BDBM50552230 CHEMBL4745825

SMILES COc1cc(\C=C2/Cc3ccc(OC(C)C)cc3C2=O)ccc1O

InChI Key InChIKey=OJMQQBBFGXKAER-UHFFFAOYSA-N

Data  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 2 hits for monomerid = 50552230   

TargetCocaine esterase(Human)
Shanghai University of Traditional Chinese Medicine

Curated by ChEMBL
LigandPNGBDBM50552230(CHEMBL4745825)
Affinity DataIC50: 2.86E+3nMAssay Description:Inhibition of hCES2A in human liver microsome assessed as reduction in fluorescein diacetate hydrolysis preincubated for 10 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetPancreatic triacylglycerol lipase(Pig)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50552230(CHEMBL4745825)
Affinity DataIC50: 8.61E+3nMAssay Description:Inhibition of porcine pancreatic lipase preincubated for 10 mins followed by 4-MUO addition and measured at 60 sec interval for 40 mins by multi plat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed