Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50362974
Substrate
n/a
Meas. Tech.
ChEMBL_801272 (CHEMBL1947821)
EC50
77.5±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:
BDBM50362974
Synonyms:
CHEMBL1946753
Type:
Small organic molecule
Emp. Form.:
C26H19ClF3N3O5
Mol. Mass.:
545.894
SMILES:
C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(C)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(3.59,-34.44,;3.56,-32.9,;2.21,-32.16,;.89,-32.95,;-.45,-32.21,;-1.76,-33.01,;-3.11,-32.26,;-3.13,-30.72,;-4.6,-30.25,;-5.94,-31.03,;-7.28,-30.26,;-7.27,-28.72,;-5.95,-27.94,;-4.61,-28.71,;-3.15,-28.22,;-2.38,-26.89,;-3.28,-25.64,;-2.37,-24.4,;-.91,-24.89,;.42,-24.13,;1.76,-24.9,;3.09,-24.13,;1.75,-26.45,;.41,-27.21,;-.92,-26.43,;-2.23,-29.47,;-.69,-29.46,;-8.61,-31.03,;-9.94,-30.26,;-8.61,-32.57,;-9.96,-31.79,;-1.74,-34.54,;-.4,-35.29,;.92,-34.5,;2.27,-35.25,;4.88,-32.1,;6.23,-32.84,;4.84,-30.56,)|
Structure:
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