BDBM50667112 CHEMBL6168361

SMILES O=C(NCCCN1CCOCC1)[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(C2CC2)c(O)cc1O

InChI Key InChIKey=XCXDMGICEJTIPU-UHFFFAOYSA-N

Data  3 IC50  1 Kd

  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 = 50667112   

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667112BDBM50667112(CHEMBL6168361)
Affinity DataIC50: 0.130nMAssay Description:Inhibition of Hsp90 (unknown origin) ATPase activity assessed as decrease in absorbance using PEP as substrate in presence of ATP and NADH by absorba...More data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667112BDBM50667112(CHEMBL6168361)
Affinity DataKd:  68nMAssay Description:Binding affinity to Hsp90 (unknown origin) assessed as dissociation constant incubated for 30 mins by fluorescence spectrophotometric analysisMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667112BDBM50667112(CHEMBL6168361)
Affinity DataIC50: 136nMAssay Description:Inhibition of HSP90alpha (unknown origin) incubated for 12 to 16 hrs by FP competition assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed
TargetEndoplasmin(Human)
Dezhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50667112BDBM50667112(CHEMBL6168361)
Affinity DataIC50: 203nMAssay Description:Inhibition of GRP94 (unknown origin) incubated for 12 to 16 hrs by FP competition assayMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
6/6/2026
Entry Details
PubMed