDB Entry DOI: 10.7270/Q2JS9RSB
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))
BDBM50361594
PNG
(CHEMBL1939513)
Show SMILES Cc1c(CC(=O)OCCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C23H24FNO5S/c1-16-18(15-23(27)30-13-3-12-26)14-22(25(16)20-8-6-19(24)7-9-20)17-4-10-21(11-5-17)31(2,28)29/h4-11,14,26H,3,12-13,15H2,1-2H3
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n/an/a 56n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
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 60n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


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


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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 60n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 61n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50253541
PNG
((-)-(R)-Ethyl-[2-hydroxy-2-[1-(3-fluoro)phenyl-2-m...)
Show SMILES CCOC(=O)[C@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H22FNO5S/c1-4-29-22(26)21(25)19-13-20(15-8-10-18(11-9-15)30(3,27)28)24(14(19)2)17-7-5-6-16(23)12-17/h5-13,21,25H,4H2,1-3H3/t21-/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
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))
BDBM50253543
PNG
((+)-(S)-Ethyl-[2-hydroxy-2-[1-(4-methoxy)phenyl-2-...)
Show SMILES CCOC(=O)[C@@H](O)c1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H25NO6S/c1-5-30-23(26)22(25)20-14-21(16-6-12-19(13-7-16)31(4,27)28)24(15(20)2)17-8-10-18(29-3)11-9-17/h6-14,22,25H,5H2,1-4H3/t22-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated mouse J774 cells assessed as inhibition of PGE2 production after 15 mins by radioimmunoassay


Bioorg Med Chem 16: 8072-81 (2008)


Article DOI: 10.1016/j.bmc.2008.07.058
BindingDB Entry DOI: 10.7270/Q24J0DZW
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50361579
PNG
(CHEMBL1939680 | US9162979, 3-II)
Show SMILES Cc1c(CC(=O)OCCO)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C22H22FNO5S/c1-15-17(13-22(26)29-11-10-25)12-21(24(15)19-5-3-4-18(23)14-19)16-6-8-20(9-7-16)30(2,27)28/h3-9,12,14,25H,10-11,13H2,1-2H3
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n/an/a 85n/an/an/an/an/an/a



Universit£"Sapienza"

Curated by ChEMBL


Assay Description
Inhibition of COX-2-mediated PGE2 production in LPS-stimulated mouse J774 cells after 24 hrs by radioimmunoassay


J Med Chem 54: 7759-71 (2011)


Article DOI: 10.1021/jm200715n
BindingDB Entry DOI: 10.7270/Q2W37WR0
More data for this
Ligand-Target Pair
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