BDBM50240873 CHEMBL4068596

SMILES Nc1nc(Cl)c2cnn(Cc3cc4OCOc4cc3Br)c2n1

InChI Key InChIKey=BIABSXPPEYWVER-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

  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 5 hits for monomerid = 50240873   

TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Ulsan National Institutes of Science and Technology (Unist)

Curated by ChEMBL
LigandPNGBDBM50240873(CHEMBL4068596)
Affinity DataIC50:  79nMAssay Description:Inhibition of FITC3-labeled PU-H71 binding to recombinant human N-terminal His6-tagged TRAP1 (60 to 561 residues) expressed in Escherichia coli BL21(...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Ulsan National Institutes of Science and Technology (Unist)

Curated by ChEMBL
LigandPNGBDBM50240873(CHEMBL4068596)
Affinity DataIC50:  698nMAssay Description:Inhibition of FITC3-labeled PU-H71 binding to recombinant HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50240873(CHEMBL4068596)
Affinity DataIC50:  448nMAssay Description:Inhibition of PU-H71-FITC3 binding to recombinant N-terminal Grp94 (unknown origin) incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Ulsan National Institutes of Science and Technology (Unist)

Curated by ChEMBL
LigandPNGBDBM50240873(CHEMBL4068596)
Affinity DataIC50:  431nMAssay Description:Inhibition of PU-H71-FITC3 binding to recombinant N-terminal HSP90alpha (unknown origin) incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Ulsan National Institutes of Science and Technology (Unist)

Curated by ChEMBL
LigandPNGBDBM50240873(CHEMBL4068596)
Affinity DataIC50:  143nMAssay Description:Inhibition of PU-H71-FITC3 binding to recombinant full length TRAP1 (unknown origin) incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair