Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50267989
Substrate
n/a
Meas. Tech.
ChEMBL_520073 (CHEMBL940694)
EC50
3±n/a nM
Citation
 Acton, JJ; Akiyama, TE; Chang, CH; Colwell, L; Debenham, S; Doebber, T; Einstein, M; Liu, K; McCann, ME; Moller, DE; Muise, ES; Tan, Y; Thompson, JR; Wong, KK; Wu, M; Xu, L; Meinke, PT; Berger, JP; Wood, HB Discovery of (2R)-2-(3-{3-[(4-Methoxyphenyl)carbonyl]-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl}phenoxy)butanoic acid (MK-0533): a novel selective peroxisome proliferator-activated receptor gamma modulator for the treatment of type 2 diabetes mellitus with a reduced potential to increase plasma a J Med Chem 52:3846-54 (2009) [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:
BDBM50267989
Synonyms:
(2S)-2-(4-chloro-3-((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid | CHEMBL519060
Type:
Small organic molecule
Emp. Form.:
C28H22ClF3N2O6
Mol. Mass.:
574.932
SMILES:
COc1ccc2c(noc2c1)-c1c(C)n(Cc2cc(O[C@@H](C)C(O)=O)ccc2Cl)c2cc(OC(F)(F)F)ccc12 |r,wU:20.22,(26.73,-43.65,;26.71,-42.11,;25.37,-41.35,;25.35,-39.81,;24.02,-39.06,;22.71,-39.84,;21.24,-39.37,;20.34,-40.62,;21.26,-41.86,;22.72,-41.37,;24.05,-42.13,;20.75,-37.92,;21.65,-36.65,;23.19,-36.64,;20.73,-35.4,;21.2,-33.94,;22.71,-33.61,;23.74,-34.74,;25.24,-34.41,;26.28,-35.55,;27.78,-35.22,;28.25,-33.76,;28.82,-36.36,;30.32,-36.03,;28.35,-37.83,;25.71,-32.95,;24.66,-31.8,;23.16,-32.14,;22.12,-31.01,;19.26,-35.89,;17.92,-35.13,;16.6,-35.9,;15.26,-35.13,;15.26,-33.59,;15.25,-32.05,;16.8,-33.58,;13.72,-33.6,;16.59,-37.44,;17.92,-38.22,;19.27,-37.44,)|
Structure:
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