BDBM50401333 CHEMBL1230584

SMILES COc1c(C)cnc(Cn2cc(C#CCC(C)(C)O)c3c(Cl)nc(N)nc23)c1C

InChI Key InChIKey=VOASEWXFCTZRDF-UHFFFAOYSA-N

Data  3 KI  1 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50401333   

TargetHeat shock protein HSP 90-alpha(Homo sapiens (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
TargetEndoplasmin(Homo sapiens (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 DepthDetails ArticlePubMed
TargetHeat shock protein 75 kDa, mitochondrial(Homo sapiens (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 DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (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
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
Biogen Idec

Curated by ChEMBL
LigandPNGBDBM50401333(CHEMBL1230584)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of Hsp90alphaMore data for this Ligand-Target Pair