Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50261703
Substrate
n/a
Meas. Tech.
ChEMBL_513557 (CHEMBL979053)
EC50
0.089±n/a nM
Citation
 Pingali, H; Jain, M; Shah, S; Makadia, P; Zaware, P; Goel, A; Patel, M; Giri, S; Patel, H; Patel, P Design and synthesis of novel oxazole containing 1,3-dioxane-2-carboxylic acid derivatives as PPAR alpha/gamma dual agonists. Bioorg Med Chem 16:7117-27 (2008) [PubMed]  Article 
Target
Name:
Peroxisome proliferator-activated receptor alpha
Synonyms:
NR1C1 | Nuclear receptor subfamily 1 group C member 1 | PPAR | PPAR alpha/gamma | PPAR-alpha | PPARA | PPARA_HUMAN | Peroxisome Proliferator-Activated Receptor alpha | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor alpha (PPAR alpha)
Type:
Enzyme
Mol. Mass.:
52222.08
Organism:
Homo sapiens (Human)
Description:
Q07869
Residue:
468
Sequence:
MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFGFTEYQYLGSCPGSDGSVITDTLSPASSPSSVTYPVVPGSVDESPSGALNIECRICGDKASGYHYGVHACEGCKGFFRRTIRLKLVYDKCDRSCKIQKKNRNKCQYCRFHKCLSVGMSHNAIRFGRMPRSEKAKLKAEILTCEHDIEDSETADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY
  
Inhibitor
Name:
BDBM50261703
Synonyms:
2-Methyl-c-5-{4-[2-(5-methyl-2-(4-methylphenyl)oxazol-4-yl)ethoxy]benzyl}-1,3-dioxane-s-2-carboxylic acid | CHEMBL513145
Type:
Small organic molecule
Emp. Form.:
C26H29NO6
Mol. Mass.:
451.5116
SMILES:
Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:17.22,14.14,wD:17.18,(19.1,-51.29,;19.48,-49.8,;18.49,-48.61,;19.32,-47.31,;20.81,-47.69,;20.92,-49.23,;22.22,-50.05,;23.58,-49.34,;24.88,-50.16,;26.25,-49.45,;27.54,-50.28,;28.91,-49.56,;28.97,-48.02,;30.33,-47.3,;31.64,-48.13,;32.99,-47.4,;34.29,-48.23,;34.23,-49.77,;35.71,-49.39,;32.86,-50.48,;31.57,-49.66,;34.64,-51.25,;36.14,-51.63,;33.57,-52.35,;27.66,-47.2,;26.3,-47.92,;18.75,-45.88,;19.71,-44.68,;19.14,-43.25,;17.62,-43.02,;17.05,-41.59,;16.66,-44.24,;17.23,-45.67,)|
Structure:
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