Reaction Details Report a problem with these data
Target
Peroxisome proliferator-activated receptor gamma
Ligand
BDBM50166294
Substrate
n/a
Meas. Tech.
ChEMBL_310661 (CHEMBL838008)
EC50
114±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:
BDBM50166294
Synonyms:
(S)-2-{3-Chloro-5-[1-(6-chloro-benzo[d]isoxazol-3-yl)-2-methyl-5-trifluoromethoxy-1H-indol-3-ylmethyl]-phenoxy}-propionic acid | CHEMBL192919
Type:
Small organic molecule
Emp. Form.:
C26H17Cl2F3N2O6
Mol. Mass.:
581.324
SMILES:
C[C@H](Oc1cc(Cl)cc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |wU:1.0,(9.04,3.41,;8.56,1.95,;7.06,1.63,;6.03,2.78,;6.51,4.25,;5.47,5.39,;5.94,6.86,;3.96,5.06,;3.49,3.58,;1.99,3.26,;1.51,1.78,;2.42,.53,;3.96,.53,;1.51,-.71,;1.92,-2.19,;.95,-3.38,;1.8,-4.68,;3.28,-4.28,;4.57,-5.12,;5.94,-4.42,;7.24,-5.24,;6.01,-2.87,;4.73,-2.03,;3.37,-2.75,;.05,-.23,;-1.28,-1.01,;-2.63,-.23,;-2.63,1.3,;-3.98,2.09,;-5.3,1.3,;-6.65,.51,;-6.1,2.64,;-4.51,-.03,;-1.28,2.09,;.05,1.32,;4.52,2.46,;9.61,.81,;9.12,-.66,;11.12,1.13,)|
Structure:
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