BDBM50529881 CHEMBL4434895

SMILES CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1

InChI Key InChIKey=CJJPIMDYJRXNIG-UHFFFAOYSA-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 = 50529881   

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  890nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  5.90E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  4.90E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  6.90E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataKd:  1.49E+3nMAssay Description:Binding affinity to recombinant human His-tagged PDK1 expressed in Escherichia coli by isothermal calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  6.90E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  5.90E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  3.58E+3nMAssay Description:Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  4.90E+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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataKd:  1.49E+3nMAssay Description:Binding affinity to recombinant human His-tagged PDK1 expressed in Escherichia coli by isothermal calorimetryMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  3.58E+3nMAssay Description:Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial(Homo sapiens (Human))
Jiangsu Normal University

Curated by ChEMBL
LigandPNGBDBM50529881(CHEMBL4434895)
Affinity DataIC50:  890nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed