BDBM50458513 Alpha Tocopherol::Aquasol E::CHEBI:18145::E307::Tocopherol::Vitamin E

SMILES Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C

InChI Key InChIKey=GVJHHUAWPYXKBD-UHFFFAOYSA-N

Data  1 IC50  1 Kd  1 EC50

PDB links: 9 PDB IDs match this monomer.

  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 3 hits for monomerid = 50458513   

TargetGlutathione S-transferase P(Human)
Monash University

Curated by ChEMBL
LigandPNGBDBM50458513(CHEBI:18145 | Alpha Tocopherol | Aquasol E | E307 ...)
Affinity DataIC50: 500nMAssay Description:Inhibition of human GSTP1-1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCatalase(Rat)
Sri Venkateswara University

Curated by ChEMBL
LigandPNGBDBM50458513(CHEBI:18145 | Alpha Tocopherol | Aquasol E | E307 ...)
Affinity DataEC50:  3.43E+3nMAssay Description:Inhibition of catalase in Wistar rat brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMed
TargetAlpha-tocopherol transfer protein(Human)
Universidad De La Rep£Blica

Curated by ChEMBL
LigandPNGBDBM50458513(CHEBI:18145 | Alpha Tocopherol | Aquasol E | E307 ...)
Affinity DataKd:  2.42E+3nMAssay Description:Displacement of NBD-Toc from human recombinant alphaTTPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)