BDBM50003868 CHEMBL3235353

SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1cc2CCNC(=O)c2c(c1)C1CCCC1

InChI Key InChIKey=AMWZXPSBURRZMG-UHFFFAOYSA-N

Data  4 KI  6 IC50

PDB links: 1 PDB ID matches 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 10 hits for monomerid = 50003868   

TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataKi:  5nMAssay Description:Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataKi:  5nMAssay Description:Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 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
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of FITC-geldanamycin from recombinant TRAP1 (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of FITC-geldanamycin from recombinant GRP94 (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FITC-GDA binding to human TRAP1 incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataIC50:  24nMAssay Description:Inhibition of HSP90 in HEK cells expressing full-length mHtt Q73 gene assessed as reduction of mHtt level after 24 hrs by Western blot analysisMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataIC50:  5nMAssay Description:Inhibition of FITC-GDA binding to human HSP90-beta incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataIC50:  5nMAssay Description:Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
TargetEndoplasmin(Canis familiaris)
The University Of Notre Dame

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of FITC-GDA binding to dog GRP94 incubated for 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003868(CHEMBL3235353)
Affinity DataIC50:  6nMAssay 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