Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50362967
Substrate
n/a
Meas. Tech.
ChEMBL_801272 (CHEMBL1947821)
EC50
17±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:
BDBM50362967
Synonyms:
CHEMBL1947142
Type:
Small organic molecule
Emp. Form.:
C27H18ClF3N4O6
Mol. Mass.:
586.903
SMILES:
COc1ccc2c(noc2c1)-n1c2ccc(cc2n(Cc2cc(ccc2Cl)[C@@]2(C)OC(O)=NC2=O)c1=O)C(F)(F)F |r,wD:27.31,c:35,(5.18,-12.71,;3.86,-11.92,;2.52,-12.67,;2.49,-14.22,;1.14,-14.97,;-.18,-14.17,;-1.65,-14.61,;-2.53,-13.35,;-1.61,-12.12,;-.15,-12.63,;1.19,-11.88,;-2.43,-15.93,;-3.89,-16.4,;-5.22,-15.62,;-6.56,-16.38,;-6.58,-17.92,;-5.25,-18.71,;-3.9,-17.94,;-2.44,-18.43,;-2.43,-19.97,;-1.1,-20.73,;.22,-19.95,;1.56,-20.71,;1.57,-22.26,;.24,-23.03,;-1.1,-22.27,;-2.43,-23.04,;2.88,-19.93,;2.86,-21.47,;2.88,-18.39,;4.35,-17.92,;4.84,-16.46,;5.25,-19.18,;4.34,-20.42,;4.81,-21.88,;-1.53,-17.19,;.01,-17.2,;-7.92,-18.67,;-9.25,-17.89,;-7.94,-20.21,;-9.28,-19.42,)|
Structure:
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