Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for entry = 50038030
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50134840((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
Affinity DataEC50:  2.60E+3nMAssay Description:Agonist activity at human PPARgamma by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50134840((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
Affinity DataEC50:  6.40E+3nMAssay Description:Agonist activity at human PPARdelta by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50215120(2-(2-methyl-4-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4...)
Show SMILES Cc1cc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H25F3N2O4S/c1-21-17-26(10-11-28(21)39-20-29(36)37)40-27-18-24(3-2-12-35-13-15-38-16-14-35)34-25(19-27)9-6-22-4-7-23(8-5-22)30(31,32)33/h4-5,7-8,10-11,17-19H,12-16,20H2,1H3,(H,36,37)
Affinity DataEC50:  5.50E+3nMAssay Description:Agonist activity at human PPARgamma by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
Affinity DataEC50:  300nMAssay Description:Agonist activity at human PPARgamma by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM28661(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human PPARgamma by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50215122(2-(7-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4-(trifluo...)
Show SMILES OC(=O)COc1ccc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)c2CCCc12
Show InChI InChI=1S/C32H27F3N2O4S/c33-32(34,35)23-9-6-22(7-10-23)8-11-25-20-26(19-24(36-25)3-2-14-37-15-17-40-18-16-37)42-30-13-12-29(41-21-31(38)39)27-4-1-5-28(27)30/h6-7,9-10,12-13,19-20H,1,4-5,14-18,21H2,(H,38,39)
Affinity DataEC50:  130nMAssay Description:Agonist activity at human PPARdelta by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM28681(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
Affinity DataEC50: >1.00E+4nMAssay Description:Agonist activity at human PPARalpha by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50215120(2-(2-methyl-4-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4...)
Show SMILES Cc1cc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H25F3N2O4S/c1-21-17-26(10-11-28(21)39-20-29(36)37)40-27-18-24(3-2-12-35-13-15-38-16-14-35)34-25(19-27)9-6-22-4-7-23(8-5-22)30(31,32)33/h4-5,7-8,10-11,17-19H,12-16,20H2,1H3,(H,36,37)
Affinity DataEC50:  50nMAssay Description:Agonist activity at human PPARdelta by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor delta(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM28661(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
Affinity DataEC50:  8nMAssay Description:Agonist activity at human PPARdelta by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50134840((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
Affinity DataEC50:  10nMAssay Description:Agonist activity at human PPARalpha by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM50215120(2-(2-methyl-4-(2-(3-morpholinoprop-1-ynyl)-6-(2-(4...)
Show SMILES Cc1cc(Sc2cc(nc(c2)C#Cc2ccc(cc2)C(F)(F)F)C#CCN2CCOCC2)ccc1OCC(O)=O
Show InChI InChI=1S/C30H25F3N2O4S/c1-21-17-26(10-11-28(21)39-20-29(36)37)40-27-18-24(3-2-12-35-13-15-38-16-14-35)34-25(19-27)9-6-22-4-7-23(8-5-22)30(31,32)33/h4-5,7-8,10-11,17-19H,12-16,20H2,1H3,(H,36,37)
Affinity DataEC50:  100nMAssay Description:Agonist activity at human PPARalpha by transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Novo Nordisk A/S

Curated by ChEMBL
LigandPNGBDBM28661(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
Affinity DataEC50:  3.90E+3nMAssay Description:Agonist activity at human PPARalpha by transactivation assayMore data for this Ligand-Target Pair