Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50261880
Substrate
n/a
Meas. Tech.
ChEMBL_513558 (CHEMBL979054)
EC50
5010±n/a nM
Citation
 Pingali, H; Jain, M; Shah, S; Makadia, P; Zaware, P; Goel, A; Patel, M; Giri, S; Patel, H; Patel, P Design and synthesis of novel oxazole containing 1,3-dioxane-2-carboxylic acid derivatives as PPAR alpha/gamma dual agonists. Bioorg Med Chem 16:7117-27 (2008) [PubMed]  Article
Target
Name:
Peroxisome proliferator-activated receptor gamma
Synonyms:
NR1C3 | Nuclear receptor subfamily 1 group C member 3 | PPAR-gamma | PPARG | PPARG_HUMAN | Peroxisome proliferator-activated receptor | Peroxisome proliferator-activated receptor gamma (PPAR gamma) | Peroxisome proliferator-activated receptor gamma (PPARG) | Peroxisome proliferator-activated receptor gamma (PPARĪ³) | Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | peroxisome proliferator-activated receptor gamma isoform 2
Type:
Nuclear Receptor
Mol. Mass.:
57613.46
Organism:
Homo sapiens (Human)
Description:
P37231
Residue:
505
Sequence:
MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDLSVMEDHSHSFDIKPFTTVDFSSISTPHYEDIPFTRTDPVVADYKYDLKLQEYQSAIKVEPASPPYYSEKTQLYNKPHEEPSNSLMAIECRVCGDKASGFHYGVHACEGCKGFFRRTIRLKLIYDRCDLNCRIHKKSRNKCQYCRFQKCLAVGMSHNAIRFGRMPQAEKEKLLAEISSDIDQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
  
Inhibitor
Name:
BDBM50261880
Synonyms:
CHEMBL512789 | c-5-[4-{2-(2-tert-Butyl-5-methyloxazol-4-yl)ethoxy}benzyl]-2-methyl-1, 3-dioxane-s-2-carboxylic acid
Type:
Small organic molecule
Emp. Form.:
C23H31NO6
Mol. Mass.:
417.4953
SMILES:
Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)C(C)(C)C |r,wU:17.22,14.14,wD:17.18,(-8.25,-31.91,;-7.94,-30.4,;-8.98,-29.26,;-8.22,-27.92,;-6.71,-28.23,;-6.53,-29.76,;-5.19,-30.52,;-3.86,-29.74,;-2.52,-30.5,;-1.2,-29.72,;.14,-30.49,;1.47,-29.71,;1.46,-28.17,;2.78,-27.39,;4.12,-28.14,;5.44,-27.35,;6.78,-28.12,;6.79,-29.66,;8.25,-29.21,;5.46,-30.44,;4.13,-29.68,;7.28,-31.12,;8.79,-31.43,;6.26,-32.27,;.11,-27.41,;-1.21,-28.19,;-8.86,-26.52,;-9.64,-25.19,;-7.49,-25.81,;-10.22,-27.24,)|
Structure:
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