Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50362966
Substrate
n/a
Meas. Tech.
ChEMBL_801271 (CHEMBL1947820)
IC50
6935±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:
BDBM50362966
Synonyms:
CHEMBL1947141
Type:
Small organic molecule
Emp. Form.:
C26H17F3N4O6
Mol. Mass.:
538.4316
SMILES:
COc1ccc2c(noc2c1)-n1c2ccc(cc2n(-c2cccc(c2)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F |r,wD:25.29,c:33,(28.73,6.01,;27.4,6.8,;26.06,6.05,;26.04,4.5,;24.68,3.75,;23.36,4.55,;21.9,4.11,;21.01,5.37,;21.94,6.6,;23.39,6.1,;24.74,6.84,;21.12,2.79,;19.65,2.32,;18.32,3.1,;16.98,2.34,;16.96,.8,;18.29,.01,;19.64,.78,;21.1,.29,;21.11,-1.25,;19.78,-2.02,;19.78,-3.56,;21.12,-4.32,;22.46,-3.54,;22.44,-2,;23.79,-4.3,;23.78,-2.76,;25.26,-3.82,;26.17,-5.07,;27.71,-5.06,;25.26,-6.31,;23.8,-5.84,;22.55,-6.75,;22.02,1.53,;23.56,1.52,;15.62,.05,;14.3,.83,;15.6,-1.49,;14.27,-.69,)|
Structure:
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