Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50362953
Substrate
n/a
Meas. Tech.
ChEMBL_801287 (CHEMBL1947836)
EC50
>50000±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:
BDBM50362953
Synonyms:
CHEMBL1947143
Type:
Small organic molecule
Emp. Form.:
C25H20ClN3O6
Mol. Mass.:
493.896
SMILES:
COc1ccc2c(noc2c1)-n1c2ccccc2n(Cc2ccc(Cl)c(O[C@H](C)C(O)=O)c2)c1=O |r,wU:27.30,(27.1,-12.24,;25.78,-11.45,;24.43,-12.2,;24.41,-13.75,;23.06,-14.49,;21.74,-13.7,;20.27,-14.13,;19.39,-12.88,;20.31,-11.65,;21.77,-12.15,;23.11,-11.41,;19.49,-15.46,;18.02,-15.93,;16.7,-15.15,;15.36,-15.9,;15.34,-17.45,;16.66,-18.23,;18.01,-17.47,;19.48,-17.96,;19.48,-19.5,;20.82,-20.26,;20.82,-21.8,;22.15,-22.56,;23.49,-21.78,;24.82,-22.55,;23.47,-20.24,;24.8,-19.46,;26.14,-20.21,;26.15,-21.75,;27.47,-19.43,;28.81,-20.19,;27.46,-17.89,;22.14,-19.48,;20.39,-16.71,;21.93,-16.72,)|
Structure:
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