BDBM50505204 CHEBI:4357::Deguelin

SMILES [H][C@@]12COc3cc(OC)c(OC)cc3[C@]1([H])C(=O)c1ccc3OC(C)(C)C=Cc3c1O2

InChI Key InChIKey=ORDAZKGHSNRHTD-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50505204   

TargetAcetylcholinesterase(Human)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50505204(CHEBI:4357 | Deguelin)
Affinity DataIC50: 1.27E+5nMAssay Description:Inhibition of AChE (unknown origin) using acetylthiocholine iodide as substrate by spectrophotometry based Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50505204(CHEBI:4357 | Deguelin)
Affinity DataIC50: 1.63E+3nMAssay Description:Inhibition of FITC-geldanamycin binding to recombinant human full-length C-terminal His-tagged HSP90alpha N-terminal domain (1 to 732 residues) expre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed