BDBM50645065 CHEMBL5562891

SMILES COc1ccc(Cn2cncc2-c2cc(C(C)C)c(O)cc2O)cc1

InChI Key

  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 4 hits for monomerid = 50645065   

TargetHeat shock protein HSP 90-alpha(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50645065(CHEMBL5562891)
Affinity DataKd:  260nMAssay Description:Binding affinity to human N-terminal his tagged Hsp90alpha (1 to 241 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50645065(CHEMBL5562891)
Affinity DataKd:  440nMAssay Description:Binding affinity to human N-terminal his tagged Hsp90beta (1 to 239 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation con...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50645065(CHEMBL5562891)
Affinity DataKd:  900nMAssay Description:Binding affinity to human N-terminal his tagged Hsp90alpha (1 to 241 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation co...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetHeat shock protein HSP 90-beta(Human)
Vilnius University

Curated by ChEMBL
LigandPNGBDBM50645065(CHEMBL5562891)
Affinity DataKd:  1.30E+4nMAssay Description:Binding affinity to human N-terminal his tagged Hsp90beta (1 to 239 residues) expressed in Escherichia coli (DE3) strain assessed as dissociation con...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed