Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50256109
Substrate
n/a
Meas. Tech.
ChEMBL_513557 (CHEMBL979053)
EC50
0.072±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:
BDBM50256109
Synonyms:
(2s,5s)-2-methyl-5-(4-((5-methyl-2-p-tolyloxazol-4-yl)methoxy)benzyl)-1,3-dioxane-2-carboxylic acid | 2-Methyl-c-5-[4-(5-methyl-2-(4-methylphenyl)oxazol-4-ylmethoxy)benzyl]-1,3-dioxane-s-2-carboxylic acid | CHEMBL481551
Type:
Small organic molecule
Emp. Form.:
C25H27NO6
Mol. Mass.:
437.485
SMILES:
Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:13.13,16.21,wD:16.17,(24.31,-36.45,;23.08,-35.51,;21.61,-35.96,;20.73,-34.69,;21.66,-33.46,;23.12,-33.97,;24.38,-33.1,;25.68,-33.93,;27.05,-33.22,;28.34,-34.06,;29.7,-33.35,;29.78,-31.81,;31.15,-31.11,;32.44,-31.94,;33.81,-31.22,;35.1,-32.06,;35.03,-33.6,;36.49,-34.04,;33.66,-34.3,;32.37,-33.47,;35.37,-35.09,;36.84,-35.55,;34.24,-36.14,;28.47,-30.98,;27.11,-31.69,;19.19,-34.65,;18.46,-33.3,;16.92,-33.27,;16.11,-34.58,;14.57,-34.55,;16.86,-35.94,;18.4,-35.97,)|
Structure:
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