Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50362961
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:
BDBM50362961
Synonyms:
CHEMBL1946954
Type:
Small organic molecule
Emp. Form.:
C26H20F3N3O6
Mol. Mass.:
527.4487
SMILES:
COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cccc(O[C@H](C)C(O)=O)c2)c1=O)C(F)(F)F |r,wU:26.29,(4.4,-26.44,;3.07,-25.67,;1.73,-26.43,;1.73,-27.98,;.38,-28.75,;-.95,-27.97,;-2.41,-28.42,;-3.31,-27.18,;-2.4,-25.94,;-.93,-26.42,;.4,-25.66,;-3.17,-29.76,;-4.63,-30.24,;-5.97,-29.48,;-7.3,-30.25,;-7.3,-31.79,;-5.97,-32.56,;-4.63,-31.78,;-3.16,-32.25,;-3.13,-33.79,;-1.78,-34.54,;-1.77,-36.08,;-.42,-36.82,;.9,-36.03,;.87,-34.48,;2.19,-33.69,;3.53,-34.43,;3.57,-35.97,;4.85,-33.63,;6.2,-34.38,;4.82,-32.09,;-.48,-33.74,;-2.26,-31,;-.72,-30.99,;-8.63,-32.56,;-9.97,-31.79,;-8.64,-34.1,;-9.98,-33.32,)|
Structure:
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