BDBM50135164 3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester::CHEMBL126142

SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1

InChI Key InChIKey=LSHVYAFMTMFKBA-UHFFFAOYSA-N

Data  1 KI  4 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 = 50135164   

TargetBeta-secretase 1(Human)
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50135164(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of human Beta-secretase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetPyruvate kinase PKM(Human)
National Institute of Pharmaceutical Education and Research Ahmedabad

Curated by ChEMBL
LigandPNGBDBM50135164(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)
Affinity DataIC50: 850nMAssay Description:Inhibition of PKM2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50135164(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)
Affinity DataIC50: 2.40E+3nMAssay Description:Inhibition of human BACE-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetAmyloid-beta precursor protein(Human)
Tehran University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50135164(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of amyloid beta (unknown origin) aggregationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMed
TargetBeta-secretase 1(Human)
Kyungpook National University

Curated by ChEMBL
LigandPNGBDBM50135164(3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...)
Affinity DataKi:  5.30E+3nMAssay Description:Inhibitory activity against recombinant human Beta-secretase 1More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed