BDBM50003894 CHEMBL3235345

SMILES CC(C)Nc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN(CC5)C)C(=O)CC(C4)(C)C

InChI Key InChIKey=SAYWXJCRCITRBW-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 = 50003894   

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

Curated by ChEMBL
LigandPNGBDBM50003894(CHEMBL3235345)
Affinity DataIC50: 73nMAssay 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 Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-beta(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003894(CHEMBL3235345)
Affinity DataKi:  30nMAssay Description:Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003894(CHEMBL3235345)
Affinity DataKi:  37nMAssay Description:Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003894(CHEMBL3235345)
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 Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50003894(CHEMBL3235345)
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 Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed