Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50166293
Substrate
n/a
Meas. Tech.
ChEMBL_306696 (CHEMBL830853)
IC50
33±n/a nM
Citation
 Liu, K; Black, RM; Acton, JJ; Mosley, R; Debenham, S; Abola, R; Yang, M; Tschirret-Guth, R; Colwell, L; Liu, C; Wu, M; Wang, CF; MacNaul, KL; McCann, ME; Moller, DE; Berger, JP; Meinke, PT; Jones, AB; Wood, HB Selective PPARgamma modulators with improved pharmacological profiles. Bioorg Med Chem Lett 15:2437-40 (2005) [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:
BDBM50166293
Synonyms:
(S)-2-{3-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-propionic acid | CHEMBL192646
Type:
Small organic molecule
Emp. Form.:
C26H18ClF3N2O6
Mol. Mass.:
546.879
SMILES:
C[C@H](Oc1cccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |wU:1.0,(13.85,3.3,;13.37,1.84,;11.87,1.53,;10.83,2.67,;11.32,4.14,;10.28,5.27,;8.78,4.95,;8.3,3.48,;6.81,3.15,;6.33,1.67,;7.23,.42,;8.77,.42,;6.33,-.81,;6.74,-2.3,;5.77,-3.48,;6.62,-4.79,;8.09,-4.38,;9.39,-5.21,;10.76,-4.51,;12.04,-5.34,;10.83,-2.97,;9.55,-2.14,;8.19,-2.84,;4.86,-.33,;3.54,-1.12,;2.19,-.33,;2.19,1.2,;.84,1.97,;-.48,1.2,;-1.27,2.53,;.31,-.14,;-1.83,.41,;3.54,1.97,;4.86,1.21,;9.34,2.35,;14.41,.7,;13.92,-.77,;15.92,1.02,)|
Structure:
Search PDB for entries with ligand similarity: