BDBM20926 5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide::Isoxazole, 40f::VER-52296/NVP-AUY922

SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key InChIKey=NDAZATDQFDPQBD-UHFFFAOYSA-N

Data  6 KI  25 IC50  1 Kd  2 EC50

PDB links: 4 PDB IDs match 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 33 hits for monomerid = 20926   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKi:  0.0640nMAssay Description:Binding affinity to HSP90 under reducing conditions in presence of TECPMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKi:  0.0690nMAssay Description:Binding affinity to HSP90 under non-reducing conditions in absence of TECPMore data for this Ligand-Target Pair
TargetEndoplasmin(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKi:  4nMAssay 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
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKi:  8.20nMAssay Description:Inhibition of HSP90betaMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKi:  9nMAssay Description:Inhibition of HSP90alphaMore data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKi:  16nMAssay Description:Binding affinity to human recombinant TRAP1 after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  85nMAssay Description:Binding affinity to HSP90beta (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  59nMAssay Description:Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataKd:  1.70nMAssay Description:Binding affinity to Hsp90 nucleotide binding domainMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  31nMAssay Description:Binding affinity to Hsp90 nucleotide binding domain in human BT474 cellsMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  61nMAssay Description:Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  38nMAssay 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
In DepthDetails ArticlePubMed
TargetEndoplasmin(Canis familiaris)
Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  12nMAssay 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
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  7nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradationMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  7nMAssay Description:Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cellsMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  21nMAssay Description:Inhibition of HSP90betaMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  7.80nMAssay Description:Inhibition of HSP90alphaMore data for this Ligand-Target Pair
TargetEndoplasmin(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  85nMAssay Description:Inhibition of Grp94More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  535nMAssay Description:Inhibition of TRAP1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataEC50:  7nMAssay Description:Inhibition of HSP90alpha in human MCF7 cells assessed as degradation of Her-2More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  22nMAssay Description:Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to recombinant Hsp90alpha (unknown origin) after 1 hr by fluorescence polarizat...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  12nMAssay Description:Inhibition of FITC-labeled geldanamycin binding to recombinant HSP90alpha (unknown origin) after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHistidine kinase(Caulobacter vibrioides)
Williams College

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  7.30E+3nMAssay Description:Inhibition of recombinant Caulobacter vibrioides cell cycle histidine kinase CckA deltaTM mutant DHp domain (70 to 691 residues) expressed in Escheri...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  12nMAssay Description:Inhibition of recombinant human full length HSP90 alpha expressed in Escherichia coli cells after 1 hr by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  12nMAssay Description:Inhibition of HSP90 (unknown origin) assessed as HER2 degradation by cell-based assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Seoul National University

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  500nMAssay Description:Inhibition of HSP90 ATPase activity (unknown origin)More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  25nMAssay Description:Inhibition of HSP90alpha (unknown origin) after 16 hrs by FP enzymatic assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  8nMAssay Description:Displacement of GM-BODIPY from human full length HSP90 alpha expressed in baculovirus-infected Sf9 cells after 16 hrs by fluorescence polarization as...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  7nMAssay Description:Inhibition of HSP90 in Huntington's disease patient derived fibroblasts assessed as reduction of mHtt level after 48 hrs by Western blot analysisMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  61nMAssay Description:Displacement of GM-FITC from full-length recombinant human Hsp90-alpha after 4 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  4.30E+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
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  21nM EC50:  16nMAssay Description:The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...More data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM20926(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Affinity DataIC50:  61nMAssay Description:Displacement of GM-FTC from Hsp90-alpha (unknown origin) after 4 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair