BDBM50482743 CHEMBL1215467

SMILES CC(C)c1cc(c(cc1O)O)C(=O)N2Cc3ccccc3C2

InChI Key InChIKey=DPKGPEGXWFTAIR-UHFFFAOYSA-N

Data  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50482743   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482743(CHEMBL1215467)
Affinity DataKd:  0.540nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Fujian Medical University (FMU)

Curated by ChEMBL
LigandPNGBDBM50482743(CHEMBL1215467)
Affinity DataIC50: 4nMAssay Description:Inhibition of HSP90beta (unknown origin) incubated for 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Fujian Medical University (FMU)

Curated by ChEMBL
LigandPNGBDBM50482743(CHEMBL1215467)
Affinity DataIC50: 5.50E+3nMAssay Description:Inhibition of 6His-tagged human HSP90alpha N-terminal domain (1 to 223 residues) expressed in Escherichia coli BL21 DE3 cells incubated for 24 hrs by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMedPDB3D3D Structure (crystal)