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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 = 'BDBM50046956'   
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


(Mus musculus)
BDBM50046956
PNG
(CHEMBL3314494)
Show SMILES [H][C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](O)C(=C)[C@@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@]2(C)C(O)=O |r|
Show InChI InChI=1S/C27H36O6/c1-17(13-16-28)11-12-20-18(2)21(29)22(33-24(30)19-9-6-5-7-10-19)23-26(20,3)14-8-15-27(23,4)25(31)32/h5-7,9-10,13,20-23,28-29H,2,8,11-12,14-16H2,1,3-4H3,(H,31,32)/b17-13+/t20-,21+,22-,23-,26-,27+/m1/s1
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MMDB

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PC sid
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Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Institute of Chinese Materia Medica

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay


J Nat Prod 77: 1594-600 (2014)


Article DOI: 10.1021/np500150f
BindingDB Entry DOI: 10.7270/Q2D2208C
More data for this
Ligand-Target Pair