BDBM50234078 CHEMBL4087666::US9701664, Example 63

SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1

InChI Key InChIKey=KLHOCHQJHXNKAS-UHFFFAOYSA-N

Data  1 KI  9 IC50  2 Kd

  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 12 hits for monomerid = 50234078   

TargetPirin(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataKi:  28nMAssay Description:Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assayMore 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
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  40nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPirin(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataKd:  44nMAssay Description:Binding affinity to recombinant human pirin by surface plasma resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPirin(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataKd:  44nMAssay Description:Binding affinity to recombinant human pirin by surface plasma resonance methodMore 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
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  7nMAssay 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
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  19nMAssay 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
TargetPirin(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  33nMAssay Description:Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPirin(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  33nMAssay Description:Displacement of 6-amino-9-(2-((4-((2-((6-((5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)carbamoyl)quinolin-2-yl)oxy)ethyl)amino)-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  2.90E+3nMAssay Description:Inhibition of recombinant human full length GST-tagged BRAF expressed in baculovirus expression systemMore 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
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  22nMAssay 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
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  40nMAssay Description:Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...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
LigandPNGBDBM50234078(CHEMBL4087666 | US9701664, Example 63)
Affinity DataIC50:  19nMAssay 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