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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50529881   

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

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
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Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

Affinity DataIC50: 3.58E+3nMAssay Description:Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

Target[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Jiangsu Normal University

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

Affinity DataIC50: 3.58E+3nMAssay Description:Inhibition of human HSP90 measured after 30 mins by fluorescence polarization assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

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

Curated by ChEMBL

LigandBDBM50529881(CHEMBL4434895)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidSimilars

In Depth
Date in BDB:
2/26/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL