BDBM50505209 CHEMBL4550657

SMILES CC1(C)Oc2ccc3C(=O)CC(Oc3c2C=C1)c1ccc(O)cc1

InChI Key InChIKey=AXHFLNLBMFDETO-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50505209   

TargetCholinesterase(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505209(CHEMBL4550657)
Affinity DataIC50: 1.15E+4nMAssay Description:Inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by spectrophotometry based Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCholinesterase(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505209(CHEMBL4550657)
Affinity DataIC50: 3.57E+3nMAssay Description:Binding affinity to BChE (unknown origin) assessed as reduction in intrinsic protein fluorescence at 25 degC by fluorescence spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetCholinesterase(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505209(CHEMBL4550657)
Affinity DataKi:  3.73E+3nMAssay Description:Mixed type inhibition of BChE (unknown origin) using butyrylthiocholine iodide as substrate by Ellman's method based Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed