BDBM50445478 CHEMBL3104858

SMILES Cc1cn(c2c1C(=O)CC(C2)(C)C)c3cc(c(c(c3)F)C(=O)N)N[C@H]4CCOC4

InChI Key InChIKey=GAGDTKJJVCLACJ-UHFFFAOYSA-N

Data  2 KI  1 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50445478   

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

Curated by ChEMBL
LigandPNGBDBM50445478(CHEMBL3104858)
Affinity DataIC50: 30nMAssay Description:Inhibition of HSP90 in Huntington's disease patient derived fibroblasts assessed as reduction of mHtt level after 48 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)
TargetEndoplasmin(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445478(CHEMBL3104858)
Affinity DataKi:  375nMAssay Description:Binding affinity to human N-terminal polyHis-tagged GRP94 (L69 to N337) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarizat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein 75 kDa, mitochondrial(Human)
Vertex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50445478(CHEMBL3104858)
Affinity DataKi:  1.20E+3nMAssay Description:Binding affinity to human recombinant TRAP1 after 3 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed