BDBM50401333 CHEMBL1230584

SMILES Cc1cnc(c(c1OC)C)Cn2cc(c3c2nc(nc3Cl)N)C#CCC(C)(C)O

InChI Key InChIKey=VOASEWXFCTZRDF-UHFFFAOYSA-N

Data  3 KI  1 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50401333   

TargetHeat shock protein HSP 90-alpha(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50401333(CHEMBL1230584)
Affinity DataEC50:  14nMAssay Description:Inhibition of HSP90alpha in human MCF7 cells assessed as degradation of Her-2More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50401333(CHEMBL1230584)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of Hsp90alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50401333(CHEMBL1230584)
Affinity DataKi:  0.200nMAssay Description:Binding affinity at recombinant Hsp90alpha incubated for 16 hrs by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetEndoplasmin(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50401333(CHEMBL1230584)
Affinity DataKi:  61nMAssay Description:Binding affinity at Grp94 incubated for 16 hrs by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50401333(CHEMBL1230584)
Affinity DataKi:  255nMAssay Description:Binding affinity at TRAP1 incubated for 16 hrs by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed