BDBM50543914 CHEMBL4649689

SMILES [H][C@@]1(O[C@@H]2[C@@H](C)\C=C(C)\[C@H](OC(N)=O)[C@@H](OC)\C=C/C=C(C)/C(=O)NC3=CC(=O)C(NCC=C)=C(C[C@@H](C)C[C@@H]2OC)C3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=HFXJMPSEDMJGBM-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50543914   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Bengbu Medical College

Curated by ChEMBL
LigandPNGBDBM50543914(CHEMBL4649689)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of HSP90 ATPase activity (unknown origin) malachite-green phosphate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed