BDBM50270471 CHEMBL4075556

SMILES c1ccc(cc1)Cn2ccnc2CCc3c(c(cc(c3Cl)O)O)Cl

InChI Key InChIKey=VJODJXMSNZNVSM-UHFFFAOYSA-N

Data  2 KI  2 IC50  1 Kd

PDB links: 1 PDB ID matches 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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50270471   

TargetHeat shock protein HSP 90-alpha(Human)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270471(CHEMBL4075556)
Affinity DataIC50: 6.20E+3nMAssay 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
PubMed
TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270471(CHEMBL4075556)
Affinity DataIC50: 1.20E+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
LigandPNGBDBM50270471(CHEMBL4075556)
Affinity DataKd:  320nMAssay Description:Binding affinity to human N-terminal 6His-tagged HSP90alpha (1 to 236 residues) expressed in Escherichia coli BL21star/Rosetta2 (DE3) at 298 K by ITC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2020
Entry Details Article
PubMed
TargetEndoplasmin(Dog)
Hauptman-Woodward Medical Research Institute

Curated by ChEMBL
LigandPNGBDBM50270471(CHEMBL4075556)
Affinity DataKi:  440nMAssay 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
LigandPNGBDBM50270471(CHEMBL4075556)
Affinity DataKi:  840nMAssay 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
PubMed