Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor alpha
Ligand
BDBM50225835
Substrate
n/a
Meas. Tech.
ChEMBL_519278 (CHEMBL947730)
EC50
52±n/a nM
Citation
 Pingali, H; Jain, M; Shah, S; Patil, P; Makadia, P; Zaware, P; Sairam, KV; Jamili, J; Goel, A; Patel, M; Patel, P Modulation of PPAR receptor subtype selectivity of the ligands: aliphatic chain vs aromatic ring as a spacer between pharmacophore and the lipophilic moiety. Bioorg Med Chem Lett 18:6471-5 (2008) [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:
BDBM50225835
Synonyms:
(2s,5s)-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-yl)butyl)-1,3-dioxane-2-carboxylic acid | 2-methyl-c-5-{4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl}-1,3-dioxane-r-2-carboxylicacid | CHEMBL270960 | cis-2-methyl-5-(4-(5-methyl-2-p-tolyloxazol-4-yl)butyl)-1,3-dioxane-2-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C21H27NO5
Mol. Mass.:
373.4428
SMILES:
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1 |r,wU:10.10,13.18,wD:13.14,(.84,-5.21,;-.3,-6.25,;-1.81,-5.93,;-2.58,-7.27,;-1.54,-8.41,;-.13,-7.78,;1.21,-8.54,;2.54,-7.78,;3.88,-8.54,;5.21,-7.77,;6.55,-8.54,;7.87,-7.77,;9.2,-8.55,;9.2,-10.09,;10.74,-10.08,;7.87,-10.85,;6.54,-10.08,;9.19,-11.62,;10.52,-12.4,;7.86,-12.38,;-4.11,-7.44,;-5.01,-6.19,;-6.54,-6.36,;-7.17,-7.77,;-8.7,-7.93,;-6.25,-9.01,;-4.72,-8.84,)|
Structure:
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