Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor delta
Ligand
BDBM50508151
Substrate
n/a
Meas. Tech.
ChEMBL_1832146 (CHEMBL4332154)
IC50
610±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:
Homo sapiens (Human)
Description:
Q03181
Residue:
441
Sequence:
MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSSPPSLLDQLQMGCDGASCGSLNMECRVCGDKASGFHYGVHACEGCKGFFRRTIRMKLEYEKCERSCKIQKKNRNKCQYCRFQKCLALGMSHNAIRFGRMPEAEKRKLVAGLTANEGSQYNPQVADLKAFSKHIYNAYLKNFNMTKKKARSILTGKASHTAPFVIHDIETLWQAEKGLVWKQLVNGLPPYKEISVHVFYRCQCTTVETVRELTEFAKSIPSFSSLFLNDQVTLLKYGVHEAIFAMLASIVNKDGLLVANGSGFVTREFLRSLRKPFSDIIEPKFEFAVKFNALELDDSDLALFIAAIILCGDRPGLMNVPRVEAIQDTILRALEFHLQANHPDAQYLFPKLLQKMADLRQLVTEHAQMMQRIKKTETETSLHPLLQEIYKDMY
  
Inhibitor
Name:
BDBM50508151
Synonyms:
CHEMBL4449183
Type:
Small organic molecule
Emp. Form.:
C37H38FN3O4
Mol. Mass.:
607.7137
SMILES:
CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(C)(C)C)c(=O)n2-c2ccccc2F)cc1 |(51.36,-4.13,;50.04,-4.92,;48.69,-4.16,;47.37,-4.95,;46.02,-4.19,;44.7,-4.98,;44.72,-6.5,;46.06,-7.27,;47.38,-6.49,;48.72,-7.25,;48.74,-8.79,;47.41,-9.57,;50.08,-9.54,;43.39,-7.29,;43.41,-8.83,;42.08,-9.61,;40.74,-8.84,;39.41,-9.62,;38.07,-8.87,;36.74,-9.65,;35.4,-8.89,;34.92,-7.42,;33.38,-7.43,;32.6,-6.1,;33.37,-4.77,;32.59,-3.44,;31.05,-3.45,;30.29,-4.8,;31.07,-6.12,;30.26,-2.13,;31.02,-.79,;28.72,-2.14,;29.48,-.79,;32.91,-8.9,;31.45,-9.38,;34.17,-9.79,;34.17,-11.33,;35.51,-12.1,;35.51,-13.65,;34.18,-14.42,;32.84,-13.65,;32.84,-12.1,;31.51,-11.33,;40.72,-7.31,;42.04,-6.53,)|
Structure:
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