Reaction Details  Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50362952
Substrate
n/a
Meas. Tech.
ChEMBL_801285 (CHEMBL1947834)
EC50
3240±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:
BDBM50362952
Synonyms:
CHEMBL1946570
Type:
Small organic molecule
Emp. Form.:
C25H16Cl2F3N3O5
Mol. Mass.:
566.313
SMILES:
C[C@@H](Oc1cc(Cn2c3cc(ccc3n(-c3noc4cc(Cl)ccc34)c2=O)C(F)(F)F)ccc1Cl)C(O)=O |r,wU:1.0,(27.23,-4.76,;27.19,-3.22,;25.85,-2.48,;24.53,-3.27,;23.18,-2.53,;21.88,-3.33,;20.53,-2.58,;20.5,-1.04,;19.03,-.57,;17.69,-1.35,;16.36,-.58,;16.36,.96,;17.69,1.74,;19.03,.97,;20.49,1.46,;21.25,2.79,;20.35,4.04,;21.27,5.28,;22.73,4.79,;24.07,5.55,;25.4,4.77,;26.73,5.54,;25.39,3.22,;24.04,2.46,;22.71,3.24,;21.4,.21,;22.94,.22,;15.03,-1.35,;13.69,-.58,;15.02,-2.89,;13.68,-2.11,;21.89,-4.86,;23.24,-5.61,;24.56,-4.82,;25.91,-5.57,;28.51,-2.42,;29.86,-3.16,;28.48,-.88,)|
Structure:
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