Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50462438
Substrate
n/a
Meas. Tech.
ChEMBL_1775423 (CHEMBL4232415)
EC50
2100±n/a nM
Citation
 Dou, XZ; Nath, D; Shin, Y; Ma, JX; Duerfeldt, AS Structure-guided evolution of a 2-phenyl-4-carboxyquinoline chemotype into PPAR? selective agonists: New leads for oculovascular conditions. Bioorg Med Chem Lett 28:2717-2722 (2018) [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:
BDBM50462438
Synonyms:
CHEMBL4237642
Type:
Small organic molecule
Emp. Form.:
C33H35NO7
Mol. Mass.:
557.6335
SMILES:
COc1ccc(COc2ccc(CNc3cccc(OC(C)(C)C(O)=O)c3)c(OCc3ccc(OC)cc3)c2)cc1
Structure:
Search PDB for entries with ligand similarity: