Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50013736
Substrate
n/a
Meas. Tech.
ChEMBL_1349374 (CHEMBL3269597)
IC50
6.6±n/a nM
Citation
 Bravo, Y; Baccei, CS; Broadhead, A; Bundey, R; Chen, A; Clark, R; Correa, L; Jacintho, JD; Lorrain, DS; Messmer, D; Stebbins, K; Prasit, P; Stock, N Identification of the first potent, selective and bioavailable PPARa antagonist. Bioorg Med Chem Lett 24:2267-72 (2014) [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:
BDBM50013736
Synonyms:
CHEMBL3264926
Type:
Small organic molecule
Emp. Form.:
C31H42N4O5S
Mol. Mass.:
582.754
SMILES:
CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O
Structure:
Search PDB for entries with ligand similarity: