Compile Data Set for Download or QSAR
Found 16 Enz. Inhib. hit(s) with all data for entry = 50012416
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118683(Acetic acid 4-[4-(4-methanesulfonyl-phenyl)-2-oxo-...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O6S/c1-12(20)25-15-7-3-14(4-8-15)18-17(11-24-19(18)21)13-5-9-16(10-6-13)26(2,22)23/h3-10H,11H2,1-2H3
Affinity DataIC50: 1.30nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118684(Acetic acid 3-[4-(4-methanesulfonyl-phenyl)-2-oxo-...)
Show SMILES CC(=O)Oc1cccc(c1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O6S/c1-12(20)25-15-5-3-4-14(10-15)18-17(11-24-19(18)21)13-6-8-16(9-7-13)26(2,22)23/h3-10H,11H2,1-2H3
Affinity DataIC50: 1.70nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118681(Acetic acid 2-[4-(4-methanesulfonyl-phenyl)-2-oxo-...)
Show SMILES CC(=O)Oc1ccccc1C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O6S/c1-12(20)25-17-6-4-3-5-15(17)18-16(11-24-19(18)21)13-7-9-14(10-8-13)26(2,22)23/h3-10H,11H2,1-2H3
Affinity DataIC50: 3.5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

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: 57nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataIC50: 428nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118682(3-(2-Hydroxy-phenyl)-4-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1O
Show InChI InChI=1S/C17H14O5S/c1-23(20,21)12-8-6-11(7-9-12)14-10-22-17(19)16(14)13-4-2-3-5-15(13)18/h2-9,18H,10H2,1H3
Affinity DataIC50: 1.83E+3nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118685(3-(3-Hydroxy-phenyl)-4-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1cccc(O)c1
Show InChI InChI=1S/C17H14O5S/c1-23(20,21)14-7-5-11(6-8-14)15-10-22-17(19)16(15)12-3-2-4-13(18)9-12/h2-9,18H,10H2,1H3
Affinity DataIC50: 3.96E+3nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

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: 2.29E+4nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118683(Acetic acid 4-[4-(4-methanesulfonyl-phenyl)-2-oxo-...)
Show SMILES CC(=O)Oc1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O6S/c1-12(20)25-15-7-3-14(4-8-15)18-17(11-24-19(18)21)13-5-9-16(10-6-13)26(2,22)23/h3-10H,11H2,1-2H3
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118681(Acetic acid 2-[4-(4-methanesulfonyl-phenyl)-2-oxo-...)
Show SMILES CC(=O)Oc1ccccc1C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O6S/c1-12(20)25-17-6-4-3-5-15(17)18-16(11-24-19(18)21)13-7-9-14(10-8-13)26(2,22)23/h3-10H,11H2,1-2H3
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118684(Acetic acid 3-[4-(4-methanesulfonyl-phenyl)-2-oxo-...)
Show SMILES CC(=O)Oc1cccc(c1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H16O6S/c1-12(20)25-15-5-3-4-14(10-15)18-17(11-24-19(18)21)13-6-8-16(9-7-13)26(2,22)23/h3-10H,11H2,1-2H3
Affinity DataIC50: 1.00E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118685(3-(3-Hydroxy-phenyl)-4-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1cccc(O)c1
Show InChI InChI=1S/C17H14O5S/c1-23(20,21)14-7-5-11(6-8-14)15-10-22-17(19)16(15)12-3-2-4-13(18)9-12/h2-9,18H,10H2,1H3
Affinity DataIC50: 2.50E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50094985(3-(4-Hydroxy-phenyl)-4-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O5S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-9,18H,10H2,1H3
Affinity DataIC50: 2.50E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50118682(3-(2-Hydroxy-phenyl)-4-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1O
Show InChI InChI=1S/C17H14O5S/c1-23(20,21)12-8-6-11(7-9-12)14-10-22-17(19)16(14)13-4-2-3-5-15(13)18/h2-9,18H,10H2,1H3
Affinity DataIC50: 2.50E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50094985(3-(4-Hydroxy-phenyl)-4-(4-methanesulfonyl-phenyl)-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccc(O)cc1
Show InChI InChI=1S/C17H14O5S/c1-23(20,21)14-8-4-11(5-9-14)15-10-22-17(19)16(15)12-2-6-13(18)7-3-12/h2-9,18H,10H2,1H3
Affinity DataIC50: 2.50E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 2 enzyme was determinedMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM22369(4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3
Affinity DataIC50: 5.00E+5nMAssay Description:In vitro inhibitory concentration of compound required to inhibit Prostaglandin G/H synthase 1 enzyme was determinedMore data for this Ligand-Target Pair