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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 = 'BDBM50046959'   
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)
BDBM50046959
PNG
(CHEMBL3314495)
Show SMILES COc1ccc(cc1OC)-c1oc2cc(O)cc(O)c2c(=O)c1O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C32H30O14/c1-41-20-9-6-16(11-21(20)42-2)30-31(27(38)25-19(35)12-18(34)13-22(25)44-30)46-32-29(40)28(39)26(37)23(45-32)14-43-24(36)10-5-15-3-7-17(33)8-4-15/h3-13,23,26,28-29,32-35,37,39-40H,14H2,1-2H3/b10-5+/t23-,26-,28+,29-,32+/m1/s1
PDB
MMDB

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PC cid
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