Compile Data Set for Download or QSAR
Found 3078 Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase'
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50028856(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
Affinity DataKi:  0.100nM IC50: 0.100nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451408(US10710967, Example 2)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccsc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C21H19ClN4O2S/c1-21(2,3)20(28)24-10-12-4-5-16(22)14(8-12)18-25-17(13-6-7-29-11-13)15(9-23)19(27)26-18/h4-8,11H,10H2,1-3H3,(H,24,28)(H,25,26,27)
Affinity DataIC50: 0.0100nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451407(US10710967, Example 1)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccc(Cl)cc2F)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C23H19Cl2FN4O2/c1-23(2,3)22(32)28-11-12-4-7-17(25)15(8-12)20-29-19(16(10-27)21(31)30-20)14-6-5-13(24)9-18(14)26/h4-9H,11H2,1-3H3,(H,28,32)(H,29,30,31)
Affinity DataIC50: 0.0200nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451438(US10710967, Example 20)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C22H20ClF2N3O3/c1-12(2)21(30)26-11-13-3-8-17(23)16(9-13)20-27-18(10-19(29)28-20)14-4-6-15(7-5-14)31-22(24)25/h3-10,12,22H,11H2,1-2H3,(H,26,30)(H,27,28,29)
Affinity DataIC50: 0.0600nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197627(US9216968, 227 | US9732066, 227)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccs1
Show InChI InChI=1S/C22H17F3N4O3S/c1-32-11-17-27-16-10-12(26-20(30)13-5-2-3-6-15(13)22(23,24)25)9-14(19(16)28-17)21(31)29-18-7-4-8-33-18/h2-10H,11H2,1H3,(H,26,30)(H,27,28)(H,29,31)
Affinity DataIC50: 0.100nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197590(US9216968, 190 | US9732066, 190)
Show SMILES COCC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H28Cl3N5O3/c1-15-20(30)6-5-7-22(15)34-26(38)19-11-17(33-25(37)18-10-16(29)8-9-21(18)31)12-23-24(19)36-27(35-23)32-13-28(2,3)14-39-4/h5-12H,13-14H2,1-4H3,(H,33,37)(H,34,38)(H2,32,35,36)
Affinity DataIC50: 0.100nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50028856(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human recombinant mPGES-1 expressed in CHO cells using PGH2 as substrate incubated for 10 mins prior to substrate addition measured aft...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50532250(CHEMBL4444875)
Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12
Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by additio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50532250(CHEMBL4444875)
Show SMILES Cn1c(Nc2cc(CNC(=O)C3(CC3)C(F)(F)F)ccc2Cl)nc2cc(C(=O)NCC3CC3)c(OCC(F)F)cc12
Show InChI InChI=1S/C27H27ClF5N5O3/c1-38-20-10-21(41-13-22(29)30)16(23(39)34-11-14-2-3-14)9-19(20)37-25(38)36-18-8-15(4-5-17(18)28)12-35-24(40)26(6-7-26)27(31,32)33/h4-5,8-10,14,22H,2-3,6-7,11-13H2,1H3,(H,34,39)(H,35,40)(H,36,37)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of human mPGES-1 expressed in CHO-K1 cells using PGH2 as substrate assessed as PGE2 formation preincubated for 20 mins followed by additio...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50028856(CHEMBL3342696 | US9216968, 113 | US9732066, 113)
Show SMILES COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
Affinity DataIC50: 0.100nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197590(US9216968, 190 | US9732066, 190)
Show SMILES COCC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C28H28Cl3N5O3/c1-15-20(30)6-5-7-22(15)34-26(38)19-11-17(33-25(37)18-10-16(29)8-9-21(18)31)12-23-24(19)36-27(35-23)32-13-28(2,3)14-39-4/h5-12H,13-14H2,1-4H3,(H,33,37)(H,34,38)(H2,32,35,36)
Affinity DataIC50: 0.100nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197627(US9216968, 227 | US9732066, 227)
Show SMILES COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccs1
Show InChI InChI=1S/C22H17F3N4O3S/c1-32-11-17-27-16-10-12(26-20(30)13-5-2-3-6-15(13)22(23,24)25)9-14(19(16)28-17)21(31)29-18-7-4-8-33-18/h2-10H,11H2,1H3,(H,26,30)(H,27,28)(H,29,31)
Affinity DataIC50: 0.100nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451427(US10710967, Example 22)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1sccc1F
Show InChI InChI=1S/C19H17ClFN3O2S/c1-10(2)19(26)22-9-11-3-4-13(20)12(7-11)18-23-15(8-16(25)24-18)17-14(21)5-6-27-17/h3-8,10H,9H2,1-2H3,(H,22,26)(H,23,24,25)
Affinity DataIC50: 0.110nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451477(US10710967, Example 74)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(cc1)C1CC1
Show InChI InChI=1S/C24H24ClN3O2/c1-14(2)24(30)26-13-15-3-10-20(25)19(11-15)23-27-21(12-22(29)28-23)18-8-6-17(7-9-18)16-4-5-16/h3,6-12,14,16H,4-5,13H2,1-2H3,(H,26,30)(H,27,28,29)
Affinity DataIC50: 0.110nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451447(US10710967, Example 43)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1cnc(s1)C(F)(F)F
Show InChI InChI=1S/C19H16ClF3N4O2S/c1-9(2)17(29)24-7-10-3-4-12(20)11(5-10)16-26-13(6-15(28)27-16)14-8-25-18(30-14)19(21,22)23/h3-6,8-9H,7H2,1-2H3,(H,24,29)(H,26,27,28)
Affinity DataIC50: 0.130nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451418(US10710967, Example 12)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O2/c1-11(2)20(31)27-9-12-3-5-15(22)14(7-12)19-28-17(8-18(30)29-19)16-6-4-13(10-26-16)21(23,24)25/h3-8,10-11H,9H2,1-2H3,(H,27,31)(H,28,29,30)
Affinity DataIC50: 0.180nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50393040(CHEMBL2152710)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Br)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19BrN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
Affinity DataIC50: 0.198nMAssay Description:Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysisMore data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197477(US9216968, 76 | US9732066, 76)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C(C)(C)C
Show InChI InChI=1S/C27H24ClF3N4O2/c1-14-19(28)10-7-11-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2,3)4)32-23(36)16-8-5-6-9-18(16)27(29,30)31/h5-13H,1-4H3,(H,32,36)(H,33,37)(H,34,35)
Affinity DataIC50: 0.200nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197540(US9216968, 140 | US9732066, 140)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)C)nc12
Show InChI InChI=1S/C28H27ClF3N5O2/c1-15-20(29)10-7-11-21(15)35-25(39)18-12-16(13-22-23(18)37-26(36-22)33-14-27(2,3)4)34-24(38)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,34,38)(H,35,39)(H2,33,36,37)
Affinity DataIC50: 0.200nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197477(US9216968, 76 | US9732066, 76)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C(C)(C)C
Show InChI InChI=1S/C27H24ClF3N4O2/c1-14-19(28)10-7-11-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2,3)4)32-23(36)16-8-5-6-9-18(16)27(29,30)31/h5-13H,1-4H3,(H,32,36)(H,33,37)(H,34,35)
Affinity DataIC50: 0.200nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197540(US9216968, 140 | US9732066, 140)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCC(C)(C)C)nc12
Show InChI InChI=1S/C28H27ClF3N5O2/c1-15-20(29)10-7-11-21(15)35-25(39)18-12-16(13-22-23(18)37-26(36-22)33-14-27(2,3)4)34-24(38)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,34,38)(H,35,39)(H2,33,36,37)
Affinity DataIC50: 0.200nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50393042(CHEMBL2152712)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19ClN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
Affinity DataIC50: 0.241nMAssay Description:Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysisMore data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50393040(CHEMBL2152710)
Show SMILES CC(C)(C)C(=O)NCc1ccc(Br)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C16H19BrN4O2/c1-16(2,3)14(23)20-9-10-4-5-12(17)11(8-10)13(22)21-15-18-6-7-19-15/h4-8H,9H2,1-3H3,(H,20,23)(H2,18,19,21,22)
Affinity DataIC50: 0.284nMAssay Description:Inhibition of mPGES1 in rhIL-1beta-stimulated human A549 cells assessed as PGE2 level treated for 18 hrs after 30 mins pre-incubation with rhIL-1beta...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197535(US9216968, 135 | US9732066, 135)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(Cl)nc12
Show InChI InChI=1S/C23H15Cl2F3N4O2/c1-11-16(24)7-4-8-17(11)30-21(34)14-9-12(10-18-19(14)32-22(25)31-18)29-20(33)13-5-2-3-6-15(13)23(26,27)28/h2-10H,1H3,(H,29,33)(H,30,34)(H,31,32)
Affinity DataIC50: 0.300nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197576(US9216968, 176 | US9732066, 176)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCOC(C)(C)C)nc12
Show InChI InChI=1S/C29H29ClF3N5O3/c1-16-21(30)10-7-11-22(16)36-26(40)19-14-17(35-25(39)18-8-5-6-9-20(18)29(31,32)33)15-23-24(19)38-27(37-23)34-12-13-41-28(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,35,39)(H,36,40)(H2,34,37,38)
Affinity DataIC50: 0.300nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197564(US9216968, 164 | US9732066, 164)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCCC1
Show InChI InChI=1S/C27H23ClF3N5O2/c1-15-20(28)9-6-10-21(15)33-25(38)18-13-16(14-22-23(18)35-26(34-22)36-11-4-5-12-36)32-24(37)17-7-2-3-8-19(17)27(29,30)31/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,32,37)(H,33,38)(H,34,35)
Affinity DataIC50: 0.300nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197535(US9216968, 135 | US9732066, 135)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(Cl)nc12
Show InChI InChI=1S/C23H15Cl2F3N4O2/c1-11-16(24)7-4-8-17(11)30-21(34)14-9-12(10-18-19(14)32-22(25)31-18)29-20(33)13-5-2-3-6-15(13)23(26,27)28/h2-10H,1H3,(H,29,33)(H,30,34)(H,31,32)
Affinity DataIC50: 0.300nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197564(US9216968, 164 | US9732066, 164)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCCC1
Show InChI InChI=1S/C27H23ClF3N5O2/c1-15-20(28)9-6-10-21(15)33-25(38)18-13-16(14-22-23(18)35-26(34-22)36-11-4-5-12-36)32-24(37)17-7-2-3-8-19(17)27(29,30)31/h2-3,6-10,13-14H,4-5,11-12H2,1H3,(H,32,37)(H,33,38)(H,34,35)
Affinity DataIC50: 0.300nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197576(US9216968, 176 | US9732066, 176)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCOC(C)(C)C)nc12
Show InChI InChI=1S/C29H29ClF3N5O3/c1-16-21(30)10-7-11-22(16)36-26(40)19-14-17(35-25(39)18-8-5-6-9-20(18)29(31,32)33)15-23-24(19)38-27(37-23)34-12-13-41-28(2,3)4/h5-11,14-15H,12-13H2,1-4H3,(H,35,39)(H,36,40)(H2,34,37,38)
Affinity DataIC50: 0.300nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451429(US10710967, Example 24)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C22H19ClF3N3O3/c1-12(2)21(31)27-11-13-3-8-17(23)16(9-13)20-28-18(10-19(30)29-20)14-4-6-15(7-5-14)32-22(24,25)26/h3-10,12H,11H2,1-2H3,(H,27,31)(H,28,29,30)
Affinity DataIC50: 0.310nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50142264(CHEMBL3758186)
Show SMILES CCC(C)(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Show InChI InChI=1S/C17H21ClN4O2/c1-4-17(2,3)15(24)21-10-11-5-6-13(18)12(9-11)14(23)22-16-19-7-8-20-16/h5-9H,4,10H2,1-3H3,(H,21,24)(H2,19,20,22,23)
Affinity DataIC50: 0.385nMAssay Description:Inhibition of human microsomal PGES1 expressed in 293E cells by LC/MS/MS analysisMore data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50302429(2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1...)
Show SMILES CC(C)CCOc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C32H30N4O2/c1-19(2)12-13-38-23-9-11-25-27(15-23)26-14-20(16-32(3,4)37)8-10-24(26)29-30(25)36-31(35-29)28-21(17-33)6-5-7-22(28)18-34/h5-11,14-15,19,37H,12-13,16H2,1-4H3,(H,35,36)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using...More data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM50302429(2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1...)
Show SMILES CC(C)CCOc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N
Show InChI InChI=1S/C32H30N4O2/c1-19(2)12-13-38-23-9-11-25-27(15-23)26-14-20(16-32(3,4)37)8-10-24(26)29-30(25)36-31(35-29)28-21(17-33)6-5-7-22(28)18-34/h5-11,14-15,19,37H,12-13,16H2,1-4H3,(H,35,36)
Affinity DataIC50: 0.400nMAssay Description:Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cellsMore data for this Ligand-Target Pair
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197542(US9216968, 142 | US9732066, 142)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCCCC1
Show InChI InChI=1S/C28H25ClF3N5O2/c1-16-21(29)10-7-11-22(16)34-26(39)19-14-17(33-25(38)18-8-3-4-9-20(18)28(30,31)32)15-23-24(19)36-27(35-23)37-12-5-2-6-13-37/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,33,38)(H,34,39)(H,35,36)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197541(US9216968, 141 | US9732066, 141)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NC3CCCC3)nc12
Show InChI InChI=1S/C28H25ClF3N5O2/c1-15-21(29)11-6-12-22(15)35-26(39)19-13-17(33-25(38)18-9-4-5-10-20(18)28(30,31)32)14-23-24(19)37-27(36-23)34-16-7-2-3-8-16/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,38)(H,35,39)(H2,34,36,37)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197483(US9216968, 82 | US9732066, 82)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(C)(C)C)nc12
Show InChI InChI=1S/C28H26ClF3N4O2/c1-15-20(29)10-7-11-21(15)35-26(38)18-12-16(13-22-24(18)36-23(34-22)14-27(2,3)4)33-25(37)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197594(US9216968, 194 | US9732066, 194)
Show SMILES CC(C)OCCNc1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H26Cl2FN5O3/c1-14(2)38-11-10-31-27-34-22-13-16(32-26(37)23-19(29)7-4-8-20(23)30)12-17(24(22)35-27)25(36)33-21-9-5-6-18(28)15(21)3/h4-9,12-14H,10-11H2,1-3H3,(H,32,37)(H,33,36)(H2,31,34,35)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197593(US9216968, 193 | US9732066, 193)
Show SMILES CC(C)OCCNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H26Cl3N5O3/c1-14(2)38-10-9-31-27-34-23-13-17(32-25(36)18-11-16(28)7-8-21(18)30)12-19(24(23)35-27)26(37)33-22-6-4-5-20(29)15(22)3/h4-8,11-14H,9-10H2,1-3H3,(H,32,36)(H,33,37)(H2,31,34,35)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197594(US9216968, 194 | US9732066, 194)
Show SMILES CC(C)OCCNc1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H26Cl2FN5O3/c1-14(2)38-11-10-31-27-34-22-13-16(32-26(37)23-19(29)7-4-8-20(23)30)12-17(24(22)35-27)25(36)33-21-9-5-6-18(28)15(21)3/h4-9,12-14H,10-11H2,1-3H3,(H,32,37)(H,33,36)(H2,31,34,35)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197483(US9216968, 82 | US9732066, 82)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(CC(C)(C)C)nc12
Show InChI InChI=1S/C28H26ClF3N4O2/c1-15-20(29)10-7-11-21(15)35-26(38)18-12-16(13-22-24(18)36-23(34-22)14-27(2,3)4)33-25(37)17-8-5-6-9-19(17)28(30,31)32/h5-13H,14H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197593(US9216968, 193 | US9732066, 193)
Show SMILES CC(C)OCCNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C27H26Cl3N5O3/c1-14(2)38-10-9-31-27-34-23-13-17(32-25(36)18-11-16(28)7-8-21(18)30)12-19(24(23)35-27)26(37)33-22-6-4-5-20(29)15(22)3/h4-8,11-14H,9-10H2,1-3H3,(H,32,36)(H,33,37)(H2,31,34,35)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197541(US9216968, 141 | US9732066, 141)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NC3CCCC3)nc12
Show InChI InChI=1S/C28H25ClF3N5O2/c1-15-21(29)11-6-12-22(15)35-26(39)19-13-17(33-25(38)18-9-4-5-10-20(18)28(30,31)32)14-23-24(19)37-27(36-23)34-16-7-2-3-8-16/h4-6,9-14,16H,2-3,7-8H2,1H3,(H,33,38)(H,35,39)(H2,34,36,37)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197542(US9216968, 142 | US9732066, 142)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)N1CCCCC1
Show InChI InChI=1S/C28H25ClF3N5O2/c1-16-21(29)10-7-11-22(16)34-26(39)19-14-17(33-25(38)18-8-3-4-9-20(18)28(30,31)32)15-23-24(19)36-27(35-23)37-12-5-2-6-13-37/h3-4,7-11,14-15H,2,5-6,12-13H2,1H3,(H,33,38)(H,34,39)(H,35,36)
Affinity DataIC50: 0.400nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451409(US10710967, Example 3)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(-c2ccsc2)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C20H17ClN4O2S/c1-11(2)19(26)23-9-12-3-4-16(21)14(7-12)18-24-17(13-5-6-28-10-13)15(8-22)20(27)25-18/h3-7,10-11H,9H2,1-2H3,(H,23,26)(H,24,25,27)
Affinity DataIC50: 0.480nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM451413(US10710967, Example 7)
Show SMILES CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(Cl)cn1
Show InChI InChI=1S/C20H18Cl2N4O2/c1-11(2)20(28)24-9-12-3-5-15(22)14(7-12)19-25-17(8-18(27)26-19)16-6-4-13(21)10-23-16/h3-8,10-11H,9H2,1-2H3,(H,24,28)(H,25,26,27)
Affinity DataIC50: 0.480nMAssay Description:Microsomes were prepared from COS-1 cells transiently transfected with a plasmid containing human mPGES-1 cDNA, and used as mPGES-1 enzyme. The mPGES...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197486(US9216968, 85 | US9732066, 85)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1(C)CC1
Show InChI InChI=1S/C27H22ClF3N4O2/c1-14-19(28)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2)10-11-26)32-23(36)16-6-3-4-7-18(16)27(29,30)31/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)
Affinity DataIC50: 0.5nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197458(US9216968, 57 | US9732066, 57)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C(C)(C)CCl
Show InChI InChI=1S/C27H23Cl2F3N4O2/c1-14-19(29)9-6-10-20(14)34-24(38)17-11-15(12-21-22(17)36-25(35-21)26(2,3)13-28)33-23(37)16-7-4-5-8-18(16)27(30,31)32/h4-12H,13H2,1-3H3,(H,33,37)(H,34,38)(H,35,36)
Affinity DataIC50: 0.5nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197601(US9216968, 201 | US9732066, 201)
Show SMILES CC(C)C(CO)Nc1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Affinity DataIC50: 0.5nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197486(US9216968, 85 | US9732066, 85)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C1(C)CC1
Show InChI InChI=1S/C27H22ClF3N4O2/c1-14-19(28)8-5-9-20(14)33-24(37)17-12-15(13-21-22(17)35-25(34-21)26(2)10-11-26)32-23(36)16-6-3-4-7-18(16)27(29,30)31/h3-9,12-13H,10-11H2,1-2H3,(H,32,36)(H,33,37)(H,34,35)
Affinity DataIC50: 0.5nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetProstaglandin E synthase(Homo sapiens (Human))
Nippon Shinyaku Co. Ltd

US Patent
LigandPNGBDBM197458(US9216968, 57 | US9732066, 57)
Show SMILES Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(nc12)C(C)(C)CCl
Show InChI InChI=1S/C27H23Cl2F3N4O2/c1-14-19(29)9-6-10-20(14)34-24(38)17-11-15(12-21-22(17)36-25(35-21)26(2,3)13-28)33-23(37)16-7-4-5-8-18(16)27(30,31)32/h4-12H,13H2,1-3H3,(H,33,37)(H,34,38)(H,35,36)
Affinity DataIC50: 0.5nMAssay Description:mPGES-1 microsome fractions were prepared from CHO-K1 cells transiently transfected with plasmid encoding the human mPGES-1cDNA. Microsomes were dilu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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