Reaction Details
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Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50231507
Substrate
n/a
Meas. Tech.
ChEMBL_856683 (CHEMBL2162354)
EC50
54±n/a nM
Citation
Ohashi, M; Nakagome, I; Kasuga, J; Nobusada, H; Matsuno, K; Makishima, M; Hirono, S; Hashimoto, Y; Miyachi, H Design, synthesis and in vitro evaluation of a series ofa-substituted phenylpropanoic acid PPAR¿ agonists to further investigate the stereochemistry-activity relationship. Bioorg Med Chem 20:6375-83 (2012) [PubMed] Article More Info.:
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:
BDBM50231507
Synonyms:
(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid | (S)-2-{3-[(4-adamantan-1-yl-benzoylamino)-methyl]-4-propoxy-benzyl}-butyric acid | CHEMBL402840
Type:
Small organic molecule
Emp. Form.:
C32H41NO4
Mol. Mass.:
503.6722
SMILES:
CCCOc1ccc(C[C@H](CC)C(O)=O)cc1CNC(=O)c1ccc(cc1)C12CC3CC(CC(C3)C1)C2 |r,TLB:24:27:30.29.34:32,THB:28:29:32:36.27.35,28:27:30.29.34:32,35:27:30:34.33.32,35:33:30:36.28.27,24:27:30:34.33.32|
Structure:
