BDBM50652104 CHEMBL5639838

SMILES C[C@@H]1[C@]2(O[C@H]3C=C4[C@@H]5CC[C@H]6Cc7nc8c(nc7C[C@]6(C)[C@H]5C[C@@H](O)[C@]4(C)[C@]31O)C[C@@H]1CC[C@H]3C4=C[C@@H]5O[C@@]6(CCC(C)(C)O6)[C@@H](C)[C@@H]5[C@@]4(C)[C@H](O)C[C@@H]3[C@@]1(C)C8)O[C@](C)(CO)C[C@H]2O

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 3 hits for monomerid = 50652104   

TargetHeat shock cognate 71 kDa protein(Human)
The First Affiliated Hospital of Henan University

Curated by ChEMBL
LigandPNGBDBM50652104(CHEMBL5639838)
Affinity DataKd:  625nMAssay Description:Binding affinity to human recombinant full length HSPA8 (42 to 401 residues) expressed in Escherichia coli BL21 (DE3) cells assessed as dissociation ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEndoplasmic reticulum chaperone BiP(Human)
The First Affiliated Hospital of Henan University

Curated by ChEMBL
LigandPNGBDBM50652104(CHEMBL5639838)
Affinity DataKd:  679nMAssay Description:Binding affinity to GRP78 (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetHeat shock 70 kDa protein 1A(Human)
The First Affiliated Hospital of Henan University

Curated by ChEMBL
LigandPNGBDBM50652104(CHEMBL5639838)
Affinity DataKd:  1.63E+3nMAssay Description:Binding affinity to HSPA1A (unknown origin) assessed as dissociation constantMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed