BDBM50163308 3-O-Caffeoylquinic Acid::CHEBI:16384::CHEMBL249450

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

InChI Key InChIKey=CWVRJTMFETXNAD-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50163308   

TargetTyrosine-protein phosphatase non-receptor type 1(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50163308(CHEBI:16384 | 3-O-Caffeoylquinic Acid | CHEMBL2494...)
Affinity DataIC50: 3.16E+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
TargetHistone deacetylase(Human)
Sungkyunkwan University

Curated by ChEMBL
LigandPNGBDBM50163308(CHEBI:16384 | 3-O-Caffeoylquinic Acid | CHEMBL2494...)
Affinity DataIC50: 1.70E+5nMAssay 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
LigandPNGBDBM50163308(CHEBI:16384 | 3-O-Caffeoylquinic Acid | CHEMBL2494...)
Affinity DataIC50: 2.00E+5nMAssay 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
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50163308(CHEBI:16384 | 3-O-Caffeoylquinic Acid | CHEMBL2494...)
Affinity DataIC50: 1.12E+6nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetDihydroorotate dehydrogenase (fumarate)(Leishmania major)
University of S£O Paulo

Curated by ChEMBL
LigandPNGBDBM50163308(CHEBI:16384 | 3-O-Caffeoylquinic Acid | CHEMBL2494...)
Affinity DataIC50: 1.13E+6nMAssay Description:Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in Escherichia coli BL21(DE3) cells using DHO as substrate measured...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed