null

SMILES CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc(C(N)=O)c(NCC2CC2)c1

InChI Key InChIKey=XGHMJWBQMCKFLJ-UHFFFAOYSA-N

  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 5 hits for monomerid = 50003885   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50003885(CHEMBL3235336)copy SMILEScopy InChI
Affinity DataKi:  17nMAssay Description:Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057HGGPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50003885(CHEMBL3235336)copy SMILEScopy InChI
Affinity DataKi:  19nMAssay Description:Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057HGGPubMed
TargetEndoplasmin(Homo sapiens (Human))
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50003885(CHEMBL3235336)copy SMILEScopy InChI
Affinity DataKi:  2.80E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2057HGGPubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (Human))
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50003885(CHEMBL3235336)copy SMILEScopy InChI
Affinity DataKi:  4.50E+3nMAssay 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 Article
BindingDB Entry DOI: 10.7270/Q2057HGGPubMed
TargetHeat shock protein HSP 90-beta(Homo sapiens (Human))
Vertex Pharmaceuticals , 11010 Torreyana Road, San Diego, California 92121, United States.

Curated by ChEMBL
LigandPNGBDBM50003885(CHEMBL3235336)copy SMILEScopy InChI
Affinity DataIC50: 190nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057HGGPubMed