Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50362962
Substrate
n/a
Meas. Tech.
ChEMBL_801271 (CHEMBL1947820)
IC50
3657±n/a nM
Citation
 Liu, W; Lau, F; Liu, K; Wood, HB; Zhou, G; Chen, Y; Li, Y; Akiyama, TE; Castriota, G; Einstein, M; Wang, C; McCann, ME; Doebber, TW; Wu, M; Chang, CH; McNamara, L; McKeever, B; Mosley, RT; Berger, JP; Meinke, PT Benzimidazolones: a new class of selective peroxisome proliferator-activated receptor¿ (PPAR¿) modulators. J Med Chem 54:8541-54 (2011) [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:
BDBM50362962
Synonyms:
CHEMBL1946955
Type:
Small organic molecule
Emp. Form.:
C27H22F3N3O6
Mol. Mass.:
541.4753
SMILES:
CC[C@@H](Oc1cccc(Cn2c3cc(ccc3n(-c3noc4cc(OC)ccc34)c2=O)C(F)(F)F)c1)C(O)=O |r,wU:2.2,(27.46,-36.83,;26.11,-36.09,;26.07,-34.55,;24.73,-33.8,;23.41,-34.6,;23.44,-36.15,;22.12,-36.94,;20.77,-36.19,;20.76,-34.66,;19.41,-33.91,;19.38,-32.37,;17.91,-31.9,;16.57,-32.68,;15.24,-31.91,;15.24,-30.36,;16.57,-29.59,;17.91,-30.36,;19.37,-29.87,;20.13,-28.54,;19.23,-27.29,;20.14,-26.05,;21.61,-26.54,;22.94,-25.78,;24.27,-26.55,;25.61,-25.78,;26.94,-26.56,;24.27,-28.1,;22.92,-28.86,;21.59,-28.08,;20.28,-31.12,;21.82,-31.11,;13.91,-32.68,;12.57,-31.91,;13.9,-34.22,;12.56,-33.44,;22.06,-33.86,;27.39,-33.75,;28.74,-34.49,;27.36,-32.21,)|
Structure:
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