BDBM50240873 CHEMBL4068596

SMILES c1c(c(cc2c1OCO2)Br)Cn3c4c(cn3)c(nc(n4)N)Cl

InChI Key InChIKey=BIABSXPPEYWVER-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50240873   

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

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240873BDBM50240873(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
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240873BDBM50240873(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
In Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240873BDBM50240873(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 Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetEndoplasmin(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240873BDBM50240873(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 Depth
Date in BDB:
8/21/2022
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Ewha Womans University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50240873BDBM50240873(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 Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMed