Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50133657
Substrate
n/a
Meas. Tech.
ChEBML_153536
IC50
62±n/a nM
Citation
 Desai, RC; Gratale, DF; Han, W; Koyama, H; Metzger, E; Lombardo, VK; MacNaul, KL; Doebber, TW; Berger, JP; Leung, K; Franklin, R; Moller, DE; Heck, JV; Sahoo, SP Aryloxazolidinediones: identification of potent orally active PPAR dual alpha/gamma agonists. Bioorg Med Chem Lett 13:3541-4 (2003) [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:
BDBM50133657
Synonyms:
5-{3-[3-(4-Cyclohexylidenemethyl-2-propyl-phenoxy)-propoxy]-phenyl}-thiazolidine-2,4-dione | CHEMBL117738
Type:
Small organic molecule
Emp. Form.:
C28H33NO4S
Mol. Mass.:
479.631
SMILES:
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O |(11.71,-3.06,;11.71,-1.52,;10.37,-.75,;10.37,.79,;11.7,1.56,;11.7,3.1,;13.03,3.89,;14.37,3.1,;15.69,3.89,;17.03,3.1,;17.03,1.56,;15.69,.79,;14.37,1.56,;10.36,3.87,;9.04,3.1,;9.04,1.56,;7.71,.79,;6.38,1.56,;5.05,.79,;3.71,1.56,;2.38,.77,;1.03,1.54,;1.03,3.1,;-.3,3.87,;-1.63,3.08,;-1.63,1.54,;-.3,.77,;-2.96,.77,;-4.36,1.4,;-5.39,.26,;-6.92,.42,;-4.62,-1.08,;-3.12,-.75,;-1.98,-1.78,)|
Structure:
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