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BDBM50046958 4-EPI-SCOPADULCIC ACID B

SMILES: [H][C@@]12C[C@@H](OC(=O)c3ccccc3)[C@@]3([H])[C@](C)(CCC[C@]3(C)[C@]11CC[C@](C)(C1)C(=O)C2)C(O)=O

InChI Key: InChIKey=DQBAMWXMUCSBLO-CADUKSBLSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50046958   
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)		BDBM50046958
PNG
(4-EPI-SCOPADULCIC ACID B)
Show SMILES [H][C@@]12C[C@@H](OC(=O)c3ccccc3)[C@@]3([H])[C@](C)(CCC[C@]3(C)[C@]11CC[C@](C)(C1)C(=O)C2)C(O)=O |r|
Show InChI InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18-,19+,21-,24+,25-,26-,27-/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