BDBM50163307 3,5-Dicaffeoylquinic Acid Methyl Ester::CHEBI:66708::CHEMBL463337

SMILES COC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key InChIKey=VEBNYMXKXIIGFX-UHFFFAOYSA-N

Data  3 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 = 50163307   

TargetHistone deacetylase(Human)
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50163307(CHEBI:66708 | 3,5-Dicaffeoylquinic Acid Methyl Est...)
Affinity DataIC50: 4.99E+3nMAssay Description:Inhibition of HDAC in human HeLa nuclear extract using fluor de lys as substrate after 10 to 15 mins by spectrofluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2017
Entry Details Article
PubMed
TargetHistone deacetylase(Human)
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50163307(CHEBI:66708 | 3,5-Dicaffeoylquinic Acid Methyl Est...)
Affinity DataIC50: 7.59E+3nMAssay Description:Inhibition of HDAC in human HeLa cells using Boc-Lys(AC)-AMC as substrate after 24 to 48 hrs by spectrofluorometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/9/2017
Entry Details Article
PubMed
TargetTyrosine-protein phosphatase non-receptor type 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50163307(CHEBI:66708 | 3,5-Dicaffeoylquinic Acid Methyl Est...)
Affinity DataIC50: 4.27E+4nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed