BDBM20800 2-amino-6-halopurine analogue, 20::6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine::CHEMBL467399::hsp90_107
SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
InChI Key InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 28 hits for monomerid = 20800
Affinity DataKi: 1.70nMAssay Description:Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assayMore data for this Ligand-Target Pair
3D Structure (crystal)TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
Affinity DataKi: 1.70nMAssay Description:Inhibition of recombinant His-tagged full length human HSP90 (9 to 236 residues) expressed in Escherichia coli BL21(DE3) cells after 18 hrs by fluore...More data for this Ligand-Target Pair
Affinity DataKi: 1.70nMAssay Description:Inhibition of HSP90alphaMore data for this Ligand-Target Pair
Affinity DataKi: 1.70nMAssay Description:Binding affinity to HSP90 by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataKi: 13nMAssay Description:Binding affinity to HSP90 under reducing conditions in presence of TECPMore data for this Ligand-Target Pair
Affinity DataKi: 26nMAssay Description:Binding affinity to HSP90 under non-reducing conditions in absence of TECPMore data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals
Curated by ChEMBL
Vertex Pharmaceuticals
Curated by ChEMBL
Affinity DataKi: 62nMAssay Description:Binding affinity to human recombinant TRAP1 after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataKi: 176nMAssay Description:Binding affinity to human N-terminal polyHis-tagged GRP94 (L69 to N337) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarizat...More data for this Ligand-Target Pair
Affinity DataIC50: 30nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore data for this Ligand-Target Pair
Affinity DataEC50: 38nMAssay Description:Inhibition of HSP90alpha in human MCF7 cells assessed as degradation of Her-2More data for this Ligand-Target Pair
Affinity DataIC50: 5.10nMAssay Description:Inhibition of Hsp90alphaMore data for this Ligand-Target Pair
Affinity DataIC50: 29nMAssay Description:Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals
Curated by ChEMBL
Vertex Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 535nMAssay 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
Affinity DataIC50: 52nMAssay 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: 66nMAssay Description:Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysisMore data for this Ligand-Target Pair
Affinity DataIC50: 5.68E+4nMAssay Description:Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...More data for this Ligand-Target Pair
Affinity DataIC50: 66nMAssay Description:Inhibition of HSP90a (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of HDAC in human HeLa cell nuclear extract using fluorescence substrate incubated for 30 mins by fluorescence based assayMore data for this Ligand-Target Pair
Affinity DataIC50: 38nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cellsMore data for this Ligand-Target Pair
Affinity DataIC50: 7nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradationMore data for this Ligand-Target Pair
Affinity DataIC50: 124nMAssay 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(Homo sapiens (Human))
Vertex Pharmaceuticals
Curated by ChEMBL
Vertex Pharmaceuticals
Curated by ChEMBL
Affinity DataIC50: 90nMAssay 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 DataIC50: 140nMAssay Description:Binding affinity to Hsp90 nucleotide binding domain in human BT474 cellsMore data for this Ligand-Target Pair
Affinity DataKd: 1.70nMAssay Description:Binding affinity to Hsp90 nucleotide binding domainMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
China Pharmaceutical University
Curated by ChEMBL
China Pharmaceutical University
Curated by ChEMBL
Affinity DataIC50: 1.05E+5nMAssay Description:Inhibition of HSP90 (unknown origin) assessed as competition of fluorescently labelled geldanamycin binding after 2 hrs by microplate reader analysisMore data for this Ligand-Target Pair
Affinity DataEC50: 30nMpH: 7.2 T: 2°CAssay Description:EC50 was defined as the concentration of the compound at which there was 50% degradation of the Her-2/neu protein in MCF7 breast carcinoma cells. Sam...More data for this Ligand-Target Pair