BDBM50180302 8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)adenine::8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9-(3-(isopropylamino)propyl)-9H-purin-6-amine::8-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-9-[3-(ISOPROPYLAMINO)PROPYL]-9H-PURIN-6-AMINE::CHEMBL200102::US10336757, Compound PU-H71::US10676476, Example 9
SMILES CC(C)NCCCn1c2c(c(ncn2)N)nc1Sc3cc4c(cc3I)OCO4
InChI Key InChIKey=SUPVGFZUWFMATN-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 31 hits for monomerid = 50180302
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 257nMAssay 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
3D Structure (crystal)TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 132nMAssay 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
Affinity DataIC50: 73nMAssay 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
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 192nMAssay 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
Affinity DataIC50: 301nMAssay Description:Inhibition of GRP94 (unknown origin)More data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 331nMAssay Description:Inhibition of TRAP1 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: 126nMAssay Description:Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 675nMAssay Description:Inhibition of PU-H71-FITC binding to recombinant wild-type human TRAP1 expressed in Escherichia coli BL21 (DE3) measured after 2 hrs by fluorescence ...More data for this Ligand-Target Pair
TargetReceptor tyrosine-protein kinase erbB-2(Human)
Sloan-Kettering Institute For Cancer Research
US Patent
Sloan-Kettering Institute For Cancer Research
US Patent
Affinity DataIC50: 100nMAssay Description:The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...More data for this Ligand-Target Pair
Affinity DataEC50: 10nMAssay Description:The biochemical assay tests competitive binding of compounds to recombinant Hsp90α protein and also Hsp90 found in cell specific complexes, and ...More data for this Ligand-Target Pair
Affinity DataIC50: 60nMAssay Description:Inhibition of Hsp90 in human MCF7 cells assessed as Her2 level after 24 hrs by Western blotMore data for this Ligand-Target Pair
Affinity DataIC50: 43nMAssay Description:Inhibition of Hsp90 in human MCF7 cell lysates assessed as interaction with Cy3b-conjugated geldanamycin by FP assayMore data for this Ligand-Target Pair
Affinity DataEC50: 30.8nMAssay Description:The assay buffer (HFB) contained 20 mM HEPES (K) pH 7.3, 50 mM KCl, 5 mM MgCl2, 20 mM Na2MoO4, 0.01% NP40. Before each use, 0.1 mg/mL bovine gamma gl...More data for this Ligand-Target Pair
Affinity DataIC50: 89nMAssay 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
Affinity DataIC50: 26nMAssay Description:Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 51nMAssay Description:Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataEC50: 50nMAssay Description:Inhibition of Hsp90 in human SKBR3 cells assessed as Her2 degradationMore data for this Ligand-Target Pair
Affinity DataIC50: 30nMAssay Description:Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...More data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 205nMAssay Description:Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...More data for this Ligand-Target Pair
Affinity DataEC50: 59.6nMAssay Description:Displacement of cy3B-GM from Hsp90alphaMore data for this Ligand-Target Pair
Affinity DataEC50: 16.1nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
Affinity DataEC50: 6.00E+3nMAssay Description:Binding affinity to Hsp90 in heart tissueMore data for this Ligand-Target Pair
Affinity DataEC50: 2.20E+3nMAssay Description:Binding affinity to Hsp90 in lung tissueMore data for this Ligand-Target Pair
Affinity DataEC50: 10.2nMAssay Description:Inhibitory activity against Hsp90 in human breast cancer MDA-MB-468 cell lineMore data for this Ligand-Target Pair
Affinity DataIC50: 50nMAssay Description:Inhibition of Her2 degradation in human breast cancer SKBr3 cell lineMore data for this Ligand-Target Pair
Affinity DataIC50: 42nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90beta (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Affinity DataIC50: 205nMAssay Description:Displacement of PU-FITC3 from recombinant TRAP-1 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 43nMAssay Description:Displacement of Cy3B-GM from recombinant Hsp90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair