Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) for PDB: 3G8I
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50277782(2-methoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)
Affinity DataIC50: 28nMAssay Description:Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50277897((2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxaz...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
Affinity DataIC50: 38nMAssay Description:Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Mus musculus)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50277897((2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxaz...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
Affinity DataEC50:  2.34E+3nMAssay Description:Agonist activity at mouse PPARalphaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50277897((2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxaz...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
Affinity DataEC50:  50nMAssay Description:Agonist activity at human PPARalpha by luciferase reporter transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50277782(2-methoxy-3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)et...)
Show SMILES COC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)
Affinity DataEC50:  103nMAssay Description:Agonist activity at human PPARalpha by luciferase reporter transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Rattus norvegicus)
F. Hoffmann-La Roche Inc

Curated by ChEMBL
LigandPNGBDBM50277897((2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxaz...)
Show SMILES CO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)c2ccsc12)C(O)=O
Show InChI InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
Affinity DataEC50:  2.26E+3nMAssay Description:Agonist activity at rat PPARalphaMore data for this Ligand-Target Pair