BDBM50003865 CHEMBL3235352

SMILES CC(C)Cc1cc(cc2CCNC(=O)c12)-n1cc(C)c2c1CC(C)(C)CC2=O

InChI Key InChIKey=WLNBQNXELZHTAX-UHFFFAOYSA-N

Data  4 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50003865   

TargetHeat shock protein HSP 90-alpha(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003865(CHEMBL3235352)
Affinity DataKi:  20nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

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

Curated by ChEMBL
LigandPNGBDBM50003865(CHEMBL3235352)
Affinity DataKi:  26nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)

TargetHeat shock protein 75 kDa, mitochondrial(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003865(CHEMBL3235352)
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(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003865(CHEMBL3235352)
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 HSP 90-beta(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003865(CHEMBL3235352)
Affinity DataIC50:  222nMAssay 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 ArticlePubMedPDB3D3D Structure (crystal)