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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50176611'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50176611
PNG
(2-(5-(2-(5-methyl-2-(4-(trifluoromethyl)phenyl)oxa...)
Show SMILES CCC(C1CCc2cc(OCCc3nc(oc3C)-c3ccc(cc3)C(F)(F)F)ccc12)C(O)=O
Show InChI InChI=1S/C26H26F3NO4/c1-3-20(25(31)32)22-10-6-17-14-19(9-11-21(17)22)33-13-12-23-15(2)34-24(30-23)16-4-7-18(8-5-16)26(27,28)29/h4-5,7-9,11,14,20,22H,3,6,10,12-13H2,1-2H3,(H,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 205n/an/an/an/a



Bayer Research Center

Curated by ChEMBL


Assay Description
Activity against PPAR gamma in human by FRET assay


Bioorg Med Chem Lett 16: 297-301 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.008
BindingDB Entry DOI: 10.7270/Q28P6025
More data for this
Ligand-Target Pair