Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50166302
Substrate
n/a
Meas. Tech.
ChEMBL_310661 (CHEMBL838008)
EC50
39±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:
BDBM50166302
Synonyms:
(S)-2-{5-[1-(6-Chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-2-propyl-phenoxy}-propionic acid | CHEMBL365315
Type:
Small organic molecule
Emp. Form.:
C29H24ClF3N2O6
Mol. Mass.:
588.959
SMILES:
CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(O)=O |wU:36.41,(13.07,5.11,;11.56,4.8,;11.09,3.32,;9.59,3.02,;8.54,4.16,;7.04,3.84,;6.56,2.36,;5.07,2.04,;4.59,.56,;5.49,-.7,;7.03,-.7,;4.59,-1.93,;5,-3.42,;4.03,-4.6,;4.88,-5.91,;6.35,-5.49,;7.65,-6.33,;9.02,-5.63,;10.31,-6.46,;9.09,-4.09,;7.81,-3.25,;6.45,-3.96,;3.12,-1.45,;1.8,-2.23,;.45,-1.45,;.45,.09,;-.9,.86,;-2.22,.09,;-3.57,-.71,;-3.01,1.42,;-1.43,-1.26,;1.8,.86,;3.12,.09,;7.6,1.23,;9.1,1.56,;10.14,.41,;11.63,.72,;12.11,2.19,;12.68,-.4,;12.19,-1.88,;14.19,-.09,)|
Structure:
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