Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50362960
Substrate
n/a
Meas. Tech.
ChEMBL_801274 (CHEMBL1947823)
IC50
>50000±n/a nM
Citation
 Liu, W; Lau, F; Liu, K; Wood, HB; Zhou, G; Chen, Y; Li, Y; Akiyama, TE; Castriota, G; Einstein, M; Wang, C; McCann, ME; Doebber, TW; Wu, M; Chang, CH; McNamara, L; McKeever, B; Mosley, RT; Berger, JP; Meinke, PT Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor¿ (PPAR¿) modulators. J Med Chem 54:8541-54 (2011) [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:
BDBM50362960
Synonyms:
CHEMBL1946953
Type:
Small organic molecule
Emp. Form.:
C26H19ClF3N3O6
Mol. Mass.:
561.894
SMILES:
COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(O[C@H](C)C(O)=O)ccc2Cl)c1=O)C(F)(F)F |r,wU:24.27,(27.26,-10.89,;25.93,-10.12,;24.59,-10.88,;24.59,-12.44,;23.24,-13.2,;21.91,-12.42,;20.45,-12.87,;19.55,-11.63,;20.46,-10.39,;21.92,-10.87,;23.26,-10.11,;19.69,-14.21,;18.22,-14.69,;16.89,-13.93,;15.56,-14.7,;15.56,-16.24,;16.89,-17.02,;18.23,-16.24,;19.7,-16.7,;19.73,-18.24,;21.07,-18.99,;22.38,-18.2,;23.73,-18.94,;25.04,-18.14,;26.39,-18.88,;26.42,-20.42,;27.71,-18.09,;29.06,-18.83,;27.68,-16.55,;23.76,-20.48,;22.44,-21.28,;21.09,-20.53,;19.77,-21.32,;20.6,-15.45,;22.14,-15.44,;14.22,-17.01,;12.89,-16.24,;14.22,-18.55,;12.88,-17.77,)|
Structure:
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