BDBM50529879 CHEMBL4434775

SMILES C[C@H]1CCc2c(C1)sc1nc(SCCN3CCCC3)n(N)c(=O)c21

InChI Key InChIKey=JWIHJQJNIKCKKN-NSHDSACASA-N

Data  10 IC50  2 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50529879   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  1.47E+4nMAssay Description:Inhibition of recombinant human His-tagged PDK4 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  1.47E+4nMAssay Description:Inhibition of recombinant human His-tagged PDK4 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to recombinant human His-tagged PDK1 expressed in Escherichia coli by isothermal calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  8.30E+3nMAssay Description:Inhibition of recombinant human His-tagged PDK3 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of recombinant human His-tagged PDK1 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to recombinant human His-tagged PDK1 expressed in Escherichia coli by isothermal calorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  8.30E+3nMAssay Description:Inhibition of recombinant human His-tagged PDK3 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  5.90E+3nMAssay Description:Inhibition of recombinant human His-tagged PDK1 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  1.05E+4nMAssay Description:Inhibition of recombinant human His-tagged PDK2 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529879(CHEMBL4434775)
Affinity DataIC50:  1.05E+4nMAssay Description:Inhibition of recombinant human His-tagged PDK2 expressed in Escherichia coli using PDH E1 as substrate measured after 30 mins by Kinase-Glo luminesc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed