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 Cc1cnc(c(c1OC)C)Cn2cnc3c2nc(nc3Cl)N
InChI Key InChIKey=QULDDKSCVCJTPV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 29 hits for monomerid = 20800
Affinity DataIC50: 30nMAssay Description:Inhibition of Hsp90 assessed as Her2 degradation by cell based assayMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKd: 1.80nMAssay Description:Binding affinity to CM5 sensor chip immobilized human HSP90alpha assessed as dissociation constant by SPR analysisMore data for this Ligand-Target Pair
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 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: 66nMAssay Description:Inhibition of HSP90a (unknown origin)More 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: 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: 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: 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
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: 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: 29nMAssay Description:Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assayMore data for this Ligand-Target Pair
Affinity DataIC50: 5.10nMAssay Description:Inhibition of Hsp90alphaMore 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 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
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(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: 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
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: 1.70nMAssay Description:Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assayMore data for this Ligand-Target Pair
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: 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(Human)
Ulsan National Institutes of Science and Technology (Unist)
Curated by ChEMBL
Ulsan National Institutes of Science and Technology (Unist)
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