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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 = 'BDBM50314954'   
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))
BDBM50314954
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc(c1)[N+]([O-])=O |r,t:9|
Show InChI InChI=1S/C24H20N2O9/c1-11(27)18-14(28)9-17-24(2,22(18)30)20-15(29)8-16(34-3)19(21(20)35-17)23(31)25-10-12-5-4-6-13(7-12)26(32)33/h4-9,18,29H,10H2,1-3H3,(H,25,31)/t18?,24-/m1/s1
PDB
MMDB

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Reactome pathway
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 2.40E+3n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at PPARgamma assessed as transcriptional activation


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair