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BDBM50046955 CHEMBL3314493

SMILES: [H][C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@]3(CO3)[C@@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)C(O)=O

InChI Key: InChIKey=AELDBPDJBONNBN-YEXSUBDNSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046955   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Mus musculus)		BDBM50046955
PNG
(CHEMBL3314493)
Show SMILES [H][C@@]12[C@H](OC(=O)c3ccccc3)[C@@H](OC(C)=O)[C@]3(CO3)[C@@H](CC\C(C)=C\CO)[C@@]1(C)CCC[C@@]2(C)C(O)=O |r|
Show InChI InChI=1S/C29H38O8/c1-18(13-16-30)11-12-21-27(3)14-8-15-28(4,26(33)34)23(27)22(24(36-19(2)31)29(21)17-35-29)37-25(32)20-9-6-5-7-10-20/h5-7,9-10,13,21-24,30H,8,11-12,14-17H2,1-4H3,(H,33,34)/b18-13+/t21-,22-,23+,24+,27+,28+,29-/m0/s1
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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