BDBM50234083 CHEMBL4070302::US9701664, Example 81

SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C

InChI Key InChIKey=CTUDBAMAFBXVJK-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50234083   

TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234083(CHEMBL4070302 | US9701664, Example 81)
Affinity DataIC50:  115nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234083(CHEMBL4070302 | US9701664, Example 81)
Affinity DataIC50:  44nMAssay Description:The cell titre blue viability (Promega, USA) assay provides a homogenous, fluorometric method for estimating the number of viable cells. It uses the ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234083(CHEMBL4070302 | US9701664, Example 81)
Affinity DataIC50:  100nMAssay Description:U2OS cells (5-8×104 cells/mL) or SK-OV-3 cells (5-8×104 cells/mL) were seeded into 96-well plates and incubated at 37° C. for 48 h. Compounds were th...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetHeat shock factor protein 1(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234083(CHEMBL4070302 | US9701664, Example 81)
Affinity DataIC50:  120nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed