Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor delta
Ligand
BDBM50508143
Substrate
n/a
Meas. Tech.
ChEMBL_1832146 (CHEMBL4332154)
IC50
40±n/a nM
Citation
 Jacintho, JD; Baccei, CS; Bravo, Y; Broadhead, A; Chen, A; Correa, L; Fischer, K; Laffitte, B; Lee, C; Lorrain, DS; Messmer, D; Prasit, P; Stebbins, KJ; Stock, NS Discovery of potent and selective PPAR?/? dual antagonists and initial biological studies. Bioorg Med Chem Lett 29:503-508 (2019) [PubMed]  Article 
Target
Name:
Peroxisome proliferator-activated receptor delta
Synonyms:
NR1C2 | NUC1 | NUCI | Nuclear hormone receptor 1 | Nuclear receptor subfamily 1 group C member 2 | PPAR delta | PPAR-beta | PPARB | PPARD | PPARD_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor beta | Peroxisome proliferator-activated receptor delta
Type:
Enzyme
Mol. Mass.:
49910.45
Organism:
Human
Description:
Q03181
Residue:
441
Sequence:
MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSSPPSLLDQLQMGCDGASCGSLNMECRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYEKCERSCKIQKKNRNKCQYCRFQKCLALGMSHNAIRFGRMPEAEKRKLVAGLTANEGSQYNPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY
  
Inhibitor
Name:
BDBM50508143
Synonyms:
CHEMBL4443720
Type:
Small organic molecule
Emp. Form.:
C35H32F3N3O4
Mol. Mass.:
615.6415
SMILES:
CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2C)cc1 |(74.83,-5.42,;73.5,-6.2,;72.16,-5.45,;70.83,-6.23,;69.48,-5.47,;68.16,-6.26,;68.19,-7.79,;69.52,-8.55,;70.85,-7.77,;72.19,-8.53,;72.2,-10.07,;70.88,-10.85,;73.54,-10.83,;66.86,-8.57,;66.87,-10.11,;65.54,-10.89,;64.21,-10.13,;62.88,-10.91,;61.54,-10.15,;60.21,-10.93,;58.87,-10.17,;58.39,-8.71,;56.85,-8.71,;56.07,-7.39,;56.83,-6.05,;56.05,-4.72,;54.51,-4.74,;53.75,-6.09,;54.54,-7.41,;53.73,-3.41,;54.49,-2.07,;52.19,-3.43,;52.94,-2.07,;56.38,-10.18,;54.92,-10.66,;57.63,-11.08,;57.64,-12.62,;56.31,-13.38,;56.31,-14.91,;57.64,-15.69,;58.98,-14.91,;58.98,-13.37,;60.31,-12.59,;64.19,-8.59,;65.51,-7.81,)|
Structure:
Search PDB for entries with ligand similarity: