Compile Data Set for Download or QSAR
Found 36 Enz. Inhib. hit(s) with all data for entry = 50005436
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492037(CHEMBL2391055)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1)C#N
Show InChI InChI=1S/C19H14F2N2O2S/c1-12-14(11-22)9-19(13-3-6-16(7-4-13)26(2,24)25)23(12)15-5-8-17(20)18(21)10-15/h3-10H,1-2H3
Affinity DataIC50: 2.20nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492043(CHEMBL2391047)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)10-19(21(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-12H,1-2H3
Affinity DataIC50: 9.5nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492035(CHEMBL2391054)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 13nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50057895(1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 29nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50057898(1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-12H,1-2H3
Affinity DataIC50: 34nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492040(CHEMBL2391049)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C19H17NO3S/c1-14-16(13-21)12-19(20(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-13H,1-2H3
Affinity DataIC50: 34nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM11639(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)
Affinity DataIC50: 61nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492034(CHEMBL2391048)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H15F2NO3S/c1-12-14(11-23)9-19(13-3-6-16(7-4-13)26(2,24)25)22(12)15-5-8-17(20)18(21)10-15/h3-11H,1-2H3
Affinity DataIC50: 70nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492039(CHEMBL2391052)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H16F2N2O3S/c1-12-14(11-22-24)9-19(13-3-6-16(7-4-13)27(2,25)26)23(12)15-5-8-17(20)18(21)10-15/h3-11,24H,1-2H3/b22-11-
Affinity DataIC50: 160nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492038(CHEMBL2391053)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C19H18N2O3S/c1-14-16(13-20-22)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)25(2,23)24/h3-13,22H,1-2H3/b20-13-
Affinity DataIC50: 190nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492036(CHEMBL2391056)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1)C#N
Show InChI InChI=1S/C19H16N2O2S/c1-14-16(13-20)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-12H,1-2H3
Affinity DataIC50: 360nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492041(CHEMBL2391050)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O3S/c1-13-15(12-21-23)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)26(2,24)25/h3-12,23H,1-2H3/b21-12-
Affinity DataIC50: 360nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 2(Mus musculus (Mouse))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492042(CHEMBL2391051)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O3S/c1-13-15(12-21-23)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)26(2,24)25/h3-12,23H,1-2H3/b21-12-
Affinity DataIC50: 440nMAssay Description:Inhibition of COX2 in mouse J774 cells assessed as inhibition of LPS-induced PGE2 production by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50057895(1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 750nMAssay Description:Inhibition of human COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492035(CHEMBL2391054)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of monocyte COX2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 production after 24 hrs by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50057898(1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-12H,1-2H3
Affinity DataIC50: 3.23E+3nMAssay Description:Inhibition of human COX2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM11639(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)
Affinity DataIC50: 3.84E+3nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492040(CHEMBL2391049)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C19H17NO3S/c1-14-16(13-21)12-19(20(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-13H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492038(CHEMBL2391053)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1
Show InChI InChI=1S/C19H18N2O3S/c1-14-16(13-20-22)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)25(2,23)24/h3-13,22H,1-2H3/b20-13-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50057895(1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492034(CHEMBL2391048)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H15F2NO3S/c1-12-14(11-23)9-19(13-3-6-16(7-4-13)26(2,24)25)22(12)15-5-8-17(20)18(21)10-15/h3-11H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492036(CHEMBL2391056)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccccc1)C#N
Show InChI InChI=1S/C19H16N2O2S/c1-14-16(13-20)12-19(21(14)17-6-4-3-5-7-17)15-8-10-18(11-9-15)24(2,22)23/h3-12H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492042(CHEMBL2391051)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O3S/c1-13-15(12-21-23)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)26(2,24)25/h3-12,23H,1-2H3/b21-12-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492039(CHEMBL2391052)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H16F2N2O3S/c1-12-14(11-22-24)9-19(13-3-6-16(7-4-13)27(2,25)26)23(12)15-5-8-17(20)18(21)10-15/h3-11,24H,1-2H3/b22-11-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492043(CHEMBL2391047)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1
Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)10-19(21(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-12H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492037(CHEMBL2391055)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1)C#N
Show InChI InChI=1S/C19H14F2N2O2S/c1-12-14(11-22)9-19(13-3-6-16(7-4-13)26(2,24)25)23(12)15-5-8-17(20)18(21)10-15/h3-10H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492041(CHEMBL2391050)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C19H17FN2O3S/c1-13-15(12-21-23)11-19(22(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)26(2,24)25/h3-12,23H,1-2H3/b21-12-
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50057898(1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-2...)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)cc1
Show InChI InChI=1S/C19H16FNO3S/c1-13-15(12-22)11-19(21(13)17-7-5-16(20)6-8-17)14-3-9-18(10-4-14)25(2,23)24/h3-12H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Mus musculus)
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492035(CHEMBL2391054)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of COX1 in mouse J774 cells using arachidonic acid as substrate assessed as inhibition of PGE2 production incubated for 15 mins prior to s...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492034(CHEMBL2391048)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H15F2NO3S/c1-12-14(11-23)9-19(13-3-6-16(7-4-13)26(2,24)25)22(12)15-5-8-17(20)18(21)10-15/h3-11H,1-2H3
Affinity DataIC50: 1.48E+4nMAssay Description:Inhibition of monocyte COX2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 production after 24 hrs by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492039(CHEMBL2391052)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H16F2N2O3S/c1-12-14(11-22-24)9-19(13-3-6-16(7-4-13)27(2,25)26)23(12)15-5-8-17(20)18(21)10-15/h3-11,24H,1-2H3/b22-11-
Affinity DataIC50: 1.73E+4nMAssay Description:Inhibition of monocyte COX2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 production after 24 hrs by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492035(CHEMBL2391054)
Show SMILES Cc1c(cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1cccc(F)c1)C#N
Show InChI InChI=1S/C19H15FN2O2S/c1-13-15(12-21)10-19(22(13)17-5-3-4-16(20)11-17)14-6-8-18(9-7-14)25(2,23)24/h3-11H,1-2H3
Affinity DataIC50: 5.05E+4nMAssay Description:Inhibition of platelet COX1 in human whole blood assessed as inhibition of serum TXB2 production after 1 hr by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492034(CHEMBL2391048)
Show SMILES Cc1c(C=O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H15F2NO3S/c1-12-14(11-23)9-19(13-3-6-16(7-4-13)26(2,24)25)22(12)15-5-8-17(20)18(21)10-15/h3-11H,1-2H3
Affinity DataIC50: 7.14E+4nMAssay Description:Inhibition of platelet COX1 in human whole blood assessed as inhibition of serum TXB2 production after 1 hr by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM50492039(CHEMBL2391052)
Show SMILES Cc1c(\C=N/O)cc(-c2ccc(cc2)S(C)(=O)=O)n1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C19H16F2N2O3S/c1-12-14(11-22-24)9-19(13-3-6-16(7-4-13)27(2,25)26)23(12)15-5-8-17(20)18(21)10-15/h3-11,24H,1-2H3/b22-11-
Affinity DataIC50: 1.61E+5nMAssay Description:Inhibition of platelet COX1 in human whole blood assessed as inhibition of serum TXB2 production after 1 hr by radioimmunoassayMore data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM11639(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)
Affinity DataIC50: 3.90E+5nMAssay Description:Inhibition of monocyte COX2 in human whole blood assessed as inhibition of LPS-induced plasma PGE2 production after 24 hrs by radioimmunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
Universit£ Sapienza

Curated by ChEMBL
LigandPNGBDBM11639(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)
Affinity DataIC50: 1.25E+7nMAssay Description:Inhibition of platelet COX1 in human whole blood assessed as inhibition of serum TXB2 production after 1 hr by radioimmunoassayMore data for this Ligand-Target Pair