Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50373909
Substrate
n/a
Meas. Tech.
ChEMBL_468712 (CHEMBL929848)
EC50
30±n/a nM
Citation
 Asaki, T; Aoki, T; Hamamoto, T; Sugiyama, Y; Ohmachi, S; Kuwabara, K; Murakami, K; Todo, M Structure-activity studies on 1,3-dioxane-2-carboxylic acid derivatives, a novel class of subtype-selective peroxisome proliferator-activated receptor alpha (PPARalpha) agonists. Bioorg Med Chem 16:981-94 (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:
BDBM50373909
Synonyms:
CHEMBL272466
Type:
Small organic molecule
Emp. Form.:
C21H27NO5
Mol. Mass.:
373.4428
SMILES:
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1cccc(C)c1 |wU:10.10,13.18,wD:13.14,(20.47,-18.05,;19.22,-18.96,;17.76,-18.48,;16.85,-19.72,;17.75,-20.97,;19.22,-20.5,;20.46,-21.4,;21.87,-20.78,;23.11,-21.69,;24.52,-21.06,;25.77,-21.97,;27.17,-21.34,;28.41,-22.26,;28.24,-23.79,;28.63,-25.27,;26.83,-24.4,;25.59,-23.5,;29.72,-23.38,;30.81,-24.45,;30.11,-21.89,;15.31,-19.73,;14.54,-18.4,;13.01,-18.4,;12.24,-19.72,;13,-21.06,;12.22,-22.39,;14.53,-21.07,)|
Structure:
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