BDBM50084040 Bavachinin A

SMILES [#6]-[#8]-c1cc2-[#8]-[#6@@H](-[#6]-[#6](=O)-c2cc1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8])cc1

InChI Key InChIKey=DTPBLINXWJKCBA-UHFFFAOYSA-N

Data  1 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50084040   

TargetPeroxisome proliferator-activated receptor gamma(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50084040(Bavachinin A)
Affinity DataKi:  221nMAssay Description:Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50084040(Bavachinin A)
Affinity DataIC50: 617nMAssay Description:Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2016
Entry Details Article
PubMed
TargetLiver carboxylesterase 1(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50084040(Bavachinin A)
Affinity DataIC50: 3.47E+3nMAssay Description:Inhibition of CE1 in human liver microsomes using 2-(2-Benzoyl-3-methoxyphenyl) benzothiazole as substrate preincubated for 10 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2017
Entry Details Article
PubMed
TargetCocaine esterase(Human)
Dalian Institute of Chemical Physics

Curated by ChEMBL
LigandPNGBDBM50084040(Bavachinin A)
Affinity DataIC50: 4.31E+3nMAssay Description:Inhibition of CE2 in human liver microsomes using fluorescein diacetate as substrate preincubated for 10 mins followed by substrate addition measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/7/2017
Entry Details Article
PubMed