Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50011196
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: 51nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More 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: 196nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50103510(4-(4-Azido-phenyl)-3-phenyl-5H-furan-2-one | CHEMB...)
Show SMILES [N-]=[N+]=Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2
Affinity DataIC50: 196nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More 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: 340nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50103509(1-(4-Azido-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F
Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23-25(15)14-8-6-13(7-9-14)22-24-21/h2-10H,1H3
Affinity DataIC50: 1.55E+3nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 2(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50103511(1-(4-Azido-phenyl)-3-p-tolyl-5-trifluoromethyl-1H-...)
Show SMILES Cc1ccc(cc1)-c1cc(n(n1)-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F
Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)25(23-15)14-8-6-13(7-9-14)22-24-21/h2-10H,1H3
Affinity DataIC50: 2.63E+3nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 2More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50103511(1-(4-Azido-phenyl)-3-p-tolyl-5-trifluoromethyl-1H-...)
Show SMILES Cc1ccc(cc1)-c1cc(n(n1)-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F
Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)25(23-15)14-8-6-13(7-9-14)22-24-21/h2-10H,1H3
Affinity DataIC50: 9.88E+3nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More 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:Inhibitory concentration against Prostaglandin G/H synthase 1More 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: 2.60E+4nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50103509(1-(4-Azido-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)N=[N+]=[N-])C(F)(F)F
Show InChI InChI=1S/C17H12F3N5/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23-25(15)14-8-6-13(7-9-14)22-24-21/h2-10H,1H3
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More 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: 1.60E+5nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair
TargetProstaglandin G/H synthase 1(Homo sapiens (Human))
University of Alberta

Curated by ChEMBL
LigandPNGBDBM50103510(4-(4-Azido-phenyl)-3-phenyl-5H-furan-2-one | CHEMB...)
Show SMILES [N-]=[N+]=Nc1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1
Show InChI InChI=1S/C16H11N3O2/c17-19-18-13-8-6-11(7-9-13)14-10-21-16(20)15(14)12-4-2-1-3-5-12/h1-9H,10H2
Affinity DataIC50: 1.60E+5nMAssay Description:Inhibitory concentration against Prostaglandin G/H synthase 1More data for this Ligand-Target Pair