Compile Data Set for Download or QSAR
Found 16 Enz. Inhib. hit(s) with all data for entry = 50044092
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

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: 70nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50001749(CHEMBL3238416)
Show SMILES Cc1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15NO4S/c1-11-2-4-13(5-3-11)16-15(10-22-17(16)19)12-6-8-14(9-7-12)23(18,20)21/h2-9H,10H2,1H3,(H2,18,20,21)
Affinity DataIC50: 110nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50224109(1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3
Affinity DataIC50: 130nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50057518(4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)
Affinity DataIC50: 160nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50001748(CHEMBL3238415)
Show SMILES Cc1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O4S/c1-12-3-5-14(6-4-12)17-16(11-22-18(17)19)13-7-9-15(10-8-13)23(2,20)21/h3-10H,11H2,1-2H3
Affinity DataIC50: 300nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

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: 360nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

Curated by ChEMBL
LigandPNGBDBM50001746(CHEMBL3238414)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-25(23,24)14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3
Affinity DataIC50: 6.84E+3nMAssay Description:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

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: 1.17E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

Curated by ChEMBL
LigandPNGBDBM50057518(4-(5-Phenyl-3-trifluoromethyl-pyrazol-1-yl)-benzen...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-10-14(11-4-2-1-3-5-11)22(21-15)12-6-8-13(9-7-12)25(20,23)24/h1-10H,(H2,20,23,24)
Affinity DataIC50: 2.13E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

Curated by ChEMBL
LigandPNGBDBM50001749(CHEMBL3238416)
Show SMILES Cc1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H15NO4S/c1-11-2-4-13(5-3-11)16-15(10-22-17(16)19)12-6-8-14(9-7-12)23(18,20)21/h2-9H,10H2,1H3,(H2,18,20,21)
Affinity DataIC50: 3.85E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

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:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

Curated by ChEMBL
LigandPNGBDBM50001746(CHEMBL3238414)
Show SMILES CS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2S/c1-25(23,24)14-9-7-13(8-10-14)22-15(12-5-3-2-4-6-12)11-16(21-22)17(18,19)20/h2-11H,1H3
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

Curated by ChEMBL
LigandPNGBDBM50224109(1-(4-(methylsulfonyl)phenyl)-5-p-tolyl-3-(trifluor...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C18H15F3N2O2S/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)26(2,24)25/h3-11H,1-2H3
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
Keio University

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:Inhibition of human recombinant COX-2 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

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:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Ovis aries (Sheep))
Keio University

Curated by ChEMBL
LigandPNGBDBM50001748(CHEMBL3238415)
Show SMILES Cc1ccc(cc1)C1=C(COC1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C18H16O4S/c1-12-3-5-14(6-4-12)17-16(11-22-18(17)19)13-7-9-15(10-8-13)23(2,20)21/h3-10H,11H2,1-2H3
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of purified ovine COX-1 by enzyme immunoassayMore data for this Ligand-Target Pair