BDBM50270472 CHEMBL4098757

SMILES COC(=O)c1c(cc(c(c1CCc2nccn2Cc3ccccc3)C(=O)OC)O)O

InChI Key InChIKey=RQHNBYGWOOLLIS-UHFFFAOYSA-N

Data  2 KI  2 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50270472   

TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270472(CHEMBL4098757)
Affinity DataIC50: 1.74E+4nMAssay Description:Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270472(CHEMBL4098757)
Affinity DataIC50: 1.00E+5nMAssay Description:Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270472(CHEMBL4098757)
Affinity DataKi:  4.10E+3nMAssay Description:Displacement of FITC-geldanamycin from full length dog GRP94 at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha(Human)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270472(CHEMBL4098757)
Affinity DataKi: >1.30E+4nMAssay Description:Displacement of FITC-geldanamycin from human HSP90alpha at 277 K after 5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)