Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50166298
Substrate
n/a
Meas. Tech.
ChEMBL_310661 (CHEMBL838008)
EC50
3±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:
BDBM50166298
Synonyms:
(2S)-2-(4-chloro-3-(1-(6-chlorobenzo[d]isoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yloxy)phenoxy)propanoic acid | (S)-2-{4-Chloro-3-[1-(6-chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-propionic acid | CHEMBL363805
Type:
Small organic molecule
Emp. Form.:
C26H17Cl2F3N2O6
Mol. Mass.:
581.324
SMILES:
C[C@H](Oc1ccc(Cl)c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r,wU:1.0,(28.69,2.15,;28.21,.68,;26.71,.36,;25.68,1.51,;26.15,2.97,;25.11,4.12,;23.61,3.79,;22.58,4.93,;23.14,2.33,;21.64,2.01,;21.16,.55,;22.08,-.71,;23.62,-.71,;21.17,-1.96,;21.64,-3.43,;20.75,-4.67,;21.65,-5.92,;23.11,-5.44,;24.44,-6.21,;25.77,-5.44,;27.1,-6.21,;25.76,-3.9,;24.44,-3.14,;23.11,-3.9,;19.69,-1.48,;18.35,-2.26,;17.02,-1.48,;17.02,.06,;15.69,.83,;15.69,2.37,;15.67,3.91,;17.23,2.38,;14.15,2.36,;18.35,.83,;19.69,.07,;24.17,1.18,;29.24,-.46,;30.75,-.14,;28.77,-1.93,)|
Structure:
Search PDB for entries with ligand similarity: